USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 903 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 Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.18 K(o=-2.2,f=-6.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.205 K(o=-0.2,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -0.397 (180deg=-2.26) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.214 USER MOD Single : A 46 SER OG : rot 180:sc= -0.463 USER MOD Single : A 49 MET CE :methyl -124:sc= -0.18 (180deg=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -162:sc= -1.46 (180deg=-1.8) USER MOD Single : A 60 THR OG1 : rot -88:sc= 0.777 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -70:sc= -3.1 USER MOD Single : A 70 THR OG1 : rot -66:sc= -0.187 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.0843 (180deg=-0.529) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0141) USER MOD Single : A 76 SER OG : rot -72:sc= 0.366 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 83 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-7.6!) USER MOD Single : A 94 ASN : amide:sc= -0.963 K(o=-0.96,f=-8.4!) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.1!) USER MOD Single : A 113 SER OG : rot -53:sc= 0.61 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 124 SER OG : rot 10:sc= -2.53! USER MOD Single : A 126 SER OG : rot 180:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.385 2.144 -16.448 1.00 0.00 N ATOM 157 CA HIS A 14 -13.408 1.124 -16.107 1.00 0.00 C ATOM 158 C HIS A 14 -12.817 1.420 -14.727 1.00 0.00 C ATOM 159 O HIS A 14 -12.733 2.578 -14.319 1.00 0.00 O ATOM 160 CB HIS A 14 -12.340 1.009 -17.197 1.00 0.00 C ATOM 161 CG HIS A 14 -12.877 0.577 -18.540 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.599 -0.591 -18.718 1.00 0.00 N ATOM 163 CD2 HIS A 14 -12.791 1.168 -19.766 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.927 -0.688 -19.998 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.425 0.402 -20.646 1.00 0.00 N ATOM 0 HA HIS A 14 -13.896 0.151 -16.054 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.844 1.973 -17.309 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.581 0.296 -16.874 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.292 2.101 -19.984 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.493 -1.490 -20.449 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.521 0.597 -21.643 1.00 0.00 H new ATOM 173 N PRO A 15 -12.413 0.326 -14.028 1.00 0.00 N ATOM 174 CA PRO A 15 -11.832 0.457 -12.702 1.00 0.00 C ATOM 175 C PRO A 15 -10.396 0.980 -12.782 1.00 0.00 C ATOM 176 O PRO A 15 -9.978 1.785 -11.951 1.00 0.00 O ATOM 177 CB PRO A 15 -11.926 -0.932 -12.093 1.00 0.00 C ATOM 178 CG PRO A 15 -12.126 -1.886 -13.259 1.00 0.00 C ATOM 179 CD PRO A 15 -12.497 -1.060 -14.479 1.00 0.00 C ATOM 0 HA PRO A 15 -12.356 1.185 -12.083 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.020 -1.177 -11.539 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.757 -0.995 -11.390 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.216 -2.456 -13.446 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.912 -2.606 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.814 -1.249 -15.308 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.500 -1.302 -14.831 1.00 0.00 H new ATOM 187 N VAL A 16 -9.681 0.500 -13.788 1.00 0.00 N ATOM 188 CA VAL A 16 -8.301 0.909 -13.987 1.00 0.00 C ATOM 189 C VAL A 16 -8.242 1.975 -15.083 1.00 0.00 C ATOM 190 O VAL A 16 -9.034 1.948 -16.023 1.00 0.00 O ATOM 191 CB VAL A 16 -7.432 -0.313 -14.294 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.863 -1.516 -13.454 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.464 -0.647 -15.787 1.00 0.00 C ATOM 0 H VAL A 16 -10.031 -0.168 -14.474 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.900 1.356 -13.077 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.404 -0.069 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.230 -2.371 -13.691 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.765 -1.275 -12.396 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.902 -1.761 -13.676 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.839 -1.519 -15.978 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.489 -0.862 -16.090 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.087 0.202 -16.358 1.00 0.00 H new ATOM 203 N THR A 17 -7.295 2.889 -14.925 1.00 0.00 N ATOM 204 CA THR A 17 -7.123 3.962 -15.889 1.00 0.00 C ATOM 205 C THR A 17 -5.666 4.429 -15.911 1.00 0.00 C ATOM 206 O THR A 17 -5.120 4.821 -14.881 1.00 0.00 O ATOM 207 CB THR A 17 -8.113 5.075 -15.540 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.367 4.890 -14.150 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.479 4.872 -16.199 1.00 0.00 C ATOM 0 H THR A 17 -6.639 2.908 -14.144 1.00 0.00 H new ATOM 0 HA THR A 17 -7.339 3.622 -16.902 1.00 0.00 H new ATOM 0 HB THR A 17 -7.701 6.036 -15.847 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.999 5.572 -13.839 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.143 5.689 -15.919 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.361 4.855 -17.283 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.907 3.926 -15.866 1.00 0.00 H new ATOM 217 N TRP A 18 -5.078 4.373 -17.098 1.00 0.00 N ATOM 218 CA TRP A 18 -3.695 4.786 -17.268 1.00 0.00 C ATOM 219 C TRP A 18 -3.689 6.116 -18.024 1.00 0.00 C ATOM 220 O TRP A 18 -3.999 6.160 -19.213 1.00 0.00 O ATOM 221 CB TRP A 18 -2.880 3.696 -17.967 1.00 0.00 C ATOM 222 CG TRP A 18 -2.669 2.438 -17.123 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.473 1.371 -17.017 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.543 2.157 -16.266 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.950 0.427 -16.157 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.739 0.920 -15.686 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.396 2.922 -15.990 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.829 0.339 -14.794 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.503 2.327 -15.096 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.320 1.083 -14.504 1.00 0.00 C ATOM 0 H TRP A 18 -5.534 4.048 -17.951 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.214 4.933 -16.301 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.383 3.419 -18.894 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.907 4.104 -18.242 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.412 1.263 -17.539 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.374 -0.468 -15.912 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.222 3.892 -16.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.005 -0.631 -14.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.401 2.873 -14.849 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.062 0.692 -13.823 1.00 0.00 H new ATOM 241 N GLN A 19 -3.331 7.168 -17.302 1.00 0.00 N ATOM 242 CA GLN A 19 -3.280 8.496 -17.890 1.00 0.00 C ATOM 243 C GLN A 19 -1.988 9.208 -17.482 1.00 0.00 C ATOM 244 O GLN A 19 -1.463 8.973 -16.395 1.00 0.00 O ATOM 245 CB GLN A 19 -4.508 9.318 -17.494 1.00 0.00 C ATOM 246 CG GLN A 19 -5.733 8.421 -17.312 1.00 0.00 C ATOM 247 CD GLN A 19 -5.908 8.021 -15.846 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.993 7.550 -15.191 1.00 0.00 O ATOM 249 NE2 GLN A 19 -7.131 8.235 -15.369 1.00 0.00 N ATOM 0 H GLN A 19 -3.074 7.128 -16.316 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.287 8.393 -18.975 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.306 9.856 -16.568 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.711 10.066 -18.260 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.625 8.943 -17.659 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.628 7.527 -17.926 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.851 8.633 -15.972 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.349 8.002 -14.400 1.00 0.00 H new ATOM 258 N PRO A 20 -1.501 10.085 -18.400 1.00 0.00 N ATOM 259 CA PRO A 20 -0.281 10.832 -18.146 1.00 0.00 C ATOM 260 C PRO A 20 -0.528 11.963 -17.145 1.00 0.00 C ATOM 261 O PRO A 20 -1.669 12.373 -16.936 1.00 0.00 O ATOM 262 CB PRO A 20 0.164 11.334 -19.511 1.00 0.00 C ATOM 263 CG PRO A 20 -1.061 11.246 -20.407 1.00 0.00 C ATOM 264 CD PRO A 20 -2.096 10.388 -19.698 1.00 0.00 C ATOM 0 HA PRO A 20 0.497 10.222 -17.687 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.530 12.359 -19.450 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.980 10.727 -19.904 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.461 12.240 -20.606 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.799 10.809 -21.371 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.041 10.919 -19.586 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.307 9.478 -20.259 1.00 0.00 H new ATOM 272 N SER A 21 0.559 12.435 -16.554 1.00 0.00 N ATOM 273 CA SER A 21 0.475 13.510 -15.580 1.00 0.00 C ATOM 274 C SER A 21 0.265 14.847 -16.294 1.00 0.00 C ATOM 275 O SER A 21 0.206 14.897 -17.522 1.00 0.00 O ATOM 276 CB SER A 21 1.732 13.565 -14.710 1.00 0.00 C ATOM 277 OG SER A 21 2.738 14.399 -15.277 1.00 0.00 O ATOM 0 H SER A 21 1.503 12.093 -16.731 1.00 0.00 H new ATOM 0 HA SER A 21 -0.377 13.315 -14.928 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.471 13.935 -13.719 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.127 12.558 -14.580 1.00 0.00 H new ATOM 0 HG SER A 21 3.523 14.409 -14.691 1.00 0.00 H new ATOM 283 N LYS A 22 0.157 15.898 -15.494 1.00 0.00 N ATOM 284 CA LYS A 22 -0.045 17.232 -16.034 1.00 0.00 C ATOM 285 C LYS A 22 0.932 17.464 -17.188 1.00 0.00 C ATOM 286 O LYS A 22 0.523 17.830 -18.289 1.00 0.00 O ATOM 287 CB LYS A 22 0.054 18.280 -14.924 1.00 0.00 C ATOM 288 CG LYS A 22 -1.324 18.850 -14.583 1.00 0.00 C ATOM 289 CD LYS A 22 -1.204 20.252 -13.982 1.00 0.00 C ATOM 290 CE LYS A 22 -0.853 20.183 -12.495 1.00 0.00 C ATOM 291 NZ LYS A 22 0.545 20.615 -12.272 1.00 0.00 N ATOM 0 H LYS A 22 0.206 15.853 -14.476 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.051 17.329 -16.