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 16 GLN : amide:sc= -2.33! X(o=-9.1!,f=-9.4) USER MOD Set 1.2: A 60 CYS SG : rot 180:sc= -6.73! USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.55 F(o=-1.5!,f=-0.55) USER MOD Single : A 26 SER OG : rot 41:sc= 0.192 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 151:sc= -0.0464 (180deg=-0.96) USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.968 (180deg=-2.42!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-6!) USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.254) USER MOD Single : A 65 SER OG : rot -90:sc= 0.967 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 77 THR OG1 : rot 87:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -18.253 -6.106 -6.005 1.00 0.00 N ATOM 130 CA THR A 13 -17.967 -6.796 -7.256 1.00 0.00 C ATOM 131 C THR A 13 -16.978 -7.936 -7.042 1.00 0.00 C ATOM 132 O THR A 13 -16.456 -8.121 -5.942 1.00 0.00 O ATOM 133 CB THR A 13 -17.399 -5.830 -8.313 1.00 0.00 C ATOM 134 OG1 THR A 13 -16.342 -5.048 -7.745 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.487 -4.911 -8.847 1.00 0.00 C ATOM 0 HA THR A 13 -18.912 -7.202 -7.616 1.00 0.00 H new ATOM 0 HB THR A 13 -17.008 -6.422 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.986 -4.438 -8.424 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.062 -4.238 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.275 -5.508 -9.305 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.905 -4.327 -8.027 1.00 0.00 H new ATOM 143 N LYS A 14 -16.722 -8.698 -8.099 1.00 0.00 N ATOM 144 CA LYS A 14 -15.793 -9.820 -8.028 1.00 0.00 C ATOM 145 C LYS A 14 -14.362 -9.330 -7.833 1.00 0.00 C ATOM 146 O LYS A 14 -13.686 -9.725 -6.884 1.00 0.00 O ATOM 147 CB LYS A 14 -15.885 -10.666 -9.300 1.00 0.00 C ATOM 148 CG LYS A 14 -17.079 -11.604 -9.323 1.00 0.00 C ATOM 149 CD LYS A 14 -17.157 -12.376 -10.629 1.00 0.00 C ATOM 150 CE LYS A 14 -17.888 -11.584 -11.702 1.00 0.00 C ATOM 151 NZ LYS A 14 -17.907 -12.303 -13.006 1.00 0.00 N ATOM 0 H LYS A 14 -17.145 -8.559 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.068 -10.434 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.938 -10.003 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.972 -11.252 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.010 -12.303 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.996 -11.031 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.150 -12.614 -10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.669 -13.324 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.911 -11.392 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.407 -10.614 -11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.414 -11.731 -13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.931 -12.464 -13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.389 -13.217 -12.891 1.00 0.00 H new ATOM 165 N GLU A 15 -13.909 -8.466 -8.735 1.00 0.00 N ATOM 166 CA GLU A 15 -12.558 -7.922 -8.660 1.00 0.00 C ATOM 167 C GLU A 15 -12.154 -7.667 -7.211 1.00 0.00 C ATOM 168 O GLU A 15 -11.038 -7.988 -6.802 1.00 0.00 O ATOM 169 CB GLU A 15 -12.462 -6.623 -9.463 1.00 0.00 C ATOM 170 CG GLU A 15 -12.058 -6.832 -10.913 1.00 0.00 C ATOM 171 CD GLU A 15 -13.091 -7.617 -11.699 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.222 -8.835 -11.457 1.00 0.00 O ATOM 173 OE2 GLU A 15 -13.769 -7.012 -12.555 1.00 0.00 O ATOM 0 H GLU A 15 -14.457 -8.128 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.874 -8.656 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.426 -6.115 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.739 -5.963 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.906 -5.862 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.104 -7.357 -10.948 1.00 0.00 H new ATOM 180 N GLN A 16 -13.069 -7.089 -6.440 1.00 0.00 N ATOM 181 CA GLN A 16 -12.808 -6.790 -5.037 1.00 0.00 C ATOM 182 C GLN A 16 -12.554 -8.069 -4.246 1.00 0.00 C ATOM 183 O GLN A 16 -11.467 -8.270 -3.706 1.00 0.00 O ATOM 184 CB GLN A 16 -13.985 -6.026 -4.429 1.00 0.00 C ATOM 185 CG GLN A 16 -14.309 -4.730 -5.154 1.00 0.00 C ATOM 186 CD GLN A 16 -15.088 -3.757 -4.291 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.264 -3.973 -3.998 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.435 -2.677 -3.879 1.00 0.00 N ATOM 0 H GLN A 16 -13.998 -6.818 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.914 -6.168 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.866 -6.667 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.762 -5.803 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.382 -4.259 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.885 -4.955 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.460 -2.538 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.908 -1.987 -3.296 1.00 0.00 H new ATOM 197 N ALA A 17 -13.564 -8.930 -4.183 1.00 0.00 N ATOM 198 CA ALA A 17 -13.449 -10.191 -3.460 1.00 0.00 C ATOM 199 C ALA A 17 -12.153 -10.911 -3.815 1.00 0.00 C ATOM 200 O ALA A 17 -11.381 -11.291 -2.934 1.00 0.00 O ATOM 201 CB ALA A 17 -14.648 -11.080 -3.756 1.00 0.00 C ATOM 0 H ALA A 17 -14.471 -8.778 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.430 -9.969 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.549 -12.018 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.562 -10.574 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.693 -11.286 -4.825 1.00 0.00 H new ATOM 207 N ASP A 18 -11.920 -11.097 -5.110 1.00 0.00 N ATOM 208 CA ASP A 18 -10.717 -11.772 -5.581 1.00 0.00 C ATOM 209 C ASP A 18 -9.476 -11.218 -4.887 1.00 0.00 C ATOM 210 O ASP A 18 -8.572 -11.968 -4.519 1.00 0.00 O ATOM 211 CB ASP A 18 -10.580 -11.617 -7.097 1.00 0.00 C ATOM 212 CG ASP A 18 -11.246 -12.747 -7.856 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.472 -12.926 -7.700 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.541 -13.453 -8.608 1.00 0.00 O ATOM 0 H ASP A 18 -12.549 -10.790 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.805 -12.831 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.020 -10.668 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.523 -11.579 -7.362 1.00 0.00 H new ATOM 219 N ALA A 19 -9.440 -9.901 -4.712 1.00 0.00 N ATOM 220 CA ALA A 19 -8.311 -9.248 -4.062 1.00 0.00 C ATOM 221 C ALA A 19 -8.143 -9.741 -2.628 1.00 0.00 C ATOM 222 O ALA A 19 -7.071 -10.211 -2.245 1.00 0.00 O ATOM 223 CB ALA A 19 -8.490 -7.737 -4.085 1.00 0.00 C ATOM 0 H ALA A 19 -10.180 -9.266 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.407 -9.504 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.639 -7.262 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.553 -7.394 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.406 -7.471 -3.558 1.00 0.00 H new ATOM 229 N ILE A 20 -9.207 -9.628 -1.840 1.00 0.00 N ATOM 230 CA ILE A 20 -9.176 -10.063 -0.449 1.00 0.00 C ATOM 231 C ILE A 20 -8.612 -11.474 -0.327 1.00 0.00 C ATOM 232 O ILE A 20 -7.665 -11.711 0.424 1.00 0.00 O ATOM 233 CB ILE A 20 -10.581 -10.027 0.182 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.089 -8.586 0.267 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.557 -10.668 1.562 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.854 -8.142 -0.960 1.00 0.00 C ATOM 0 H ILE A 20 -10.101 -9.239 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.528 -9.368 0.085 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.263 -10.596 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.732 -8.487 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.241 -7.918 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.556 -10.635 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.232 -11.705 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.865 -10.123 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.184 -7.111 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.208 -8.209 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.722 -8.786 -1.100 1.00 0.00 H new ATOM 248 N ARG A 21 -9.197 -12.407 -1.070 1.00 0.00 N ATOM 249 CA ARG A 21 -8.752 -13.795 -1.046 1.00 0.00 C ATOM 250 C ARG A 21 -7.232 -13.880 -1.152 1.00 0.00 C ATOM 251 O ARG A 21 -6.571 -14.457 -0.289 1.00 0.00 