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.496 17.832 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.717 19.086 -15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.939 18.887 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.830 18.190 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.438 20.815 -14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.143 20.789 -14.113 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.531 20.818 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.988 19.165 -12.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.767 20.562 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.189 19.992 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.662 21.594 -12.602 1.00 0.00 H new ATOM 305 N ASP A 23 2.205 17.241 -16.897 1.00 0.00 N ATOM 306 CA ASP A 23 3.244 17.421 -17.897 1.00 0.00 C ATOM 307 C ASP A 23 3.056 16.391 -19.012 1.00 0.00 C ATOM 308 O ASP A 23 2.758 16.751 -20.150 1.00 0.00 O ATOM 309 CB ASP A 23 4.633 17.214 -17.291 1.00 0.00 C ATOM 310 CG ASP A 23 5.730 18.115 -17.864 1.00 0.00 C ATOM 311 OD1 ASP A 23 6.251 17.758 -18.942 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.022 19.139 -17.210 1.00 0.00 O ATOM 0 H ASP A 23 2.541 16.937 -15.983 1.00 0.00 H new ATOM 0 HA ASP A 23 3.167 18.437 -18.284 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.572 17.380 -16.216 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.925 16.174 -17.437 1.00 0.00 H new ATOM 317 N GLY A 24 3.238 15.131 -18.647 1.00 0.00 N ATOM 318 CA GLY A 24 3.093 14.046 -19.603 1.00 0.00 C ATOM 319 C GLY A 24 4.274 13.078 -19.518 1.00 0.00 C ATOM 320 O GLY A 24 4.116 11.879 -19.743 1.00 0.00 O ATOM 0 H GLY A 24 3.485 14.837 -17.702 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.164 13.509 -19.411 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.024 14.453 -20.612 1.00 0.00 H new ATOM 324 N ASP A 25 5.431 13.633 -19.191 1.00 0.00 N ATOM 325 CA ASP A 25 6.639 12.834 -19.073 1.00 0.00 C ATOM 326 C ASP A 25 6.367 11.640 -18.155 1.00 0.00 C ATOM 327 O ASP A 25 6.974 10.582 -18.310 1.00 0.00 O ATOM 328 CB ASP A 25 7.781 13.648 -18.463 1.00 0.00 C ATOM 329 CG ASP A 25 8.775 14.226 -19.473 1.00 0.00 C ATOM 330 OD1 ASP A 25 9.215 13.446 -20.345 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.071 15.434 -19.350 1.00 0.00 O ATOM 0 H ASP A 25 5.558 14.628 -19.004 1.00 0.00 H new ATOM 0 HA ASP A 25 6.925 12.505 -20.072 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.354 14.468 -17.886 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.325 13.014 -17.763 1.00 0.00 H new ATOM 336 N ARG A 26 5.453 11.850 -17.219 1.00 0.00 N ATOM 337 CA ARG A 26 5.093 10.805 -16.276 1.00 0.00 C ATOM 338 C ARG A 26 3.762 10.165 -16.676 1.00 0.00 C ATOM 339 O ARG A 26 2.929 10.805 -17.316 1.00 0.00 O ATOM 340 CB ARG A 26 4.978 11.360 -14.855 1.00 0.00 C ATOM 341 CG ARG A 26 6.322 11.290 -14.129 1.00 0.00 C ATOM 342 CD ARG A 26 6.661 9.850 -13.739 1.00 0.00 C ATOM 343 NE ARG A 26 8.129 9.676 -13.672 1.00 0.00 N ATOM 344 CZ ARG A 26 8.880 10.022 -12.618 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.305 10.564 -11.535 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.205 9.827 -12.645 1.00 0.00 N ATOM 0 H ARG A 26 4.951 12.729 -17.094 1.00 0.00 H new ATOM 0 HA ARG A 26 5.882 10.054 -16.297 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.634 12.394 -14.891 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.230 10.794 -14.299 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.107 11.691 -14.770 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.290 11.914 -13.236 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.214 9.611 -12.774 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.237 9.158 -14.467 1.00 0.00 H new ATOM 0 HE ARG A 26 8.599 9.267 -14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.296 10.713 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.876 10.828 -10.732 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.643 9.415 -13.469 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.776 10.091 -11.842 1.00 0.00 H new ATOM 360 N LEU A 27 3.603 8.910 -16.282 1.00 0.00 N ATOM 361 CA LEU A 27 2.387 8.177 -16.591 1.00 0.00 C ATOM 362 C LEU A 27 1.733 7.711 -15.289 1.00 0.00 C ATOM 363 O LEU A 27 2.296 6.891 -14.565 1.00 0.00 O ATOM 364 CB LEU A 27 2.682 7.040 -17.572 1.00 0.00 C ATOM 365 CG LEU A 27 1.619 6.787 -18.643 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.274 7.391 -18.235 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.084 7.295 -20.009 1.00 0.00 C ATOM 0 H LEU A 27 4.296 8.382 -15.752 1.00 0.00 H new ATOM 0 HA LEU A 27 1.669 8.824 -17.095 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.628 7.252 -18.070 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.821 6.121 -17.002 1.00 0.00 H new ATOM 0 HG LEU A 27 1.475 5.710 -18.732 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.463 7.197 -19.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.059 6.940 -17.300 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.384 8.467 -18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.310 7.103 -20.752 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.275 8.367 -19.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.999 6.778 -20.297 1.00 0.00 H new ATOM 379 N ILE A 28 0.552 8.253 -15.030 1.00 0.00 N ATOM 380 CA ILE A 28 -0.185 7.903 -13.828 1.00 0.00 C ATOM 381 C ILE A 28 -1.135 6.744 -14.137 1.00 0.00 C ATOM 382 O ILE A 28 -2.048 6.885 -14.949 1.00 0.00 O ATOM 383 CB ILE A 28 -0.885 9.135 -13.251 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.018 10.368 -13.332 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.369 8.873 -11.823 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.314 10.150 -12.549 1.00 0.00 C ATOM 0 H ILE A 28 0.087 8.932 -15.632 1.00 0.00 H new ATOM 0 HA ILE A 28 0.496 7.559 -13.050 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.767 9.341 -13.858 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.251 10.585 -14.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.509 11.236 -12.936 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.863 9.765 -11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.072 8.040 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.517 8.627 -11.189 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.938 11.041 -12.623 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.079 9.957 -11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.850 9.296 -12.963 1.00 0.00 H new ATOM 398 N GLY A 29 -0.888 5.625 -13.472 1.00 0.00 N ATOM 399 CA GLY A 29 -1.710 4.443 -13.665 1.00 0.00 C ATOM 400 C GLY A 29 -2.612 4.198 -12.454 1.00 0.00 C ATOM 401 O GLY A 29 -2.174 4.332 -11.312 1.00 0.00 O ATOM 0 H GLY A 29 -0.130 5.512 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.321 4.563 -14.560 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.072 3.575 -13.829 1.00 0.00 H new ATOM 405 N ARG A 30 -3.855 3.844 -12.744 1.00 0.00 N ATOM 406 CA ARG A 30 -4.823 3.579 -11.693 1.00 0.00 C ATOM 407 C ARG A 30 -5.315 2.133 -11.777 1.00 0.00 C ATOM 408 O ARG A 30 -5.512 1.603 -12.869 1.00 0.00 O ATOM 409 CB ARG A 30 -6.021 4.525 -11.797 1.00 0.00 C ATOM 410 CG ARG A 30 -6.124 5.417 -10.558 1.00 0.00 C ATOM 411 CD ARG A 30 -6.937 6.678 -10.857 1.00 0.00 C ATOM 412 NE ARG A 30 -6.591 7.745 -9.890 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.985 9.020 -10.006 1.00 0.00 C ATOM 414 NH1 ARG A 30 -7.741 9.396 -11.046 1.00 0.00 N ATOM 415 NH2 ARG A 30 -6.623 9.920 -9.081 1.00 0.00 N ATOM 0 H ARG A 30 -4.215 3.734 -13.692 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.327 3.743 -10.736 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.923 5.145 -12.688 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.938 3.946 -11.910 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.592 4.863 -9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.125 5.695 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.736 7.018 -11.873 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.003 6.456 -10.800 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.017 7.493 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.017 8.711 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.041 10.367 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.048 9.634 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.923 10.891 -9.169 1.00 0.00 H new ATOM 429 N ILE A 31 -5.500 1.536 -10.608 1.00 0.00 N ATOM 430 CA ILE A 31 -5.965 0.162 -10.535 1.00 0.00 C ATOM 431 C ILE A 31 -6.965 0.027 -9.385 1.00 0.00 C ATOM 432 O ILE A 31 -6.587 0.099 -8.217 1.00 0.00 O ATOM 433 CB ILE A 31 -4.780 -0.801 -10.435 1.00 0.00 C ATOM 434 CG1 ILE A 31 -4.062 -0.929 -11.781 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.222 -2.160 -9.890 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.884 0.044 -11.868 1.00 0.00 C ATOM 0 H ILE A 31 -5.336 1.979 -9.704 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.491 -0.111 -11.450 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.063 -0.388 -9.726 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.705 -1.951 -11.911 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.763 -0.731 -12.592 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.361 -2.825 -9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.652 -2.031 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.969 -2.593 -10.555 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.391 -0.067 -12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.248 1.066 -11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.173 -0.173 -11.071 1.00 0.00 H new ATOM 448 N LEU A 32 -8.222 -0.166 -9.756 1.00 0.00 N ATOM 449 CA LEU A 32 -9.280 -0.312 -8.771 1.00 0.00 C ATOM 450 C LEU A 32 -9.683 -1.784 -8.675 1.00 0.00 C ATOM 451 O LEU A 32 -10.201 -2.353 -9.635 1.00 0.00 O ATOM 452 CB LEU A 32 -10.445 0.626 -9.093 1.00 0.00 C ATOM 453 CG LEU A 32 -11.716 0.425 -8.264 1.00 0.00 C ATOM 454 CD1 LEU A 32 -11.639 1.199 -6.946 1.00 0.00 C ATOM 455 CD2 LEU A 32 -12.962 0.793 -9.073 1.00 0.00 C ATOM 0 H LEU A 32 -8.532 -0.225 -10.726 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.925 -0.014 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.106 1.653 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.700 0.509 -10.146 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.796 -0.632 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.554 1.039 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.785 0.847 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.523 2.262 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.851 0.641 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.904 1.839 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.020 0.162 -9.960 1.00 0.00 H new ATOM 467 N LEU A 33 -9.430 -2.360 -7.509 1.00 0.00 N ATOM 468 CA LEU A 33 -9.760 -3.755 -7.275 1.00 0.00 C ATOM 469 C LEU A 33 -11.110 -3.843 -6.561 1.00 0.00 C ATOM 470 O LEU A 33 -11.363 -3.102 -5.612 1.00 0.00 O ATOM 471 CB LEU A 33 -8.623 -4.458 -6.531 1.00 0.00 C ATOM 472 CG LEU A 33 -7.304 -4.591 -7.293 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.541 -4.582 -8.805 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.309 -3.511 -6.862 1.00 0.00 C ATOM 0 H LEU A 33 -9.000 -1.885 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.865 -4.285 -8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.432 -3.916 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.961 -5.456 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.861 -5.555 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.587 -4.678 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.187 -5.417 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.018 -3.645 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.380 -3.629 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.731 -2.526 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.107 -3.607 -5.795 1.00 0.00 H new ATOM 486 N ASN A 34 -11.941 -4.755 -7.043 1.00 0.00 N ATOM 487 CA ASN A 34 -13.259 -4.949 -6.462 1.00 0.00 C ATOM 488 C ASN A 34 -13.453 -6.431 -6.133 1.00 0.00 C ATOM 489 O ASN A 34 -13.513 -7.267 -7.033 1.00 0.00 O ATOM 490 CB ASN A 34 -14.359 -4.533 -7.440 1.00 0.00 C ATOM 491 CG ASN A 34 -15.743 -4.681 -6.805 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.508 -5.576 -7.123 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.020 -3.755 -5.891 1.00 0.00 N ATOM 0 H ASN A 34 -11.727 -5.368 -7.830 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.325 -4.335 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.205 -3.499 -7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.301 -5.145 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.919 -3.767 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.334 -3.033 -5.672 1.00 0.00 H new ATOM 500 N LYS A 35 -13.547 -6.710 -4.842 1.00 0.00 N ATOM 501 CA LYS A 35 -13.734 -8.076 -4.383 1.00 0.00 C ATOM 502 C LYS A 35 -15.223 -8.423 -4.420 1.00 0.00 C ATOM 503 O LYS A 35 -15.592 -9.565 -4.689 1.00 0.00 O ATOM 504 CB LYS A 35 -13.090 -8.273 -3.009 1.00 0.00 C ATOM 505 CG LYS A 35 -11.659 -7.732 -2.991 1.00 0.00 C ATOM 506 CD LYS A 35 -11.498 -6.641 -1.931 1.00 0.00 C ATOM 507 CE LYS A 35 -10.219 -6.850 -1.119 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.217 -5.813 -1.455 1.00 0.00 N ATOM 0 H LYS A 35 -13.497 -6.013 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.227 -8.774 -5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.684 -7.765 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.085 -9.333 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.962 -8.545 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.406 -7.331 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.472 -5.663 -2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.361 -6.646 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.447 -6.812 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.809 -7.839 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.270 -6.242 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.440 -5.403 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.236 -5.065 -0.733 1.00 0.00 H new ATOM 522 N ARG A 36 -16.040 -7.416 -4.146 1.00 0.00 N ATOM 523 CA ARG A 36 -17.481 -7.600 -4.144 1.00 0.00 C ATOM 524 C ARG A 36 -17.905 -8.475 -5.325 1.00 0.00 C ATOM 525 O ARG A 36 -17.818 -8.054 -6.478 1.00 0.00 O ATOM 526 CB ARG A 36 -18.208 -6.257 -4.227 1.00 0.00 C ATOM 527 CG ARG A 36 -18.367 -5.634 -2.838 1.00 0.00 C ATOM 528 CD ARG A 36 -18.804 -4.171 -2.941 1.00 0.00 C ATOM 529 NE ARG A 36 -20.262 -4.061 -2.717 1.00 0.00 N ATOM 530 CZ ARG A 36 -20.911 -2.901 -2.544 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.234 -1.745 -2.568 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.236 -2.897 -2.347 1.00 0.00 N ATOM 0 H ARG A 36 -15.731 -6.470 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.752 -8.089 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.652 -5.578 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.189 -6.398 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.103 -6.198 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.423 -5.698 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.269 -3.570 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.548 -3.775 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.808 -4.922 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.225 -1.748 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.728 -0.862 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.752 -3.777 -2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.729 -2.014 -2.215 1.00 0.00 H new ATOM 546 N LEU A 37 -18.356 -9.678 -4.998 1.00 0.00 N ATOM 547 CA LEU A 37 -18.795 -10.616 -6.018 1.00 0.00 C ATOM 548 C LEU A 37 -19.799 -9.925 -6.942 1.00 0.00 C ATOM 549 O LEU A 37 -20.213 -8.796 -6.682 1.00 0.00 O ATOM 550 CB LEU A 37 -19.331 -11.895 -5.373 1.00 0.00 C ATOM 551 CG LEU A 37 -18.361 -12.643 -4.457 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.101 -13.295 -3.288 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.533 -13.658 -5.249 1.00 0.00 C ATOM 0 H LEU A 37 -18.427 -10.024 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.954 -10.927 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.221 -11.642 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.647 -12.573 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.665 -11.919 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.387 -13.820 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.609 -12.527 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.835 -14.004 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.851 -14.176 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.198 -14.382 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.959 -13.139 -6.017 1.00 0.00 H new ATOM 565 N LYS A 38 -20.161 -10.631 -8.003 1.00 0.00 N ATOM 566 CA LYS A 38 -21.108 -10.099 -8.968 1.00 0.00 C ATOM 567 C LYS A 38 -22.355 -9.605 -8.232 1.00 0.00 C ATOM 568 O LYS A 38 -22.855 -8.516 -8.512 1.00 0.00 O ATOM 569 CB LYS A 38 -21.405 -11.135 -10.054 1.00 0.00 C ATOM 570 CG LYS A 38 -21.213 -10.538 -11.449 1.00 0.00 C ATOM 571 CD LYS A 38 -22.152 -11.197 -12.462 1.00 0.00 C ATOM 572 CE LYS A 38 -22.624 -10.187 -13.510 1.00 0.00 C ATOM 573 NZ LYS A 38 -23.113 -10.885 -14.719 1.00 0.00 N ATOM 0 H LYS A 38 -19.816 -11.567 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.682 -9.240 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.748 -11.996 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.428 -11.496 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.401 -9.465 -11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.179 -10.671 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.640 -12.024 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.013 -11.618 -11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.419 -9.567 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.804 -9.519 -13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.429 -10.185 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.345 -11.458 -15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.909 -11.504 -14.464 1.00 0.00 H new ATOM 587 N ASP A 39 -22.823 -10.429 -7.306 1.00 0.00 N ATOM 588 CA ASP A 39 -24.002 -10.089 -6.528 1.00 0.00 C ATOM 589 C ASP A 39 -23.787 -8.736 -5.848 1.00 0.00 C ATOM 590 O ASP A 39 -24.709 -7.927 -5.762 1.00 0.00 O ATOM 591 CB ASP A 39 -24.261 -11.130 -5.437 1.00 0.00 C ATOM 592 CG ASP A 39 -25.291 -12.202 -5.798 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.496 -11.907 -5.641 1.00 0.00 O ATOM 594 OD2 ASP A 39 -24.852 -13.293 -6.222 1.00 0.00 O ATOM 0 H ASP A 39 -22.407 -11.332 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 39 -24.855 -10.057 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.319 -11.620 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.595 -10.615 -4.536 1.00 0.00 H new ATOM 599 N GLY A 40 -22.563 -8.531 -5.383 1.00 0.00 N ATOM 600 CA GLY A 40 -22.215 -7.290 -4.713 1.00 0.00 C ATOM 601 C GLY A 40 -21.927 -7.529 -3.230 1.00 0.00 C ATOM 602 O GLY A 40 -22.441 -6.813 -2.371 1.00 0.00 O ATOM 0 H GLY A 40 -21.800 -9.204 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.340 -6.848 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.031 -6.575 -4.818 1.00 0.00 H new ATOM 606 N SER A 41 -21.107 -8.537 -2.974 1.00 0.00 N ATOM 607 CA SER A 41 -20.744 -8.879 -1.609 1.00 0.00 C ATOM 608 C SER A 41 -19.376 -9.564 -1.587 1.00 0.00 C ATOM 609 O SER A 41 -19.132 -10.496 -2.352 1.00 0.00 O ATOM 610 CB SER A 41 -21.800 -9.783 -0.969 1.00 0.00 C ATOM 611 OG SER A 41 -23.123 -9.308 -1.205 1.00 0.00 O ATOM 0 H SER A 41 -20.683 -9.128 -3.689 1.00 0.00 H new ATOM 0 HA SER A 41 -20.692 -7.958 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.701 -10.793 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.623 -9.844 0.105 1.00 0.00 H new ATOM 0 HG SER A 41 -23.768 -9.913 -0.782 1.00 0.00 H new ATOM 617 N VAL A 42 -18.520 -9.076 -0.701 1.00 0.00 N ATOM 618 CA VAL A 42 -17.183 -9.629 -0.569 1.00 0.00 C ATOM 619 C VAL A 42 -17.281 -11.079 -0.090 1.00 0.00 C ATOM 620 O VAL A 42 -18.017 -11.378 0.849 1.00 0.00 O ATOM 621 CB VAL A 42 -16.342 -8.749 0.357 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.001 -9.413 0.676 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.135 -7.358 -0.247 1.00 0.00 C ATOM 0 H VAL A 42 -18.727 -8.304 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.676 -9.639 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.888 -8.630 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.423 -8.766 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.177 -10.370 