O ATOM 252 CB ARG A 21 -9.399 -14.581 -2.187 1.00 0.00 C ATOM 253 CG ARG A 21 -10.874 -14.269 -2.382 1.00 0.00 C ATOM 254 CD ARG A 21 -11.640 -15.487 -2.875 1.00 0.00 C ATOM 255 NE ARG A 21 -12.808 -15.114 -3.670 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.760 -14.867 -4.974 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.609 -14.953 -5.627 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.866 -14.533 -5.628 1.00 0.00 N ATOM 0 H ARG A 21 -9.981 -12.227 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.058 -14.232 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.865 -14.366 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.284 -15.647 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.302 -13.925 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.983 -13.455 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.979 -16.113 -3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.958 -16.085 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.709 -15.039 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.757 -15.209 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.575 -14.763 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.753 -14.466 -5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.829 -14.343 -6.630 1.00 0.00 H new ATOM 272 N ARG A 22 -6.686 -13.302 -2.217 1.00 0.00 N ATOM 273 CA ARG A 22 -5.245 -13.315 -2.437 1.00 0.00 C ATOM 274 C ARG A 22 -4.501 -12.820 -1.200 1.00 0.00 C ATOM 275 O ARG A 22 -3.552 -13.455 -0.739 1.00 0.00 O ATOM 276 CB ARG A 22 -4.884 -12.446 -3.644 1.00 0.00 C ATOM 277 CG ARG A 22 -4.916 -13.196 -4.965 1.00 0.00 C ATOM 278 CD ARG A 22 -3.635 -13.985 -5.189 1.00 0.00 C ATOM 279 NE ARG A 22 -3.669 -14.741 -6.438 1.00 0.00 N ATOM 280 CZ ARG A 22 -2.635 -15.427 -6.910 1.00 0.00 C ATOM 281 NH1 ARG A 22 -1.491 -15.453 -6.240 1.00 0.00 N ATOM 282 NH2 ARG A 22 -2.743 -16.090 -8.054 1.00 0.00 N ATOM 0 H ARG A 22 -7.219 -12.819 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.942 -14.343 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.576 -11.606 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.888 -12.030 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.769 -13.874 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.057 -12.489 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.786 -13.302 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.480 -14.670 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.535 -14.742 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.404 -14.945 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.698 -15.981 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.621 -16.073 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.948 -16.617 -8.415 1.00 0.00 H new ATOM 296 N ILE A 23 -4.938 -11.683 -0.669 1.00 0.00 N ATOM 297 CA ILE A 23 -4.314 -11.104 0.514 1.00 0.00 C ATOM 298 C ILE A 23 -4.277 -12.106 1.663 1.00 0.00 C ATOM 299 O ILE A 23 -3.211 -12.416 2.195 1.00 0.00 O ATOM 300 CB ILE A 23 -5.056 -9.836 0.978 1.00 0.00 C ATOM 301 CG1 ILE A 23 -4.940 -8.736 -0.078 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.503 -9.357 2.312 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.774 -7.512 0.230 1.00 0.00 C ATOM 0 H ILE A 23 -5.721 -11.145 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.295 -10.838 0.234 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.111 -10.078 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.895 -8.440 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.243 -9.138 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.037 -8.461 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.632 -10.138 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.443 -9.129 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.643 -6.774 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.825 -7.794 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.456 -7.085 1.181 1.00 0.00 H new ATOM 315 N ARG A 24 -5.448 -12.612 2.038 1.00 0.00 N ATOM 316 CA ARG A 24 -5.549 -13.580 3.123 1.00 0.00 C ATOM 317 C ARG A 24 -4.950 -14.922 2.711 1.00 0.00 C ATOM 318 O ARG A 24 -4.621 -15.752 3.558 1.00 0.00 O ATOM 319 CB ARG A 24 -7.011 -13.766 3.534 1.00 0.00 C ATOM 320 CG ARG A 24 -7.919 -14.176 2.386 1.00 0.00 C ATOM 321 CD ARG A 24 -9.369 -13.811 2.665 1.00 0.00 C ATOM 322 NE ARG A 24 -10.299 -14.689 1.960 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.698 -15.866 2.430 1.00 0.00 C ATOM 324 NH1 ARG A 24 -10.250 -16.303 3.599 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.547 -16.607 1.730 1.00 0.00 N ATOM 0 H ARG A 24 -6.339 -12.367 1.606 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.986 -13.196 3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.066 -14.522 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.380 -12.835 3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.590 -13.688 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.838 -15.251 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.558 -13.869 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.547 -12.778 2.365 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.662 -14.382 1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.598 -15.735 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.558 -17.207 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.894 -16.273 0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.853 -17.511 2.091 1.00 0.00 H new ATOM 339 N ASN A 25 -4.813 -15.127 1.405 1.00 0.00 N ATOM 340 CA ASN A 25 -4.255 -16.369 0.881 1.00 0.00 C ATOM 341 C ASN A 25 -2.867 -16.136 0.294 1.00 0.00 C ATOM 342 O ASN A 25 -2.352 -16.965 -0.456 1.00 0.00 O ATOM 343 CB ASN A 25 -5.180 -16.958 -0.185 1.00 0.00 C ATOM 344 CG ASN A 25 -6.491 -17.453 0.395 1.00 0.00 C ATOM 345 OD1 ASN A 25 -7.585 -16.794 0.032 1.00 0.00 O flip ATOM 346 ND2 ASN A 25 -6.519 -18.416 1.162 1.00 0.00 N flip ATOM 0 H ASN A 25 -5.080 -14.450 0.691 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.167 -17.076 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.384 -16.202 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.673 -17.783 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.653 -18.893 1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.408 -18.737 1.545 1.00 0.00 H new ATOM 353 N SER A 26 -2.266 -15.002 0.641 1.00 0.00 N ATOM 354 CA SER A 26 -0.938 -14.658 0.145 1.00 0.00 C ATOM 355 C SER A 26 0.145 -15.221 1.060 1.00 0.00 C ATOM 356 O SER A 26 -0.128 -15.628 2.189 1.00 0.00 O ATOM 357 CB SER A 26 -0.790 -13.139 0.034 1.00 0.00 C ATOM 358 OG SER A 26 -1.299 -12.666 -1.200 1.00 0.00 O ATOM 0 H SER A 26 -2.677 -14.306 1.263 1.00 0.00 H new ATOM 0 HA SER A 26 -0.820 -15.100 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.318 -12.658 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.261 -12.865 0.126 1.00 0.00 H new ATOM 0 HG SER A 26 -2.134 -13.134 -1.411 1.00 0.00 H new ATOM 364 N LYS A 27 1.378 -15.240 0.564 1.00 0.00 N ATOM 365 CA LYS A 27 2.505 -15.751 1.334 1.00 0.00 C ATOM 366 C LYS A 27 3.482 -14.631 1.677 1.00 0.00 C ATOM 367 O LYS A 27 4.359 -14.797 2.526 1.00 0.00 O ATOM 368 CB LYS A 27 3.228 -16.851 0.552 1.00 0.00 C ATOM 369 CG LYS A 27 2.298 -17.715 -0.282 1.00 0.00 C ATOM 370 CD LYS A 27 1.518 -18.691 0.584 1.00 0.00 C ATOM 371 CE LYS A 27 2.291 -19.983 0.802 1.00 0.00 C ATOM 372 NZ LYS A 27 2.182 -20.898 -0.368 1.00 0.00 N ATOM 0 H LYS A 27 1.622 -14.907 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 27 2.118 -16.169 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.969 -16.393 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.770 -17.486 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.604 -17.079 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.878 -18.267 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.299 -18.230 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.561 -18.913 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.340 -19.752 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.914 -20.486 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.722 -21.767 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.183 -21.139 