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.447 -9.577 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.534 -6.753 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.621 -7.450 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.103 -6.880 -0.399 1.00 0.00 H new ATOM 633 N PRO A 43 -16.507 -11.964 -0.774 1.00 0.00 N ATOM 634 CA PRO A 43 -16.499 -13.375 -0.428 1.00 0.00 C ATOM 635 C PRO A 43 -15.705 -13.620 0.856 1.00 0.00 C ATOM 636 O PRO A 43 -15.449 -12.690 1.619 1.00 0.00 O ATOM 637 CB PRO A 43 -15.902 -14.074 -1.639 1.00 0.00 C ATOM 638 CG PRO A 43 -15.173 -12.996 -2.424 1.00 0.00 C ATOM 639 CD PRO A 43 -15.623 -11.645 -1.891 1.00 0.00 C ATOM 0 HA PRO A 43 -17.495 -13.761 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.218 -14.866 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.680 -14.540 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.094 -13.109 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.397 -13.081 -3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.774 -11.045 -1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.144 -11.070 -2.657 1.00 0.00 H new ATOM 647 N ARG A 44 -15.336 -14.877 1.055 1.00 0.00 N ATOM 648 CA ARG A 44 -14.576 -15.256 2.234 1.00 0.00 C ATOM 649 C ARG A 44 -13.540 -14.180 2.566 1.00 0.00 C ATOM 650 O ARG A 44 -13.285 -13.899 3.736 1.00 0.00 O ATOM 651 CB ARG A 44 -13.862 -16.593 2.022 1.00 0.00 C ATOM 652 CG ARG A 44 -14.837 -17.764 2.164 1.00 0.00 C ATOM 653 CD ARG A 44 -15.043 -18.472 0.824 1.00 0.00 C ATOM 654 NE ARG A 44 -15.984 -19.603 0.988 1.00 0.00 N ATOM 655 CZ ARG A 44 -17.305 -19.462 1.160 1.00 0.00 C ATOM 656 NH1 ARG A 44 -17.850 -18.238 1.192 1.00 0.00 N ATOM 657 NH2 ARG A 44 -18.082 -20.544 1.301 1.00 0.00 N ATOM 0 H ARG A 44 -15.549 -15.646 0.420 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.277 -15.358 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.406 -16.613 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.055 -16.697 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.455 -18.473 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.794 -17.401 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.432 -17.769 0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.088 -18.835 0.445 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.603 -20.549 0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.259 -17.414 1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.856 -18.131 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.668 -21.476 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.088 -20.436 1.432 1.00 0.00 H new ATOM 671 N ASP A 45 -12.971 -13.608 1.516 1.00 0.00 N ATOM 672 CA ASP A 45 -11.969 -12.569 1.681 1.00 0.00 C ATOM 673 C ASP A 45 -11.601 -11.997 0.311 1.00 0.00 C ATOM 674 O ASP A 45 -11.547 -10.781 0.135 1.00 0.00 O ATOM 675 CB ASP A 45 -10.695 -13.129 2.317 1.00 0.00 C ATOM 676 CG ASP A 45 -10.357 -14.569 1.928 1.00 0.00 C ATOM 677 OD1 ASP A 45 -10.837 -15.477 2.640 1.00 0.00 O ATOM 678 OD2 ASP A 45 -9.626 -14.730 0.926 1.00 0.00 O ATOM 0 H ASP A 45 -13.185 -13.844 0.547 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.387 -11.798 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.857 -12.488 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.794 -13.075 3.401 1.00 0.00 H new ATOM 683 N SER A 46 -11.357 -12.902 -0.626 1.00 0.00 N ATOM 684 CA SER A 46 -10.996 -12.503 -1.976 1.00 0.00 C ATOM 685 C SER A 46 -9.577 -11.933 -1.991 1.00 0.00 C ATOM 686 O SER A 46 -9.280 -11.016 -2.756 1.00 0.00 O ATOM 687 CB SER A 46 -11.987 -11.477 -2.531 1.00 0.00 C ATOM 688 OG SER A 46 -12.627 -11.940 -3.716 1.00 0.00 O ATOM 0 H SER A 46 -11.402 -13.910 -0.477 1.00 0.00 H new ATOM 0 HA SER A 46 -11.033 -13.385 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.740 -11.255 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.463 -10.545 -2.742 1.00 0.00 H new ATOM 0 HG SER A 46 -13.253 -11.258 -4.038 1.00 0.00 H new ATOM 694 N GLY A 47 -8.737 -12.498 -1.137 1.00 0.00 N ATOM 695 CA GLY A 47 -7.356 -12.058 -1.042 1.00 0.00 C ATOM 696 C GLY A 47 -7.277 -10.578 -0.662 1.00 0.00 C ATOM 697 O GLY A 47 -7.282 -9.708 -1.532 1.00 0.00 O ATOM 0 H GLY A 47 -8.987 -13.258 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.830 -12.657 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.853 -12.220 -1.995 1.00 0.00 H new ATOM 701 N ALA A 48 -7.206 -10.337 0.639 1.00 0.00 N ATOM 702 CA ALA A 48 -7.127 -8.977 1.145 1.00 0.00 C ATOM 703 C ALA A 48 -5.938 -8.265 0.497 1.00 0.00 C ATOM 704 O ALA A 48 -5.943 -7.043 0.358 1.00 0.00 O ATOM 705 CB ALA A 48 -7.027 -9.005 2.672 1.00 0.00 C ATOM 0 H ALA A 48 -7.202 -11.061 1.358 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.027 -8.419 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.968 -7.985 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.908 -9.495 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.134 -9.555 2.968 1.00 0.00 H new ATOM 711 N MET A 49 -4.948 -9.059 0.117 1.00 0.00 N ATOM 712 CA MET A 49 -3.756 -8.520 -0.514 1.00 0.00 C ATOM 713 C MET A 49 -3.960 -8.354 -2.021 1.00 0.00 C ATOM 714 O MET A 49 -3.002 -8.128 -2.759 1.00 0.00 O ATOM 715 CB MET A 49 -2.574 -9.458 -0.259 1.00 0.00 C ATOM 716 CG MET A 49 -1.787 -9.025 0.980 1.00 0.00 C ATOM 717 SD MET A 49 -0.138 -8.530 0.513 1.00 0.00 S ATOM 718 CE MET A 49 -0.457 -6.858 -0.024 1.00 0.00 C ATOM 0 H MET A 49 -4.947 -10.072 0.234 1.00 0.00 H new ATOM 0 HA MET A 49 -3.553 -7.539 -0.084 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.936 -10.477 -0.126 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.916 -9.464 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.297 -8.199 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.740 -9.845 1.696 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.105 -6.731 -1.048 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.528 -6.660 0.018 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.067 -6.160 0.629 1.00 0.00 H new ATOM 728 N LEU A 50 -5.213 -8.472 -2.433 1.00 0.00 N ATOM 729 CA LEU A 50 -5.555 -8.337 -3.838 1.00 0.00 C ATOM 730 C LEU A 50 -4.996 -9.533 -4.612 1.00 0.00 C ATOM 731 O LEU A 50 -5.750 -10.297 -5.211 1.00 0.00 O ATOM 732 CB LEU A 50 -5.087 -6.983 -4.376 1.00 0.00 C ATOM 733 CG LEU A 50 -5.719 -5.750 -3.728 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.197 -5.628 -4.104 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.512 -5.760 -2.212 1.00 0.00 C ATOM 0 H LEU A 50 -6.005 -8.660 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.637 -8.349 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.006 -6.920 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.289 -6.950 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.215 -4.865 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.621 -4.743 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.291 -5.540 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.733 -6.514 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.971 -4.873 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.973 -6.652 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.445 -5.762 -1.991 1.00 0.00 H new ATOM 747 N GLY A 51 -3.677 -9.657 -4.572 1.00 0.00 N ATOM 748 CA GLY A 51 -3.008 -10.747 -5.262 1.00 0.00 C ATOM 749 C GLY A 51 -1.505 -10.481 -5.379 1.00 0.00 C ATOM 750 O GLY A 51 -0.708 -11.416 -5.434 1.00 0.00 O ATOM 0 H GLY A 51 -3.055 -9.021 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.175 -11.680 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.438 -10.871 -6.256 1.00 0.00 H new ATOM 754 N LEU A 52 -1.165 -9.201 -5.415 1.00 0.00 N ATOM 755 CA LEU A 52 0.228 -8.800 -5.525 1.00 0.00 C ATOM 756 C LEU A 52 0.770 -8.469 -4.133 1.00 0.00 C ATOM 757 O LEU A 52 0.009 -8.384 -3.170 1.00 0.00 O ATOM 758 CB LEU A 52 0.379 -7.658 -6.532 1.00 0.00 C ATOM 759 CG LEU A 52 0.289 -6.243 -5.958 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.647 -5.778 -5.429 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.288 -5.270 -6.988 1.00 0.00 C ATOM 0 H LEU A 52 -1.829 -8.428 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 52 0.831 -9.620 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.342 -7.766 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.391 -7.769 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.397 -6.261 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.555 -4.769 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.981 -6.453 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.374 -5.780 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.341 -4.271 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.354 -5.250 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.288 -5.595 -7.275 1.00 0.00 H new ATOM 773 N LYS A 53 2.081 -8.291 -4.071 1.00 0.00 N ATOM 774 CA LYS A 53 2.734 -7.971 -2.813 1.00 0.00 C ATOM 775 C LYS A 53 3.449 -6.624 -2.942 1.00 0.00 C ATOM 776 O LYS A 53 4.337 -6.467 -3.780 1.00 0.00 O ATOM 777 CB LYS A 53 3.652 -9.115 -2.379 1.00 0.00 C ATOM 778 CG LYS A 53 3.589 -9.324 -0.864 1.00 0.00 C ATOM 779 CD LYS A 53 4.985 -9.251 -0.242 1.00 0.00 C ATOM 780 CE LYS A 53 4.960 -8.467 1.071 1.00 0.00 C ATOM 781 NZ LYS A 53 4.401 -9.299 2.161 1.00 0.00 N ATOM 0 H LYS A 53 2.709 -8.362 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 53 1.996 -7.866 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.361 -10.033 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.677 -8.896 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.947 -8.566 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.140 -10.293 -0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.359 -10.259 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.674 -8.776 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.970 -8.148 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.361 -7.564 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.391 -8.752 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.430 -9.582 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.989 -10.148 2.286 1.00 0.00 H new ATOM 795 N VAL A 54 3.036 -5.687 -2.101 1.00 0.00 N ATOM 796 CA VAL A 54 3.626 -4.360 -2.112 1.00 0.00 C ATOM 797 C VAL A 54 4.602 -4.231 -0.941 1.00 0.00 C ATOM 798 O VAL A 54 4.323 -4.703 0.160 1.00 0.00 O ATOM 799 CB VAL A 54 2.525 -3.297 -2.091 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.122 -1.890 -2.035 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.594 -3.450 -3.296 1.00 0.00 C ATOM 0 H VAL A 54 2.300 -5.821 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 54 4.194 -4.203 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 54 1.933 -3.445 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.318 -1.154 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.725 -1.786 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.749 -1.726 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.820 -2.683 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.168 -3.341 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.129 -4.436 -3.274 1.00 0.00 H new ATOM 811 N VAL A 55 5.728 -3.590 -1.218 1.00 0.00 N ATOM 812 CA VAL A 55 6.747 -3.393 -0.201 1.00 0.00 C ATOM 813 C VAL A 55 7.026 -1.897 -0.048 1.00 0.00 C ATOM 814 O VAL A 55 7.562 -1.265 -0.957 1.00 0.00 O ATOM 815 CB VAL A 55 7.998 -4.202 -0.551 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.242 -3.597 0.103 1.00 0.00 C ATOM 817 CG2 VAL A 55 7.830 -5.670 -0.155 1.00 0.00 C ATOM 0 H VAL A 55 5.957 -3.200 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 55 6.399 -3.759 0.765 1.00 0.00 H new ATOM 0 HB VAL A 55 8.133 -4.160 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.117 -4.191 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.377 -2.574 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.119 -3.595 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.733 -6.223 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.658 -5.740 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.979 -6.095 -0.687 1.00 0.00 H new ATOM 827 N GLY A 56 6.651 -1.372 1.110 1.00 0.00 N ATOM 828 CA GLY A 56 6.854 0.038 1.394 1.00 0.00 C ATOM 829 C GLY A 56 8.124 0.253 2.220 1.00 0.00 C ATOM 830 O GLY A 56 8.875 -0.689 2.466 1.00 0.00 O ATOM 0 H GLY A 56 6.208 -1.899 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.925 0.594 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.993 0.431 1.935 1.00 0.00 H new ATOM 834 N GLY A 57 8.324 1.499 2.624 1.00 0.00 N ATOM 835 CA GLY A 57 9.490 1.850 3.416 1.00 0.00 C ATOM 836 C GLY A 57 10.782 1.562 2.649 1.00 0.00 C ATOM 837 O GLY A 57 11.867 1.565 3.229 1.00 0.00 O ATOM 0 H GLY A 57 7.698 2.278 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.449 2.906 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.483 1.286 4.349 1.00 0.00 H new ATOM 841 N LYS A 58 10.623 1.319 1.356 1.00 0.00 N ATOM 842 CA LYS A 58 11.763 1.028 0.504 1.00 0.00 C ATOM 843 C LYS A 58 12.617 2.289 0.354 1.00 0.00 C ATOM 844 O LYS A 58 12.107 3.349 -0.007 1.00 0.00 O ATOM 845 CB LYS A 58 11.299 0.438 -0.829 1.00 0.00 C ATOM 846 CG LYS A 58 12.493 0.089 -1.720 1.00 0.00 C ATOM 847 CD LYS A 58 12.711 -1.424 -1.777 1.00 0.00 C ATOM 848 CE LYS A 58 13.385 -1.929 -0.500 1.00 0.00 C ATOM 849 NZ LYS A 58 14.665 -2.599 -0.821 1.00 0.00 N ATOM 0 H LYS A 58 9.722 1.318 0.878 1.00 0.00 H new ATOM 0 HA LYS A 58 12.395 0.266 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.703 -0.456 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.654 1.152 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.325 0.474 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.391 0.575 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.754 -1.928 -1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.327 -1.674 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.564 -1.095 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.723 -2.624 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.110 -2.936 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.486 -3.407 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.300 -1.925 -1.295 1.00 0.00 H new ATOM 863 N MET A 59 13.901 2.133 0.640 1.00 0.00 N ATOM 864 CA MET A 59 14.830 3.246 0.542 1.00 0.00 C ATOM 865 C MET A 59 15.447 3.324 -0.857 1.00 0.00 C ATOM 866 O MET A 59 16.320 2.529 -1.199 1.00 0.00 O ATOM 867 CB MET A 59 15.940 3.078 1.581 1.00 0.00 C ATOM 868 CG MET A 59 16.314 4.423 2.206 1.00 0.00 C ATOM 869 SD MET A 59 15.129 4.861 3.467 1.00 0.00 S ATOM 870 CE MET A 59 14.824 6.564 3.028 1.00 0.00 C ATOM 0 H MET A 59 14.320 1.253 0.940 1.00 0.00 H new ATOM 0 HA MET A 59 14.282 4.170 0.729 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.613 2.389 2.360 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.818 2.634 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.313 4.367 2.638 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.342 5.195 1.437 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.369 7.082 3.873 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.766 7.048 2.770 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.150 6.604 2.172 1.00 0.00 H new ATOM 880 N THR A 60 14.967 4.290 -1.627 1.00 0.00 N ATOM 881 CA THR A 60 15.461 4.482 -2.980 1.00 0.00 C ATOM 882 C THR A 60 16.889 5.030 -2.954 1.00 0.00 C ATOM 883 O THR A 60 17.579 4.927 -1.942 1.00 0.00 O ATOM 884 CB THR A 60 14.474 5.389 -3.719 1.00 0.00 C ATOM 885 OG1 THR A 60 14.511 6.611 -2.987 1.00 0.00 O ATOM 886 CG2 THR A 60 13.026 4.915 -3.580 1.00 0.00 C ATOM 0 H THR A 60 14.242 4.947 -1.340 1.00 0.00 H new ATOM 0 HA THR A 60 15.520 3.536 -3.518 1.00 0.00 H new ATOM 0 HB THR A 60 14.742 5.432 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.854 6.577 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.367 5.593 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.931 3.910 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.747 4.903 -2.527 1.00 0.00 H new ATOM 894 N GLU A 61 17.289 5.602 -4.081 1.00 0.00 N ATOM 895 CA GLU A 61 18.622 6.167 -4.200 1.00 0.00 C ATOM 896 C GLU A 61 18.595 7.664 -3.883 1.00 0.00 C ATOM 897 O GLU A 61 19.635 8.320 -3.875 1.00 0.00 O ATOM 898 CB GLU A 61 19.203 5.913 -5.592 1.00 0.00 C ATOM 899 CG GLU A 61 18.176 6.231 -6.681 1.00 0.00 C ATOM 900 CD GLU A 61 18.862 6.749 -7.947 1.00 0.00 C ATOM 901 OE1 GLU A 61 19.422 7.864 -7.873 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.811 6.019 -8.960 1.00 0.00 O ATOM 0 H GLU A 61 16.713 5.686 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 61 19.270 5.673 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.093 6.526 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.516 4.872 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.600 5.336 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.471 6.977 -6.314 1.00 0.00 H new ATOM 909 N SER A 62 17.393 8.160 -3.628 1.00 0.00 N ATOM 910 CA SER A 62 17.216 9.567 -3.311 1.00 0.00 C ATOM 911 C SER A 62 16.840 9.728 -1.837 1.00 0.00 C ATOM 912 O SER A 62 16.501 10.825 -1.395 1.00 0.00 O ATOM 913 CB SER A 62 16.148 10.203 -4.204 1.00 0.00 C ATOM 914 OG SER A 62 16.675 11.267 -4.992 1.00 0.00 O ATOM 0 H SER A 62 16.532 7.613 -3.634 1.00 0.00 H new ATOM 0 HA SER A 62 18.159 10.081 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.724 9.442 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.334 10.580 -3.584 1.00 0.00 H new ATOM 0 HG SER A 62 15.963 11.645 -5.549 1.00 0.00 H new ATOM 920 N GLY A 63 16.914 8.619 -1.116 1.00 0.00 N ATOM 921 CA GLY A 63 16.586 8.623 0.299 1.00 0.00 C ATOM 922 C GLY A 63 15.075 8.743 0.511 1.00 0.00 C ATOM 923 O GLY A 63 14.617 8.960 1.632 1.00 0.00 O ATOM 0 H GLY A 63 17.196 7.711 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.950 7.706 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.093 9.453 0.791 1.00 0.00 H new ATOM 927 N ARG A 64 14.343 8.596 -0.583 1.00 0.00 N ATOM 928 CA ARG A 64 12.893 8.685 -0.531 1.00 0.00 C ATOM 929 C ARG A 64 12.284 7.299 -0.309 1.00 0.00 C ATOM 930 O ARG A 64 12.895 6.287 -0.648 1.00 0.00 O ATOM 931 CB ARG A 64 12.331 9.281 -1.823 1.00 0.00 C ATOM 932 CG ARG A 64 11.880 10.727 -1.609 1.00 0.00 C ATOM 933 CD ARG A 64 10.975 11.194 -2.751 1.00 0.00 C ATOM 934 NE ARG A 64 11.131 12.652 -2.957 1.00 0.00 N ATOM 935 CZ ARG A 64 10.233 13.421 -3.587 1.00 0.00 C ATOM 936 NH1 ARG A 64 9.111 12.878 -4.077 1.00 0.00 N ATOM 937 NH2 ARG A 64 10.458 14.735 -3.727 1.00 0.00 N ATOM 0 H ARG A 64 14.726 8.416 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 64 12.630 9.338 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.090 9.245 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.489 8.681 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.348 10.809 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.752 11.378 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.227 10.660 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.936 10.960 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 64 11.974 13.098 -2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.940 11.878 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.428 13.464 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.312 15.149 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.775 15.321 -4.207 1.00 0.00 H new ATOM 951 N LEU A 65 11.087 7.298 0.258 1.00 0.00 N ATOM 952 CA LEU A 65 10.388 6.053 0.529 1.00 0.00 C ATOM 953 C LEU A 65 9.155 5.959 -0.372 1.00 0.00 C ATOM 954 O LEU A 65 8.432 6.939 -0.545 1.00 0.00 O ATOM 955 CB LEU A 65 10.071 5.930 2.021 1.00 0.00 C ATOM 956 CG LEU A 65 11.271 5.985 2.969 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.818 6.207 4.413 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.140 4.734 2.826 1.00 0.00 C ATOM 0 H LEU A 65 10.583 8.140 0.537 1.00 0.00 H new ATOM 0 HA LEU A 65 11.023 5.200 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.382 6.729 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.547 4.988 2.184 1.00 0.00 H new ATOM 0 HG LEU A 65 11.888 6.839 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.690 6.242 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.274 7.149 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.167 5.388 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.986 4.798 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.548 3.850 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.507 4.661 1.802 1.00 0.00 H new ATOM 970 N CYS A 66 8.953 4.770 -0.921 1.00 0.00 N ATOM 971 CA CYS A 66 7.820 4.535 -1.800 1.00 0.00 C ATOM 972 C CYS A 66 7.597 3.025 -1.903 1.00 0.00 