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.565 -20.428 -1.213 1.00 0.00 H new ATOM 386 N ASP A 28 3.324 -13.491 1.014 1.00 0.00 N ATOM 387 CA ASP A 28 4.191 -12.342 1.251 1.00 0.00 C ATOM 388 C ASP A 28 3.535 -11.056 0.759 1.00 0.00 C ATOM 389 O ASP A 28 2.612 -11.090 -0.055 1.00 0.00 O ATOM 390 CB ASP A 28 5.538 -12.541 0.555 1.00 0.00 C ATOM 391 CG ASP A 28 6.430 -13.523 1.290 1.00 0.00 C ATOM 392 OD1 ASP A 28 7.048 -13.124 2.299 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.509 -14.691 0.856 1.00 0.00 O ATOM 0 H ASP A 28 2.604 -13.337 0.308 1.00 0.00 H new ATOM 0 HA ASP A 28 4.355 -12.257 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.369 -12.898 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.048 -11.581 0.475 1.00 0.00 H new ATOM 398 N SER A 29 4.018 -9.923 1.259 1.00 0.00 N ATOM 399 CA SER A 29 3.475 -8.625 0.874 1.00 0.00 C ATOM 400 C SER A 29 3.461 -8.471 -0.644 1.00 0.00 C ATOM 401 O SER A 29 2.478 -8.008 -1.223 1.00 0.00 O ATOM 402 CB SER A 29 4.295 -7.498 1.504 1.00 0.00 C ATOM 403 OG SER A 29 4.436 -7.691 2.901 1.00 0.00 O ATOM 0 H SER A 29 4.784 -9.877 1.931 1.00 0.00 H new ATOM 0 HA SER A 29 2.449 -8.566 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.280 -7.456 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.811 -6.540 1.313 1.00 0.00 H new ATOM 0 HG SER A 29 4.965 -6.959 3.281 1.00 0.00 H new ATOM 409 N TRP A 30 4.558 -8.863 -1.282 1.00 0.00 N ATOM 410 CA TRP A 30 4.673 -8.768 -2.733 1.00 0.00 C ATOM 411 C TRP A 30 3.403 -9.267 -3.413 1.00 0.00 C ATOM 412 O TRP A 30 2.960 -8.701 -4.413 1.00 0.00 O ATOM 413 CB TRP A 30 5.878 -9.573 -3.223 1.00 0.00 C ATOM 414 CG TRP A 30 7.113 -9.351 -2.404 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.851 -10.302 -1.758 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.754 -8.097 -2.142 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.911 -9.715 -1.110 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.874 -8.364 -1.331 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.491 -6.776 -2.514 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.728 -7.357 -0.887 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.339 -5.779 -2.073 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.447 -6.073 -1.267 1.00 0.00 C ATOM 0 H TRP A 30 5.380 -9.249 -0.818 1.00 0.00 H new ATOM 0 HA TRP A 30 4.815 -7.719 -2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.627 -10.634 -3.209 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.086 -9.308 -4.260 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.633 -11.360 -1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.612 -10.206 -0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.640 -6.539 -3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.582 -7.582 -0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.145 -4.755 -2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.091 -5.271 -0.939 1.00 0.00 H new ATOM 433 N ASP A 31 2.821 -10.328 -2.866 1.00 0.00 N ATOM 434 CA ASP A 31 1.600 -10.902 -3.420 1.00 0.00 C ATOM 435 C ASP A 31 0.411 -9.973 -3.191 1.00 0.00 C ATOM 436 O ASP A 31 -0.395 -9.748 -4.094 1.00 0.00 O ATOM 437 CB ASP A 31 1.323 -12.269 -2.792 1.00 0.00 C ATOM 438 CG ASP A 31 0.527 -13.176 -3.710 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.494 -12.714 -4.260 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.924 -14.348 -3.876 1.00 0.00 O ATOM 0 H ASP A 31 3.175 -10.809 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 31 1.740 -11.026 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.269 -12.749 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.778 -12.133 -1.858 1.00 0.00 H new ATOM 445 N MET A 32 0.309 -9.439 -1.979 1.00 0.00 N ATOM 446 CA MET A 32 -0.782 -8.535 -1.632 1.00 0.00 C ATOM 447 C MET A 32 -0.804 -7.327 -2.564 1.00 0.00 C ATOM 448 O MET A 32 -1.744 -7.145 -3.339 1.00 0.00 O ATOM 449 CB MET A 32 -0.647 -8.072 -0.181 1.00 0.00 C ATOM 450 CG MET A 32 -1.189 -9.071 0.829 1.00 0.00 C ATOM 451 SD MET A 32 -0.916 -8.552 2.534 1.00 0.00 S ATOM 452 CE MET A 32 0.342 -9.720 3.046 1.00 0.00 C ATOM 0 H MET A 32 0.968 -9.616 -1.221 1.00 0.00 H new ATOM 0 HA MET A 32 -1.721 -9.077 -1.747 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.405 -7.883 0.035 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.172 -7.124 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.257 -9.208 0.662 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.715 -10.039 0.667 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.969 -9.266 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.134 -10.614 3.448 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.957 -9.991 2.188 1.00 0.00 H new ATOM 462 N LEU A 33 0.236 -6.505 -2.483 1.00 0.00 N ATOM 463 CA LEU A 33 0.336 -5.314 -3.319 1.00 0.00 C ATOM 464 C LEU A 33 0.514 -5.691 -4.786 1.00 0.00 C ATOM 465 O LEU A 33 0.127 -4.942 -5.682 1.00 0.00 O ATOM 466 CB LEU A 33 1.506 -4.441 -2.860 1.00 0.00 C ATOM 467 CG LEU A 33 1.628 -4.222 -1.352 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.928 -3.505 -1.020 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.435 -3.437 -0.828 1.00 0.00 C ATOM 0 H LEU A 33 1.022 -6.641 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.592 -4.751 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.432 -4.892 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.418 -3.468 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 33 1.639 -5.196 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.997 -3.358 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.772 -4.106 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.948 -2.537 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.539 -3.291 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.392 -2.467 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.482 -3.990 -1.032 1.00 0.00 H new ATOM 481 N GLY A 34 1.101 -6.861 -5.024 1.00 0.00 N ATOM 482 CA GLY A 34 1.318 -7.319 -6.384 1.00 0.00 C ATOM 483 C GLY A 34 2.507 -6.646 -7.040 1.00 0.00 C ATOM 484 O GLY A 34 2.452 -6.275 -8.212 1.00 0.00 O ATOM 0 H GLY A 34 1.430 -7.499 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.472 -8.398 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.423 -7.126 -6.976 1.00 0.00 H new ATOM 488 N VAL A 35 3.587 -6.486 -6.281 1.00 0.00 N ATOM 489 CA VAL A 35 4.796 -5.852 -6.795 1.00 0.00 C ATOM 490 C VAL A 35 6.035 -6.669 -6.446 1.00 0.00 C ATOM 491 O VAL A 35 6.127 -7.247 -5.363 1.00 0.00 O ATOM 492 CB VAL A 35 4.961 -4.425 -6.240 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.882 -3.508 -6.796 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.929 -4.439 -4.719 1.00 0.00 C ATOM 0 H VAL A 35 3.649 -6.787 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 35 4.691 -5.801 -7.879 1.00 0.00 H new ATOM 0 HB VAL A 35 5.930 -4.040 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.015 -2.504 -6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.957 -3.475 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.900 -3.887 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.047 -3.423 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.976 -4.843 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.742 -5.061 -4.344 1.00 0.00 H new ATOM 504 N LYS A 36 6.988 -6.711 -7.371 1.00 0.00 N ATOM 505 CA LYS A 36 8.225 -7.455 -7.161 1.00 0.00 C ATOM 506 C LYS A 36 8.915 -7.012 -5.875 1.00 0.00 C ATOM 507 O LYS A 36 8.757 -5.881 -5.415 1.00 0.00 O ATOM 508 CB LYS A 36 9.168 -7.262 -8.351 1.00 0.00 C ATOM 509 CG LYS A 36 9.948 -5.960 -8.304 1.00 0.00 C ATOM 510 CD LYS A 36 9.110 -4.790 -8.792 1.00 0.00 C ATOM 511 CE LYS A 36 8.967 -4.801 -10.307 1.00 0.00 C ATOM 512 NZ LYS A 36 7.750 -5.539 -10.743 1.00 0.00 N ATOM 0 H LYS A 36 6.928 -6.239 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 36 7.974 -8.512 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.870 -8.095 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.587 -7.295 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.280 -5.770 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.844 -6.049 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.123 -4.831 