C ATOM 973 O CYS A 66 8.549 2.248 -1.847 1.00 0.00 O ATOM 974 CB CYS A 66 8.027 5.177 -3.174 1.00 0.00 C ATOM 975 SG CYS A 66 6.408 5.583 -3.925 1.00 0.00 S ATOM 0 H CYS A 66 9.555 3.959 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 66 6.929 5.005 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.628 6.081 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.578 4.497 -3.823 1.00 0.00 H new ATOM 0 HG CYS A 66 5.797 4.485 -4.259 1.00 0.00 H new ATOM 981 N ALA A 67 6.334 2.655 -2.052 1.00 0.00 N ATOM 982 CA ALA A 67 5.974 1.251 -2.164 1.00 0.00 C ATOM 983 C ALA A 67 6.064 0.821 -3.629 1.00 0.00 C ATOM 984 O ALA A 67 5.547 1.502 -4.513 1.00 0.00 O ATOM 985 CB ALA A 67 4.577 1.034 -1.577 1.00 0.00 C ATOM 0 H ALA A 67 5.547 3.302 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 67 6.667 0.631 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.307 -0.019 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.574 1.327 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.854 1.639 -2.125 1.00 0.00 H new ATOM 991 N PHE A 68 6.725 -0.308 -3.841 1.00 0.00 N ATOM 992 CA PHE A 68 6.890 -0.837 -5.184 1.00 0.00 C ATOM 993 C PHE A 68 6.412 -2.288 -5.264 1.00 0.00 C ATOM 994 O PHE A 68 6.626 -3.068 -4.337 1.00 0.00 O ATOM 995 CB PHE A 68 8.385 -0.787 -5.504 1.00 0.00 C ATOM 996 CG PHE A 68 9.026 0.583 -5.273 1.00 0.00 C ATOM 997 CD1 PHE A 68 8.936 1.546 -6.230 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.684 0.839 -4.111 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.530 2.818 -6.015 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.279 2.110 -3.896 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.189 3.073 -4.853 1.00 0.00 C ATOM 0 H PHE A 68 7.152 -0.871 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 68 6.303 -0.250 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.902 -1.526 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.533 -1.075 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.413 1.343 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.754 0.075 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.458 3.583 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.803 2.312 -2.973 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.641 4.040 -4.690 1.00 0.00 H new ATOM 1011 N ILE A 69 5.774 -2.607 -6.381 1.00 0.00 N ATOM 1012 CA ILE A 69 5.264 -3.951 -6.594 1.00 0.00 C ATOM 1013 C ILE A 69 6.431 -4.940 -6.596 1.00 0.00 C ATOM 1014 O ILE A 69 7.430 -4.725 -7.280 1.00 0.00 O ATOM 1015 CB ILE A 69 4.409 -4.005 -7.862 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.216 -3.052 -7.760 1.00 0.00 C ATOM 1017 CG2 ILE A 69 3.973 -5.439 -8.168 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.419 -3.031 -9.065 1.00 0.00 C ATOM 0 H ILE A 69 5.599 -1.958 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 69 4.602 -4.241 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 69 5.019 -3.668 -8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.569 -3.360 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.568 -2.047 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.367 -5.450 -9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.854 -6.064 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.387 -5.827 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.577 -2.346 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.063 -2.699 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.048 -4.033 -9.281 1.00 0.00 H new ATOM 1030 N THR A 70 6.265 -6.003 -5.822 1.00 0.00 N ATOM 1031 CA THR A 70 7.292 -7.026 -5.727 1.00 0.00 C ATOM 1032 C THR A 70 6.895 -8.258 -6.543 1.00 0.00 C ATOM 1033 O THR A 70 7.700 -8.783 -7.311 1.00 0.00 O ATOM 1034 CB THR A 70 7.522 -7.328 -4.244 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.407 -8.135 -3.877 1.00 0.00 O ATOM 1036 CG2 THR A 70 7.387 -6.083 -3.366 1.00 0.00 C ATOM 0 H THR A 70 5.435 -6.178 -5.255 1.00 0.00 H new ATOM 0 HA THR A 70 8.234 -6.682 -6.154 1.00 0.00 H new ATOM 0 HB THR A 70 8.514 -7.760 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.586 -7.602 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.559 -6.352 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.121 -5.339 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.384 -5.670 -3.473 1.00 0.00 H new ATOM 1044 N LYS A 71 5.656 -8.683 -6.348 1.00 0.00 N ATOM 1045 CA LYS A 71 5.143 -9.844 -7.056 1.00 0.00 C ATOM 1046 C LYS A 71 3.634 -9.688 -7.257 1.00 0.00 C ATOM 1047 O LYS A 71 2.946 -9.126 -6.406 1.00 0.00 O ATOM 1048 CB LYS A 71 5.537 -11.132 -6.331 1.00 0.00 C ATOM 1049 CG LYS A 71 5.100 -12.364 -7.126 1.00 0.00 C ATOM 1050 CD LYS A 71 6.182 -13.446 -7.099 1.00 0.00 C ATOM 1051 CE LYS A 71 5.996 -14.437 -8.249 1.00 0.00 C ATOM 1052 NZ LYS A 71 6.473 -15.782 -7.858 1.00 0.00 N ATOM 0 H LYS A 71 4.992 -8.245 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 71 5.592 -9.914 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.617 -11.154 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.079 -11.152 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.174 -12.760 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.890 -12.080 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.166 -12.983 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.147 -13.977 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.944 -14.485 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.543 -14.092 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.339 -16.442 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.483 -15.735 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.933 -16.116 -7.034 1.00 0.00 H new ATOM 1066 N VAL A 72 3.164 -10.195 -8.386 1.00 0.00 N ATOM 1067 CA VAL A 72 1.749 -10.119 -8.709 1.00 0.00 C ATOM 1068 C VAL A 72 1.299 -11.444 -9.328 1.00 0.00 C ATOM 1069 O VAL A 72 1.642 -11.748 -10.469 1.00 0.00 O ATOM 1070 CB VAL A 72 1.483 -8.916 -9.616 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.744 -8.522 -10.388 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.320 -9.194 -10.570 1.00 0.00 C ATOM 0 H VAL A 72 3.738 -10.660 -9.089 1.00 0.00 H new ATOM 0 HA VAL A 72 1.159 -9.965 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 72 1.202 -8.075 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.528 -7.664 -11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.535 -8.261 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.069 -9.359 -11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.152 -8.323 -11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.559 -10.055 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.581 -9.403 -9.994 1.00 0.00 H new ATOM 1082 N LYS A 73 0.539 -12.198 -8.547 1.00 0.00 N ATOM 1083 CA LYS A 73 0.039 -13.483 -9.003 1.00 0.00 C ATOM 1084 C LYS A 73 -0.694 -13.297 -10.334 1.00 0.00 C ATOM 1085 O LYS A 73 -1.338 -12.273 -10.553 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.814 -14.143 -7.918 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.154 -15.587 -8.290 1.00 0.00 C ATOM 1088 CD LYS A 73 0.023 -16.520 -7.998 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.135 -17.191 -6.632 1.00 0.00 C ATOM 1090 NZ LYS A 73 -1.285 -18.122 -6.642 1.00 0.00 N ATOM 0 H LYS A 73 0.257 -11.943 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 73 0.865 -14.170 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.279 -14.125 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.733 -13.574 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.030 -15.914 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.413 -15.643 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.090 -17.281 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.955 -15.955 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.777 -17.732 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.280 -16.433 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.121 -18.883 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.152 -17.606 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.391 -18.532 -7.592 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.570 -14.304 -11.186 1.00 0.00 N ATOM 1105 CA LYS A 74 -1.213 -14.264 -12.489 1.00 0.00 C ATOM 1106 C LYS A 74 -2.614 -14.870 -12.380 1.00 0.00 C ATOM 1107 O LYS A 74 -2.761 -16.084 -12.248 1.00 0.00 O ATOM 1108 CB LYS A 74 -0.332 -14.938 -13.542 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.876 -14.693 -14.951 1.00 0.00 C ATOM 1110 CD LYS A 74 0.126 -13.905 -15.797 1.00 0.00 C ATOM 1111 CE LYS A 74 0.713 -14.779 -16.907 1.00 0.00 C ATOM 1112 NZ LYS A 74 1.546 -15.859 -16.331 1.00 0.00 N ATOM 0 H LYS A 74 -0.034 -15.152 -11.000 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.336 -13.233 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.686 -14.554 -13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.283 -16.010 -13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.092 -15.647 -15.432 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.817 -14.146 -14.891 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.366 -13.036 -16.235 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.928 -13.530 -15.162 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.092 -15.211 -17.502 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.314 -14.168 -17.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.978 -16.412 -17.