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.570 -3.854 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.922 -3.776 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.850 -5.261 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.399 -5.134 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.985 -6.542 -10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.014 -5.458 -10.012 1.00 0.00 H new ATOM 526 N PRO A 37 9.701 -7.922 -5.281 1.00 0.00 N ATOM 527 CA PRO A 37 10.432 -7.647 -4.040 1.00 0.00 C ATOM 528 C PRO A 37 11.572 -6.655 -4.247 1.00 0.00 C ATOM 529 O PRO A 37 12.139 -6.137 -3.287 1.00 0.00 O ATOM 530 CB PRO A 37 10.983 -9.019 -3.642 1.00 0.00 C ATOM 531 CG PRO A 37 11.075 -9.776 -4.921 1.00 0.00 C ATOM 532 CD PRO A 37 9.936 -9.290 -5.773 1.00 0.00 C ATOM 0 HA PRO A 37 9.793 -7.193 -3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.958 -8.930 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.324 -9.519 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.032 -9.599 -5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.001 -10.849 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.195 -9.297 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.052 -9.916 -5.657 1.00 0.00 H new ATOM 540 N GLY A 38 11.902 -6.395 -5.509 1.00 0.00 N ATOM 541 CA GLY A 38 12.972 -5.465 -5.819 1.00 0.00 C ATOM 542 C GLY A 38 12.454 -4.110 -6.258 1.00 0.00 C ATOM 543 O GLY A 38 13.151 -3.364 -6.944 1.00 0.00 O ATOM 0 H GLY A 38 11.447 -6.812 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.607 -5.341 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.597 -5.885 -6.608 1.00 0.00 H new ATOM 547 N ALA A 39 11.226 -3.791 -5.862 1.00 0.00 N ATOM 548 CA ALA A 39 10.615 -2.516 -6.219 1.00 0.00 C ATOM 549 C ALA A 39 11.018 -1.421 -5.238 1.00 0.00 C ATOM 550 O ALA A 39 11.742 -1.673 -4.274 1.00 0.00 O ATOM 551 CB ALA A 39 9.100 -2.653 -6.268 1.00 0.00 C ATOM 0 H ALA A 39 10.635 -4.398 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 39 10.975 -2.232 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.656 -1.694 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.826 -3.400 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.731 -2.963 -5.290 1.00 0.00 H new ATOM 557 N SER A 40 10.545 -0.204 -5.490 1.00 0.00 N ATOM 558 CA SER A 40 10.860 0.931 -4.631 1.00 0.00 C ATOM 559 C SER A 40 9.591 1.528 -4.032 1.00 0.00 C ATOM 560 O SER A 40 8.482 1.079 -4.325 1.00 0.00 O ATOM 561 CB SER A 40 11.617 2.001 -5.421 1.00 0.00 C ATOM 562 OG SER A 40 12.487 2.737 -4.578 1.00 0.00 O ATOM 0 H SER A 40 9.943 0.021 -6.282 1.00 0.00 H new ATOM 0 HA SER A 40 11.492 0.575 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.191 1.530 -6.219 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.907 2.678 -5.896 1.00 0.00 H new ATOM 0 HG SER A 40 12.960 3.413 -5.107 1.00 0.00 H new ATOM 568 N ARG A 41 9.761 2.543 -3.191 1.00 0.00 N ATOM 569 CA ARG A 41 8.630 3.202 -2.549 1.00 0.00 C ATOM 570 C ARG A 41 7.603 3.651 -3.584 1.00 0.00 C ATOM 571 O ARG A 41 6.404 3.421 -3.426 1.00 0.00 O ATOM 572 CB ARG A 41 9.108 4.404 -1.733 1.00 0.00 C ATOM 573 CG ARG A 41 8.028 5.012 -0.853 1.00 0.00 C ATOM 574 CD ARG A 41 8.618 5.960 0.179 1.00 0.00 C ATOM 575 NE ARG A 41 7.599 6.812 0.786 1.00 0.00 N ATOM 576 CZ ARG A 41 6.859 6.445 1.826 1.00 0.00 C ATOM 577 NH1 ARG A 41 7.023 5.248 2.372 1.00 0.00 N ATOM 578 NH2 ARG A 41 5.951 7.276 2.322 1.00 0.00 N ATOM 0 H ARG A 41 10.672 2.927 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 41 8.156 2.484 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.945 4.097 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.483 5.168 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.311 5.549 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.479 4.217 -0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.118 5.383 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.377 6.583 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 41 7.447 7.740 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.719 4.606 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.453 4.969 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.821 8.197 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.383 6.993 3.121 1.00 0.00 H new ATOM 592 N ASP A 42 8.082 4.294 -4.644 1.00 0.00 N ATOM 593 CA ASP A 42 7.207 4.776 -5.706 1.00 0.00 C ATOM 594 C ASP A 42 6.325 3.650 -6.236 1.00 0.00 C ATOM 595 O ASP A 42 5.118 3.822 -6.406 1.00 0.00 O ATOM 596 CB ASP A 42 8.033 5.373 -6.846 1.00 0.00 C ATOM 597 CG ASP A 42 9.287 4.570 -7.134 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.209 3.613 -7.933 1.00 0.00 O ATOM 599 OD2 ASP A 42 10.346 4.899 -6.561 1.00 0.00 O ATOM 0 H ASP A 42 9.072 4.493 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 42 6.564 5.552 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.421 5.422 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.310 6.396 -6.593 1.00 0.00 H new ATOM 604 N GLU A 43 6.937 2.498 -6.496 1.00 0.00 N ATOM 605 CA GLU A 43 6.206 1.345 -7.009 1.00 0.00 C ATOM 606 C GLU A 43 5.263 0.783 -5.949 1.00 0.00 C ATOM 607 O GLU A 43 4.070 0.604 -6.196 1.00 0.00 O ATOM 608 CB GLU A 43 7.181 0.258 -7.467 1.00 0.00 C ATOM 609 CG GLU A 43 7.749 0.496 -8.856 1.00 0.00 C ATOM 610 CD GLU A 43 6.713 0.315 -9.948 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.809 1.170 -10.055 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.806 -0.681 -10.696 1.00 0.00 O ATOM 0 H GLU A 43 7.935 2.339 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 43 5.612 1.674 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.003 0.195 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.671 -0.705 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.156 1.506 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.577 -0.191 -9.029 1.00 0.00 H new ATOM 619 N VAL A 44 5.806 0.508 -4.768 1.00 0.00 N ATOM 620 CA VAL A 44 5.014 -0.033 -3.670 1.00 0.00 C ATOM 621 C VAL A 44 3.807 0.850 -3.376 1.00 0.00 C ATOM 622 O VAL A 44 2.730 0.356 -3.043 1.00 0.00 O ATOM 623 CB VAL A 44 5.856 -0.176 -2.388 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.987 -0.636 -1.227 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.011 -1.139 -2.614 1.00 0.00 C ATOM 0 H VAL A 44 6.791 0.651 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 44 4.671 -1.019 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 44 6.271 0.800 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.599 -0.731 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.197 0.095 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.541 -1.601 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.595 -1.228 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.620 -2.118 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.647 -0.762 -3.415 1.00 0.00 H new ATOM 635 N ASN A 45 3.993 2.160 -3.503 1.00 0.00 N ATOM 636 CA ASN A 45 2.919 3.113 -3.252 1.00 0.00 C ATOM 637 C ASN A 45 1.950 3.165 -4.429 1.00 0.00 C ATOM 638 O ASN A 45 0.734 3.208 -4.246 1.00 0.00 O ATOM 639 CB ASN A 45 3.495 4.506 -2.989 1.00 0.00 C ATOM 640 CG ASN A 45 4.335 4.556 -1.727 1.00 0.00 C ATOM 641 OD1 ASN A 45 4.463 3.561 -1.014 1.00 0.00 O ATOM 642 ND2 ASN A 45 4.910 5.719 -1.446 1.00 0.00 N ATOM 0 H ASN A 45 4.878 2.585 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 45 2.372 2.781 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.104 4.811 -3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.679 5.224 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.486 5.814 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.776 6.517 -2.067 1.00 0.00 H new ATOM 649 N LYS A 46 2.499 3.159 -5.640 1.00 0.00 N ATOM 650 CA LYS A 46 1.685 3.203 -6.849 1.00 0.00 C ATOM 651 C LYS A 46 0.710 2.031 -6.892 1.00 0.00 C ATOM 652 O LYS A 46 -0.482 2.213 -7.137 1.00 0.00 O ATOM 653 CB LYS A 46 2.579 3.182 -8.091 1.00 0.00 C ATOM 654 CG LYS A 46 1.934 3.806 -9.316 1.00 0.00 C ATOM 655 CD LYS A 46 2.084 5.318 -9.317 1.00 0.00 C ATOM 656 CE LYS A 46 0.929 5.993 -10.040 1.00 0.00 C ATOM 657 NZ LYS A 46 1.053 5.871 -11.519 1.00 0.00 N ATOM 0 H LYS A 46 3.504 3.124 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 46 1.111 4.130 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.506 3.711 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.847 2.150 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.388 3.394 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.876 3.545 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.133 5.680 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.024 5.591 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.012 5.548 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.894 7.047 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.247 6.344 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.938 6.318 -11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.060 4.866 -11.785 1.00 0.00 H new ATOM 671 N ALA A 47 1.224 0.830 -6.650 1.00 0.00 N ATOM 672 CA ALA A 47 0.398 -0.370 -6.658 1.00 0.00 C ATOM 673 C ALA A 47 -0.517 -0.415 -5.439 1.00 0.00 C ATOM 674 O ALA A 47 -1.684 -0.792 -5.540 1.00 0.00 O ATOM 675 CB ALA A 47 1.274 -1.614 -6.709 1.00 0.00 C ATOM 0 H ALA A 47 2.209 0.662 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.229 -0.343 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.643 -2.503 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.881 -1.594 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.925 -1.636 -5.835 1.00 0.00 H new ATOM 681 N TYR A 48 0.021 -0.029 -4.287 1.00 0.00 N ATOM 682 CA TYR A 48 -0.746 -0.028 -3.047 1.00 0.00 C ATOM 683 C TYR A 48 -1.974 0.870 -3.167 1.00 0.00 C ATOM 684 O TYR A 48 -3.062 0.516 -2.714 1.00 0.00 O ATOM 685 CB TYR A 48 0.128 0.438 -1.882 1.00 0.00 C ATOM 686 CG TYR A 48 -0.657 1.038 -0.738 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.252 2.288 -0.857 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.805 0.354 0.463 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.969 2.840 0.187 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.522 0.897 1.511 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.102 2.141 1.368 1.00 0.00 C ATOM 692 OH TYR A 48 -2.817 2.687 2.409 1.00 0.00 O ATOM 0 H TYR A 48 0.986 0.287 -4.186 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.081 -1.048 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.705 -0.409 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.843 1.175 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.152 2.837 -1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.351 -0.619 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.423 3.814 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.628 0.351 2.437 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.021 1.990 3.067 1.00 0.00 H new ATOM 702 N ARG A 49 -1.790 2.034 -3.782 1.00 0.00 N ATOM 703 CA ARG A 49 -2.881 2.984 -3.961 1.00 0.00 C ATOM 704 C ARG A 49 -4.037 2.346 -4.725 1.00 0.00 C ATOM 705 O ARG A 49 -5.144 2.216 -4.203 1.00 0.00 O ATOM 706 CB ARG A 49 -2.387 4.226 -4.707 1.00 0.00 C ATOM 707 CG ARG A 49 -1.686 5.235 -3.812 1.00 0.00 C ATOM 708 CD ARG A 49 -1.279 6.479 -4.586 1.00 0.00 C ATOM 709 NE ARG A 49 -2.437 7.250 -5.030 1.00 0.00 N ATOM 710 CZ ARG A 49 -3.047 8.159 -4.278 1.00 0.00 C ATOM 711 NH1 ARG A 49 -2.612 8.409 -3.051 1.00 0.00 N ATOM 712 NH2 ARG A 49 -4.095 8.820 -4.753 1.00 0.00 N ATOM 0 H ARG A 49 -0.896 2.341 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.238 3.279 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.703 3.917 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.235 4.710 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.346 5.516 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.803 4.777 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.645 7.105 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.683 6.189 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.797 7.081 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.807 7.903 -2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.082 9.108 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.433 8.630 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.563 9.518 -4.175 1.00 0.00 H new ATOM 726 N LYS A 50 -3.773 1.949 -5.966 1.00 0.00 N ATOM 727 CA LYS A 50 -4.790 1.324 -6.803 1.00 0.00 C ATOM 728 C LYS A 50 -5.605 0.312 -6.004 1.00 0.00 C ATOM 729 O LYS A 50 -6.836 0.325 -6.039 1.00 0.00 O ATOM 730 CB LYS A 50 -4.138 0.635 -8.004 1.00 0.00 C ATOM 731 CG LYS A 50 -3.301 1.569 -8.860 1.00 0.00 C ATOM 732 CD LYS A 50 -2.381 0.798 -9.792 1.00 0.00 C ATOM 733 CE LYS A 50 -1.334 1.706 -10.418 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.886 2.484 -11.562 1.00 0.00 N ATOM 0 H LYS A 50 -2.862 2.049 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.462 2.105 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.508 -0.180 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.916 0.188 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.957 2.213 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.707 2.219 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.887 -0.001 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.970 0.325 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.951 2.393 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.491 1.106 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.141 3.090 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.229 1.829 -12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.674 3.076 -11.231 1.00 0.00 H new ATOM 748 N LEU A 51 -4.911 -0.563 -5.283 1.00 0.00 N ATOM 749 CA LEU A 51 -5.571 -1.581 -4.474 1.00 0.00 C ATOM 750 C LEU A 51 -6.413 -0.942 -3.374 1.00 0.00 C ATOM 751 O LEU A 51 -7.621 -1.163 -3.294 1.00 0.00 O ATOM 752 CB LEU A 51 -4.534 -2.521 -3.857 1.00 0.00 C ATOM 753 CG LEU A 51 -5.027 -3.926 -3.506 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.589 -4.618 -4.737 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.901 -4.748 -2.896 1.00 0.00 C ATOM 0 H LEU A 51 -3.892 -0.587 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.232 -2.155 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.698 -2.613 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.146 -2.057 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.826 -3.837 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.935 -5.616 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.424 -4.039 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.812 -4.696 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.269 -5.745 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.081 -4.828 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.545 -4.261 -1.988 1.00 0.00 H new ATOM 767 N ALA A 52 -5.766 -0.145 -2.529 1.00 0.00 N ATOM 768 CA ALA A 52 -6.456 0.530 -1.437 1.00 0.00 C ATOM 769 C ALA A 52 -7.802 1.080 -1.894 1.00 0.00 C ATOM 770 O ALA A 52 -8.812 0.928 -1.206 1.00 0.00 O ATOM 771 CB ALA A 52 -5.589 1.649 -0.877 1.00 0.00 C ATOM 0 H ALA A 52 -4.766 0.049 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.641 -0.201 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.116 2.145 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.654 1.232 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.375 2.372 -1.664 1.00 0.00 H new ATOM 777 N VAL A 53 -7.810 1.721 -3.058 1.00 0.00 N ATOM 778 CA VAL A 53 -9.033 2.293 -3.608 1.00 0.00 C ATOM 779 C VAL A 53 -10.095 1.220 -3.820 1.00 0.00 C ATOM 780 O VAL A 53 -11.287 1.464 -3.629 1.00 0.00 O ATOM 781 CB VAL A 53 -8.767 3.008 -4.946 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.058 3.579 -5.513 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.724 4.101 -4.767 1.00 0.00 C ATOM 0 H VAL A 53 -6.983 1.857 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.396 3.021 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.378 2.279 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.850 4.080 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.771 2.771 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.480 4.295 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.548 4.596 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.082 4.831 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.793 3.661 -4.410 1.00 0.00 H new ATOM 793 N LEU A 54 -9.655 0.031 -4.216 1.00 0.00 N ATOM 794 CA LEU A 54 -10.568 -1.082 -4.454 1.00 0.00 C ATOM 795 C LEU A 54 -11.073 -1.663 -3.138 1.00 0.00 C ATOM 796 O LEU A 54 -12.257 -1.974 -2.997 1.00 0.00 O ATOM 797 CB LEU A 54 -9.873 -2.171 -5.273 1.00 0.00 C ATOM 798 CG LEU A 54 -10.731 -3.381 -5.645 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.568 -3.082 -6.879 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.855 -4.604 -5.876 1.00 0.00 C ATOM 0 H LEU A 54 -8.672 -0.187 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.423 -0.705 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.496 -1.722 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.007 -2.523 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.406 -3.593 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.172 -3.954 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.222 -2.233 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.911 -2.844 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.482 -5.456 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.156 -4.403 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.299 -4.830 -4.966 1.00 0.00 H new ATOM 812 N LEU A 55 -10.169 -1.806 -2.175 1.00 0.00 N ATOM 813 CA LEU A 55 -10.523 -2.348 -0.868 1.00 0.00 C ATOM 814 C LEU A 55 -11.016 -1.246 0.064 1.00 0.00 C ATOM 815 O LEU A 55 -11.276 -1.485 1.243 1.00 0.00 O ATOM 816 CB LEU A 55 -9.319 -3.057 -0.245 1.00 0.00 C ATOM 817 CG LEU A 55 -8.500 -3.942 -1.186 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.154 -4.280 -0.564 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.267 -5.211 -1.527 1.00 0.00 C ATOM 0 H LEU A 55 -9.186 -1.554 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.329 -3.068 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.657 -2.302 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.673 -3.671 0.583 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.322 -3.391 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.585 -4.910 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.601 -3.361 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.310 -4.812 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.669 -5.828 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.477 -5.766 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.205 -4.949 -2.016 1.00 0.00 H new ATOM 831 N HIS A 56 -11.145 -0.037 -0.474 1.00 0.00 N ATOM 832 CA HIS A 56 -11.610 1.102 0.308 1.00 0.00 C ATOM 833 C HIS A 56 -12.917 0.773 1.023 1.00 0.00 C ATOM 834 O HIS A 56 -13.791 0.090 0.488 1.00 0.00 O ATOM 835 CB HIS A 56 -11.802 2.323 -0.593 1.00 0.00 C ATOM 836 CG HIS A 56 -11.530 3.625 0.096 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.526 4.512 0.448 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.367 4.187 0.500 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.987 5.564 1.037 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.678 5.392 1.081 1.00 0.00 N ATOM 0 H HIS A 56 -10.934 0.178 -1.448 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.853 1.329 1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.143 2.234 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.824 2.328 -0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.379 3.766 0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.525 6.419 1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.007 6.048 1.481 1.00 0.00 H new ATOM 848 N PRO A 57 -13.056 1.269 2.262 1.00 0.00 N ATOM 849 CA PRO A 57 -14.253 1.040 3.077 1.00 0.00 C ATOM 850 C PRO A 57 -15.471 1.782 2.538 1.00 0.00 C ATOM 851 O PRO A 57 -16.591 1.578 3.006 1.00 0.00 O ATOM 852 CB PRO A 57 -13.857 1.589 4.450 1.00 0.00 C ATOM 853 CG PRO A 57 -12.801 2.600 4.164 1.00 0.00 C ATOM 854 CD PRO A 57 -12.055 2.091 2.962 1.00 0.00 C ATOM 0 HA PRO A 57 -14.543 -0.011 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.710 2.040 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.482 0.798 5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.240 3.578 3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.133 2.718 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.697 2.908 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.183 1.504 3.249 1.00 0.00 H new ATOM 862 N ASP A 58 -15.246 2.643 1.551 1.00 0.00 N ATOM 863 CA ASP A 58 -16.326 3.414 0.948 1.00 0.00 C ATOM 864 C ASP A 58 -16.655 2.889 -0.446 1.00 0.00 C ATOM 865 O ASP A 58 -17.670 3.259 -1.037 1.00 0.00 O ATOM 866 CB ASP A 58 -15.945 4.893 0.872 1.00 0.00 C ATOM 867 CG ASP A 58 -16.035 5.584 2.219 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.699 4.944 3.237 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.443 6.764 2.255 1.00 0.00 O ATOM 0 H ASP A 58 -14.325 2.824 1.152 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.210 3.307 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.929 4.984 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.601 5.398 0.163 1.00 0.00 H new ATOM 874 N LYS A 59 -15.790 2.026 -0.967 1.00 0.00 N ATOM 875 CA LYS A 59 -15.987 1.449 -2.292 1.00 0.00 C ATOM 876 C LYS A 59 -16.136 -0.067 -2.209 1.00 0.00 C ATOM 877 O LYS A 59 -16.613 -0.706 -3.148 1.00 0.00 O ATOM 878 CB LYS A 59 -14.814 1.807 -3.207 1.00 0.00 C ATOM 879 CG LYS A 59 -14.679 3.297 -3.469 1.00 0.00 C ATOM 880 CD LYS A 59 -13.976 3.570 -4.788 1.00 0.00 C ATOM 881 CE LYS A 59 -13.974 5.054 -5.121 1.00 0.00 C ATOM 882 NZ LYS A 59 -13.015 5.812 -4.272 1.00 0.00 N ATOM 0 H LYS A 59 -14.945 1.710 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.905 1.865 -2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.890 1.440 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.935 1.289 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.667 3.756 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.121 3.761 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.950 3.206 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.471 3.017 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.715 5.190 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.977 5.458 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.451 6.706 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.769 5.245 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.153 6.015 -4.818 1.00 0.00 H new ATOM 896 N CYS A 60 -15.728 -0.636 -1.080 1.00 0.00 N ATOM 897 CA CYS A 60 -15.817 -2.077 -0.874 1.00 0.00 C ATOM 898 C CYS A 60 -16.617 -2.398 0.385 1.00 0.00 C ATOM 899 O CYS A 60 -16.108 -2.289 1.501 1.00 0.00 O ATOM 900 CB CYS A 60 -14.418 -2.686 -0.773 1.00 0.00 C ATOM 901 SG CYS A 60 -14.329 -4.418 -1.284 1.00 0.00 S ATOM 0 H CYS A 60 -15.332 -0.121 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.333 -2.510 -1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.734 -2.101 -1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.071 -2.604 0.257 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.106 -4.843 -1.165 1.00 0.00 H new ATOM 907 N VAL A 61 -17.872 -2.793 0.197 1.00 0.00 N ATOM 908 CA VAL A 61 -18.743 -3.130 1.317 1.00 0.00 C ATOM 909 C VAL A 61 -18.580 -4.591 1.720 1.00 0.00 C ATOM 910 O VAL A 61 -19.141 -5.035 2.721 1.00 0.00 O ATOM 911 CB VAL A 61 -20.221 -2.863 0.978 1.00 0.00 C ATOM 912 CG1 VAL A 61 -21.114 -3.914 1.621 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.626 -1.465 1.421 1.00 0.00 C ATOM 0 H VAL A 61 -18.308 -2.888 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.449 -2.492 2.150 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.345 -2.926 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -22.155 -3.709 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.839 -4.901 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.989 -3.885 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.674 -1.294 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.488 -1.370 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.007 -0.728 0.909 1.00 0.00 H new ATOM 923 N ALA A 62 -17.808 -5.333 0.933 1.00 0.00 N ATOM 924 CA ALA A 62 -17.570 -6.745 1.209 1.00 0.00 C ATOM 925 C ALA A 62 -17.095 -6.951 2.644 1.00 0.00 C ATOM 926 O ALA A 62 -16.529 -6.055 3.271 1.00 0.00 O ATOM 927 CB ALA A 62 -16.553 -7.309 0.228 1.00 0.00 C ATOM 0 H ALA A 62 -17.337 -4.980 0.100 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.512 -7.279 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.384 -8.364 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.931 -7.204 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.614 -6.764 0.324 1.00 0.00 H new ATOM 933 N PRO A 63 -17.329 -8.159 3.178 1.00 0.00 N ATOM 934 CA PRO A 63 -16.933 -8.510 4.544 1.00 0.00 C ATOM 935 C PRO A 63 -15.421 -8.628 4.698 1.00 0.00 C ATOM 936 O PRO A 63 -14.854 -8.204 5.704 1.00 0.00 O ATOM 937 CB PRO A 63 -17.601 -9.870 4.768 1.00 0.00 C ATOM 938 CG PRO A 63 -17.759 -10.443 3.403 1.00 0.00 C ATOM 939 CD PRO A 63 -17.998 -9.274 2.488 1.00 0.00 C ATOM 0 HA PRO A 63 -17.233 -7.748 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.988 -10.513 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.565 -9.761 5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.867 -10.995 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.594 -11.143 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.575 -9.446 1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.062 -9.082 2.351 1.00 0.00 H new ATOM 947 N GLY A 64 -14.772 -9.206 3.692 1.00 0.00 N ATOM 948 CA GLY A 64 -13.330 -9.369 3.735 1.00 0.00 C ATOM 949 C GLY A 64 -12.592 -8.088 3.400 1.00 0.00 C ATOM 950 O GLY A 64 -11.469 -7.873 3.855 1.00 0.00 O ATOM 0 H GLY A 64 -15.219 -9.564 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.035 -9.706 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.034 -10.149 3.033 1.00 0.00 H new ATOM 954 N SER A 65 -13.224 -7.235 2.600 1.00 0.00 N ATOM 955 CA SER A 65 -12.618 -5.971 2.199 1.00 0.00 C ATOM 956 C SER A 65 -11.876 -5.329 3.368 1.00 0.00 C ATOM 957 O SER A 65 -10.781 -4.792 3.201 1.00 0.00 O ATOM 958 CB SER A 65 -13.687 -5.013 1.671 1.00 0.00 C ATOM 959 OG SER A 65 -14.359 -4.362 2.736 1.00 0.00 O ATOM 0 H SER A 65 -14.155 -7.396 2.217 1.00 0.00 H new ATOM 0 HA SER A 65 -11.901 -6.177 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.225 -4.270 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.407 -5.564 1.065 1.00 0.00 H new ATOM 0 HG SER A 65 -15.136 -4.894 3.006 1.00 0.00 H new ATOM 965 N GLU A 66 -12.482 -5.390 4.549 1.00 0.00 N ATOM 966 CA GLU A 66 -11.879 -4.814 5.746 1.00 0.00 C ATOM 967 C GLU A 66 -10.516 -5.441 6.025 1.00 0.00 C ATOM 968 O GLU A 66 -9.493 -4.755 6.023 1.00 0.00 O ATOM 969 CB GLU A 66 -12.799 -5.011 6.953 1.00 0.00 C ATOM 970 CG GLU A 66 -12.162 -4.617 8.275 1.00 0.00 C ATOM 971 CD GLU A 66 -12.403 -3.162 8.628 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.423 -2.323 7.703 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.571 -2.862 9.828 1.00 0.00 O ATOM 0 H GLU A 66 -13.388 -5.832 4.703 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.740 -3.747 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.706 -4.424 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.101 -6.057 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.559 -5.250 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.089 -4.802 8.227 1.00 0.00 H new ATOM 980 N ASP A 67 -10.510 -6.747 6.263 1.00 0.00 N ATOM 981 CA ASP A 67 -9.274 -7.468 6.543 1.00 0.00 C ATOM 982 C ASP A 67 -8.234 -7.204 5.459 1.00 0.00 C ATOM 983 O ASP A 67 -7.038 -7.125 5.739 1.00 0.00 O ATOM 984 CB ASP A 67 -9.547 -8.969 6.650 1.00 0.00 C ATOM 985 CG ASP A 67 -8.401 -9.721 7.299 1.00 0.00 C ATOM 986 OD1 ASP A 67 -7.850 -9.215 8.299 1.00 0.00 O ATOM 987 OD2 ASP A 67 -8.057 -10.816 6.808 1.00 0.00 O ATOM 0 H ASP A 67 -11.348 -7.329 6.268 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.881 -7.109 7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.457 -9.130 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.726 -9.375 5.654 1.00 0.00 H new ATOM 992 N ALA A 68 -8.697 -7.069 4.221 1.00 0.00 N ATOM 993 CA ALA A 68 -7.808 -6.812 3.096 1.00 0.00 C ATOM 994 C ALA A 68 -7.098 -5.472 3.251 1.00 0.00 C ATOM 995 O ALA A 68 -5.869 -5.407 3.269 1.00 0.00 O ATOM 996 CB ALA A 68 -8.585 -6.852 1.789 1.00 0.00 C ATOM 0 H ALA A 68 -9.684 -7.134 3.972 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.050 -7.595 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.908 -6.658 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.039 -7.835 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.365 -6.091 1.806 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.880 -4.403 3.363 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.326 -3.063 3.515 1.00 0.00 C ATOM 1004 C PHE A 69 -6.321 -3.017 4.663 1.00 0.00 C ATOM 1005 O PHE A 69 -5.302 -2.330 4.584 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.446 -2.050 3.762 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.973 -0.624 3.773 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.227 -0.119 2.721 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.274 0.211 4.837 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.790 1.192 2.728 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.841 1.523 4.850 1.00 0.00 C ATOM 1012 CZ PHE A 69 -7.097 2.014 3.795 1.00 0.00 C ATOM 0 H PHE A 69 -8.899 -4.439 3.351 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.808 -2.804 2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.207 -2.166 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.923 -2.273 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.984 -0.758 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.854 -0.168 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.210 1.573 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.084 2.164 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.756 3.039 3.804 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.616 -3.752 5.729 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.741 -3.797 6.894 1.00 0.00 C ATOM 1024 C LYS A 70 -4.418 -4.476 6.554 1.00 0.00 C ATOM 1025 O LYS A 70 -3.349 -4.003 6.941 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.426 -4.539 8.044 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.234 -3.633 8.957 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.268 -4.417 9.747 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.654 -5.071 10.975 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.498 -4.105 12.098 1.00 0.00 N ATOM 0 H LYS A 70 -7.456 -4.326 5.810 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.535 -2.772 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.083 -5.304 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.669 -5.054 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.564 -3.117 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.733 -2.867 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.075 -3.751 10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.711 -5.182 9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.282 -5.903 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.681 -5.488 10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.076 -4.589 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.879 -3.324 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.430 -3.726 12.362 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.497 -5.586 5.827 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.305 -6.326 5.432 1.00 0.00 C ATOM 1046 C ALA A 71 -2.405 -5.481 4.538 1.00 0.00 C ATOM 1047 O ALA A 71 -1.200 -5.379 4.771 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.695 -7.616 4.725 1.00 0.00 C ATOM 0 H ALA A 71 -5.374 -5.992 5.500 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.746 -6.574 6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.795 -8.159 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.291 -8.234 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.279 -7.381 3.835 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.996 -4.877 3.512 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.247 -4.040 2.582 1.00 0.00 C ATOM 1056 C VAL A 72 -1.308 -3.097 3.325 1.00 0.00 C ATOM 1057 O VAL A 72 -0.113 -3.037 3.036 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.190 -3.211 1.690 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.391 -2.274 0.796 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.078 -4.125 0.859 1.00 0.00 C ATOM 0 H VAL A 72 -3.992 -4.952 3.304 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.661 -4.711 1.954 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.830 -2.606 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.073 -1.696 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.802 -1.596 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.725 -2.858 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.738 -3.522 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.457 -4.758 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.677 -4.751 1.521 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.857 -2.361 4.287 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.068 -1.421 5.074 1.00 0.00 C ATOM 1072 C VAL A 73 0.125 -2.113 5.724 1.00 0.00 C ATOM 1073 O VAL A 73 1.271 -1.717 5.519 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.920 -0.754 6.171 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -1.052 0.115 7.067 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -3.043 0.062 5.549 1.00 0.00 C ATOM 0 H VAL A 73 -2.845 -2.398 4.540 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.710 -0.655 4.386 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.366 -1.535 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.671 0.578 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.286 -0.500 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.575 0.892 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.635 0.526 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.619 0.836 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.681 -0.591 4.953 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.154 -3.150 6.507 1.00 0.00 N ATOM 1087 CA ASN A 74 0.896 -3.898 7.187 1.00 0.00 C ATOM 1088 C ASN A 74 1.977 -4.337 6.203 1.00 0.00 C ATOM 1089 O ASN A 74 3.156 -4.399 6.548 1.00 0.00 O ATOM 1090 CB ASN A 74 0.306 -5.122 7.892 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.199 -4.799 9.285 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.543 -4.287 10.123 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.468 -5.098 9.538 1.00 0.00 N ATOM 0 H ASN A 74 -1.098 -3.491 6.686 1.00 0.00 H new ATOM 0 HA ASN A 74 1.350 -3.242 7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.514 -5.522 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.064 -5.902 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.864 -4.904 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.046 -5.522 8.813 1.00 0.00 H new ATOM 1100 N ALA A 75 1.564 -4.638 4.976 1.00 0.00 N ATOM 1101 CA ALA A 75 2.496 -5.068 3.941 1.00 0.00 C ATOM 1102 C ALA A 75 3.316 -3.893 3.419 1.00 0.00 C ATOM 1103 O ALA A 75 4.526 -3.825 3.633 1.00 0.00 O ATOM 1104 CB ALA A 75 1.745 -5.739 2.800 1.00 0.00 C ATOM 0 H ALA A 75 0.591 -4.592 4.675 1.00 0.00 H new ATOM 0 HA ALA A 75 3.184 -5.790 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.453 -6.055 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.209 -6.609 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.034 -5.034 2.368 1.00 0.00 H new ATOM 1110 N ARG A 76 2.650 -2.971 2.732 1.00 0.00 N ATOM 1111 CA ARG A 76 3.318 -1.800 2.177 1.00 0.00 C ATOM 1112 C ARG A 76 4.210 -1.137 3.223 1.00 0.00 C ATOM 1113 O ARG A 76 5.436 -1.155 3.111 1.00 0.00 O ATOM 1114 CB ARG A 76 2.287 -0.795 1.660 1.00 0.00 C ATOM 1115 CG ARG A 76 2.903 0.471 1.090 1.00 0.00 C ATOM 1116 CD ARG A 76 2.024 1.685 1.350 1.00 0.00 C ATOM 1117 NE ARG A 76 2.724 2.937 1.077 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.410 4.094 1.648 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.413 4.158 2.519 1.00 0.00 N ATOM 1120 NH2 ARG A 76 3.095 5.191 1.348 1.00 0.00 N ATOM 0 H ARG A 76 1.648 -3.012 2.546 1.00 0.00 H new ATOM 0 HA ARG A 76 3.943 -2.129 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.681 -1.273 0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.614 -0.527 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.886 0.630 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.053 0.352 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.131 1.626 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.690 1.675 2.388 1.00 0.00 H new ATOM 0 HE ARG A 76 3.497 2.922 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.885 3.317 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.174 5.048 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.863 5.145 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.853 6.079 1.787 1.00 0.00 H new ATOM 1134 N THR A 77 3.586 -0.551 4.240 1.00 0.00 N ATOM 1135 CA THR A 77 4.322 0.119 5.304 1.00 0.00 C ATOM 1136 C THR A 77 5.567 -0.670 5.693 1.00 0.00 C ATOM 1137 O THR A 77 6.640 -0.100 5.885 1.00 0.00 O ATOM 1138 CB THR A 77 3.444 0.320 6.554 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.261 1.050 6.209 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.208 1.065 7.638 1.00 0.00 C ATOM 0 H THR A 77 2.572 -0.527 4.349 1.00 0.00 H new ATOM 0 HA THR A 77 4.619 1.094 4.917 1.00 0.00 H new ATOM 0 HB THR A 77 3.166 -0.662 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.571 0.427 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.568 1.195 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.092 0.493 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.512 2.042 7.263 1.00 0.00 H new ATOM 1148 N ALA A 78 5.416 -1.985 5.808 1.00 0.00 N ATOM 1149 CA ALA A 78 6.529 -2.853 6.171 1.00 0.00 C ATOM 1150 C ALA A 78 7.604 -2.849 5.090 1.00 0.00 C ATOM 1151 O ALA A 78 8.779 -2.608 5.369 1.00 0.00 O ATOM 1152 CB ALA A 78 6.034 -4.270 6.420 1.00 0.00 C ATOM 0 H ALA A 78 4.533 -2.473 5.655 1.00 0.00 H new ATOM 0 HA ALA A 78 6.973 -2.468 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.876 -4.907 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.308 -4.264 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.563 -4.655 5.516 1.00 0.00 H new ATOM 1158 N LEU A 79 7.195 -3.118 3.855 1.00 0.00 N ATOM 1159 CA LEU A 79 8.125 -3.146 2.730 1.00 0.00 C ATOM 1160 C LEU A 79 8.912 -1.843 2.642 1.00 0.00 C ATOM 1161 O LEU A 79 10.144 -1.849 2.633 1.00 0.00 O ATOM 1162 CB LEU A 79 7.367 -3.387 1.423 1.00 0.00 C ATOM 1163 CG LEU A 79 6.559 -4.682 1.345 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.703 -4.702 0.088 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.483 -5.891 1.382 1.00 0.00 C ATOM 0 H LEU A 79 6.226 -3.320 3.607 1.00 0.00 H new ATOM 0 HA LEU A 79 8.828 -3.963 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.689 -2.549 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.085 -3.381 0.603 1.00 0.00 H new ATOM 0 HG LEU A 79 5.899 -4.728 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.135 -5.631 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.015 -3.857 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.345 -4.632 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.890 -6.804 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.169 -5.851 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.053 -5.885 2.311 1.00 0.00 H new ATOM 1177 N LEU A 80 8.194 -0.727 2.580 1.00 0.00 N ATOM 1178 CA LEU A 80 8.826 0.585 2.496 1.00 0.00 C ATOM 1179 C LEU A 80 10.001 0.688 3.463 1.00 0.00 C ATOM 1180 O LEU A 80 11.062 1.206 3.116 1.00 0.00 O ATOM 1181 CB LEU A 80 7.805 1.685 2.796 1.00 0.00 C ATOM 1182 CG LEU A 80 6.539 1.677 1.939 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.542 2.705 2.452 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.880 1.943 0.481 1.00 0.00 C ATOM 0 H LEU A 80 7.174 -0.704 2.586 1.00 0.00 H new ATOM 0 HA LEU A 80 9.203 0.714 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.512 1.605 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.295 2.651 2.675 1.00 0.00 H new ATOM 0 HG LEU A 80 6.081 0.690 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.647 2.686 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.274 2.469 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.990 3.698 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.967 1.934 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.361 2.917 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.557 1.169 0.119 1.00 0.00 H new