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.295 -15.443 -15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.952 -16.482 -15.748 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.608 -13.996 -12.440 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.992 -14.429 -12.350 1.00 0.00 C ATOM 1128 C GLY A 75 -5.659 -13.875 -11.089 1.00 0.00 C ATOM 1129 O GLY A 75 -6.663 -14.415 -10.625 1.00 0.00 O ATOM 0 H GLY A 75 -3.482 -12.990 -12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.539 -14.095 -13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.036 -15.518 -12.341 1.00 0.00 H new ATOM 1133 N SER A 76 -5.075 -12.805 -10.571 1.00 0.00 N ATOM 1134 CA SER A 76 -5.600 -12.172 -9.373 1.00 0.00 C ATOM 1135 C SER A 76 -6.059 -10.748 -9.692 1.00 0.00 C ATOM 1136 O SER A 76 -5.751 -10.216 -10.758 1.00 0.00 O ATOM 1137 CB SER A 76 -4.556 -12.155 -8.255 1.00 0.00 C ATOM 1138 OG SER A 76 -3.384 -11.435 -8.630 1.00 0.00 O ATOM 0 H SER A 76 -4.243 -12.360 -10.959 1.00 0.00 H new ATOM 0 HA SER A 76 -6.454 -12.754 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.988 -11.704 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.285 -13.179 -7.996 1.00 0.00 H new ATOM 0 HG SER A 76 -2.879 -11.953 -9.291 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.789 -10.170 -8.749 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.293 -8.817 -8.917 1.00 0.00 C ATOM 1146 C LEU A 77 -6.198 -7.941 -9.527 1.00 0.00 C ATOM 1147 O LEU A 77 -6.367 -7.400 -10.619 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.842 -8.283 -7.593 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.255 -8.737 -7.220 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.242 -8.442 -8.352 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.269 -10.213 -6.818 1.00 0.00 C ATOM 0 H LEU A 77 -7.043 -10.614 -7.866 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.133 -8.806 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.163 -8.582 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.830 -7.194 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.580 -8.164 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.239 -8.774 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.260 -7.370 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.931 -8.971 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.285 -10.510 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.916 -10.820 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.616 -10.362 -5.958 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.099 -7.828 -8.796 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.976 -7.027 -9.252 1.00 0.00 C ATOM 1165 C ALA A 78 -3.240 -7.775 -10.365 1.00 0.00 C ATOM 1166 O ALA A 78 -2.048 -8.057 -10.246 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.065 -6.703 -8.066 1.00 0.00 C ATOM 0 H ALA A 78 -4.962 -8.278 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.323 -6.080 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.222 -6.102 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.627 -6.146 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.695 -7.630 -7.627 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.979 -8.074 -11.422 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.412 -8.784 -12.556 1.00 0.00 C ATOM 1175 C ASP A 79 -4.502 -9.017 -13.604 1.00 0.00 C ATOM 1176 O ASP A 79 -4.290 -8.771 -14.791 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.863 -10.148 -12.134 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.874 -10.779 -13.115 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.687 -10.394 -13.052 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -2.328 -11.633 -13.907 1.00 0.00 O ATOM 0 H ASP A 79 -4.967 -7.838 -11.518 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.601 -8.178 -12.961 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.373 -10.042 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.700 -10.832 -11.995 1.00 0.00 H new ATOM 1185 N THR A 80 -5.645 -9.489 -13.128 1.00 0.00 N ATOM 1186 CA THR A 80 -6.768 -9.759 -14.009 1.00 0.00 C ATOM 1187 C THR A 80 -7.520 -8.464 -14.325 1.00 0.00 C ATOM 1188 O THR A 80 -8.047 -8.301 -15.424 1.00 0.00 O ATOM 1189 CB THR A 80 -7.644 -10.824 -13.346 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.919 -10.292 -12.053 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.878 -12.118 -13.062 1.00 0.00 C ATOM 0 H THR A 80 -5.817 -9.691 -12.143 1.00 0.00 H new ATOM 0 HA THR A 80 -6.432 -10.147 -14.971 1.00 0.00 H new ATOM 0 HB THR A 80 -8.499 -11.041 -13.987 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.484 -10.919 -11.555 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.545 -12.840 -12.592 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.500 -12.530 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.043 -11.907 -12.394 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.546 -7.577 -13.341 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.225 -6.302 -13.501 1.00 0.00 C ATOM 1201 C VAL A 81 -7.200 -5.170 -13.416 1.00 0.00 C ATOM 1202 O VAL A 81 -7.283 -4.196 -14.163 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.345 -6.173 -12.467 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.529 -7.072 -12.826 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.830 -6.481 -11.059 1.00 0.00 C ATOM 0 H VAL A 81 -7.108 -7.716 -12.430 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.697 -6.240 -14.482 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.693 -5.140 -12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.311 -6.961 -12.075 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.920 -6.786 -13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.201 -8.111 -12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.646 -6.382 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.442 -7.499 -11.028 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.035 -5.782 -10.801 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.256 -5.335 -12.500 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.216 -4.339 -12.309 1.00 0.00 C ATOM 1217 C GLY A 82 -4.102 -4.504 -13.343 1.00 0.00 C ATOM 1218 O GLY A 82 -3.398 -3.546 -13.661 1.00 0.00 O ATOM 0 H GLY A 82 -6.190 -6.144 -11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.645 -3.340 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.801 -4.429 -11.305 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.975 -5.726 -13.840 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.958 -6.029 -14.832 1.00 0.00 C ATOM 1224 C HIS A 83 -1.658 -5.306 -14.472 1.00 0.00 C ATOM 1225 O HIS A 83 -0.970 -4.784 -15.348 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.453 -5.690 -16.240 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.726 -6.403 -16.631 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.754 -7.734 -17.010 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -6.013 -5.957 -16.696 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -6.006 -8.063 -17.290 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.785 -6.960 -17.095 1.00 0.00 N ATOM 0 H HIS A 83 -4.560 -6.518 -13.574 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.752 -7.099 -14.830 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.615 -4.614 -16.308 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.673 -5.941 -16.959 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.347 -4.957 -16.462 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.350 -9.034 -17.615 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.795 -6.914 -17.233 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.361 -5.300 -13.181 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.156 -4.650 -12.693 1.00 0.00 C ATOM 1241 C LEU A 84 1.060 -5.508 -13.049 1.00 0.00 C ATOM 1242 O LEU A 84 0.940 -6.486 -13.785 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.278 -4.346 -11.199 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.338 -3.313 -10.809 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.996 -3.678 -9.478 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.746 -1.902 -10.788 1.00 0.00 C ATOM 0 H LEU A 84 -1.934 -5.735 -12.458 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.020 -3.685 -13.180 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.496 -5.277 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.690 -3.998 -10.839 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.120 -3.323 -11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.745 -2.928 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.474 -4.654 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.238 -3.713 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.520 -1.187 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.067 -1.859 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.363 -1.653 -11.778 1.00 0.00 H new ATOM 1258 N ARG A 85 2.203 -5.110 -12.509 1.00 0.00 N ATOM 1259 CA ARG A 85 3.439 -5.831 -12.760 1.00 0.00 C ATOM 1260 C ARG A 85 4.442 -5.573 -11.633 1.00 0.00 C ATOM 1261 O ARG A 85 4.458 -4.491 -11.048 1.00 0.00 O ATOM 1262 CB ARG A 85 4.061 -5.410 -14.093 1.00 0.00 C ATOM 1263 CG ARG A 85 3.589 -6.319 -15.230 1.00 0.00 C ATOM 1264 CD ARG A 85 3.136 -5.496 -16.437 1.00 0.00 C ATOM 1265 NE ARG A 85 3.175 -6.328 -17.660 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.064 -5.842 -18.904 1.00 0.00 C ATOM 1267 NH1 ARG A 85 2.907 -4.525 -19.097 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.111 -6.672 -19.955 1.00 0.00 N ATOM 0 H ARG A 85 2.299 -4.298 -11.899 1.00 0.00 H new ATOM 0 HA ARG A 85 3.200 -6.894 -12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.793 -4.377 -14.313 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.148 -5.448 -14.019 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.397 -6.989 -15.524 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.767 -6.945 -14.883 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.125 -5.122 -16.274 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.782 -4.627 -16.558 1.00 0.00 H new ATOM 0 HE ARG A 85 3.294 -7.335 -17.549 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.872 -3.893 -18.297 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.823 -4.155 -20.044 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.231 -7.674 -19.808 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.026 -6.302 -20.902 1.00 0.00 H new ATOM 1282 N PRO A 86 5.276 -6.611 -11.356 1.00 0.00 N ATOM 1283 CA PRO A 86 6.279 -6.507 -10.311 1.00 0.00 C ATOM 1284 C PRO A 86 7.454 -5.639 -10.763 1.00 0.00 C ATOM 1285 O PRO A 86 8.318 -6.097 -11.509 1.00 0.00 O ATOM 1286 CB PRO A 86 6.682 -7.941 -10.008 1.00 0.00 C ATOM 1287 CG PRO A 86 6.236 -8.761 -11.208 1.00 0.00 C ATOM 1288 CD PRO A 86 5.285 -7.907 -12.029 1.00 0.00 C ATOM 0 HA PRO A 86 5.902 -6.015 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.759 -8.021 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.206 -8.296 -9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.096 -9.059 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.742 -9.677 -10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.625 -7.815 -13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.287 -8.344 -12.060 1.00 0.00 H new ATOM 1296 N GLY A 87 7.449 -4.400 -10.292 1.00 0.00 N ATOM 1297 CA GLY A 87 8.505 -3.463 -10.639 1.00 0.00 C ATOM 1298 C GLY A 87 7.971 -2.030 -10.690 1.00 0.00 C ATOM 1299 O GLY A 87 8.743 -1.074 -10.638 1.00 0.00 O ATOM 0 H GLY A 87 6.731 -4.023 -9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.310 -3.529 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.931 -3.731 -11.606 1.00 0.00 H new ATOM 1303 N ASP A 88 6.654 -1.927 -10.791 1.00 0.00 N ATOM 1304 CA ASP A 88 6.008 -0.627 -10.850 1.00 0.00 C ATOM 1305 C ASP A 88 6.161 0.076 -9.499 1.00 0.00 C ATOM 1306 O ASP A 88 6.883 -0.402 -8.625 1.00 0.00 O ATOM 1307 CB ASP A 88 4.513 -0.767 -11.143 1.00 0.00 C ATOM 1308 CG ASP A 88 4.066 -0.226 -12.502 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.500 0.898 -12.836 1.00 0.00 O ATOM 1310 OD2 ASP A 88 3.301 -0.948 -13.177 1.00 0.00 O ATOM 0 H ASP A 88 6.017 -2.722 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 88 6.479 -0.053 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.244 -1.821 -11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.955 -0.250 -10.362 1.00 0.00 H new ATOM 1315 N GLU A 89 5.471 1.199 -9.371 1.00 0.00 N ATOM 1316 CA GLU A 89 5.521 1.972 -8.142 1.00 0.00 C ATOM 1317 C GLU A 89 4.118 2.444 -7.753 1.00 0.00 C ATOM 1318 O GLU A 89 3.553 3.323 -8.402 1.00 0.00 O ATOM 1319 CB GLU A 89 6.480 3.157 -8.278 1.00 0.00 C ATOM 1320 CG GLU A 89 6.519 3.981 -6.990 1.00 0.00 C ATOM 1321 CD GLU A 89 7.167 5.346 -7.231 1.00 0.00 C ATOM 1322 OE1 GLU A 89 8.359 5.350 -7.609 1.00 0.00 O ATOM 1323 OE2 GLU A 89 6.456 6.355 -7.034 1.00 0.00 O ATOM 0 H GLU A 89 4.874 1.593 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 89 5.900 1.329 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.481 2.794 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.167 3.789 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.506 4.117 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.076 3.440 -6.225 1.00 0.00 H new ATOM 1330 N VAL A 90 3.597 1.838 -6.697 1.00 0.00 N ATOM 1331 CA VAL A 90 2.271 2.185 -6.214 1.00 0.00 C ATOM 1332 C VAL A 90 2.346 3.494 -5.426 1.00 0.00 C ATOM 1333 O VAL A 90 2.734 3.499 -4.259 1.00 0.00 O ATOM 1334 CB VAL A 90 1.692 1.028 -5.397 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.642 0.625 -4.267 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.308 1.382 -4.850 1.00 0.00 C ATOM 0 H VAL A 90 4.069 1.109 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 90 1.591 2.347 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 90 1.580 0.171 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.206 -0.199 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.597 0.311 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.800 1.476 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.081 0.543 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.384 2.259 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.367 1.596 -5.679 1.00 0.00 H new ATOM 1346 N LEU A 91 1.968 4.573 -6.096 1.00 0.00 N ATOM 1347 CA LEU A 91 1.988 5.886 -5.472 1.00 0.00 C ATOM 1348 C LEU A 91 1.007 5.903 -4.298 1.00 0.00 C ATOM 1349 O LEU A 91 1.402 6.143 -3.158 1.00 0.00 O ATOM 1350 CB LEU A 91 1.722 6.976 -6.512 1.00 0.00 C ATOM 1351 CG LEU A 91 2.879 7.296 -7.460 1.00 0.00 C ATOM 1352 CD1 LEU A 91 3.807 8.352 -6.856 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.635 6.024 -7.850 1.00 0.00 C ATOM 0 H LEU A 91 1.646 4.565 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 91 2.976 6.100 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.861 6.677 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.445 7.891 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 91 2.464 7.718 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.621 8.561 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.245 9.267 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.217 7.981 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.453 6.279 -8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.038 5.551 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.954 5.335 -8.350 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.253 5.645 -4.617 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.293 5.628 -3.603 1.00 0.00 C ATOM 1367 C GLU A 92 -1.911 4.232 -3.500 1.00 0.00 C ATOM 1368 O GLU A 92 -1.677 3.381 -4.357 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.364 6.681 -3.898 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.738 8.067 -4.063 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.379 8.823 -5.229 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.628 8.835 -5.279 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -1.606 9.371 -6.043 1.00 0.00 O ATOM 0 H GLU A 92 -0.577 5.446 -5.564 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.841 5.876 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.904 6.411 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.093 6.701 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.862 8.638 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.666 7.968 -4.235 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.689 4.040 -2.445 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.342 2.762 -2.219 1.00 0.00 C ATOM 1382 C TRP A 93 -4.680 3.031 -1.528 1.00 0.00 C ATOM 1383 O TRP A 93 -4.743 3.123 -0.303 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.438 1.817 -1.424 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.101 0.490 -1.050 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.053 0.273 -0.132 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.822 -0.803 -1.626 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.406 -1.060 -0.074 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.633 -1.735 -1.012 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.913 -1.173 -2.633 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.617 -3.097 -1.335 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.910 -2.538 -2.945 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.720 -3.489 -2.336 1.00 0.00 C ATOM 0 H TRP A 93 -2.882 4.748 -1.737 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.534 2.254 -3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.541 1.611 -2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.116 2.320 -0.512 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.489 1.045 0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.105 -1.474 0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.268 -0.461 -3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.262 -3.807 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.230 -2.876 -3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.658 -4.525 -2.633 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.718 3.148 -2.344 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.051 3.405 -1.827 1.00 0.00 C ATOM 1406 C ASN A 94 -7.176 4.885 -1.461 1.00 0.00 C ATOM 1407 O ASN A 94 -8.067 5.269 -0.705 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.320 2.582 -0.565 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.672 1.871 -0.652 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.297 1.795 -1.697 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -9.088 1.357 0.502 1.00 0.00 N ATOM 0 H ASN A 94 -5.662 3.069 -3.359 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.770 3.130 -2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.527 1.847 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.303 3.233 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.979 0.863 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.516 1.456 1.340 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.269 5.677 -2.015 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.267 7.107 -1.757 1.00 0.00 C ATOM 1420 C GLY A 95 -5.191 7.478 -0.734 1.00 0.00 C ATOM 1421 O GLY A 95 -4.998 8.653 -0.429 1.00 0.00 O ATOM 0 H GLY A 95 -5.531 5.355 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.092 7.648 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.246 7.415 -1.389 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.517 6.452 -0.234 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.465 6.655 0.748 1.00 0.00 C ATOM 1427 C ARG A 96 -2.099 6.698 0.060 1.00 0.00 C ATOM 1428 O ARG A 96 -1.642 5.694 -0.485 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.466 5.540 1.795 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.574 5.759 2.827 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.989 6.147 4.187 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.872 5.669 5.273 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.951 6.332 5.711 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -6.287 7.504 5.158 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -6.694 5.821 6.703 1.00 0.00 N ATOM 0 H ARG A 96 -4.679 5.478 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.655 7.605 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.605 4.576 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.499 5.506 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.249 6.542 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.166 4.850 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.994 5.717 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.877 7.229 4.248 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.645 4.779 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.722 7.892 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.108 8.008 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.438 4.928 7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.515 6.325 7.037 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.484 7.871 0.108 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.179 8.058 -0.503 1.00 0.00 C ATOM 1451 C LEU A 97 0.850 7.195 0.230 1.00 0.00 C ATOM 1452 O LEU A 97 0.893 7.182 1.459 1.00 0.00 O ATOM 1453 CB LEU A 97 0.184 9.543 -0.548 1.00 0.00 C ATOM 1454 CG LEU A 97 1.554 9.882 -1.139 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.409 10.591 -2.487 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.392 10.694 -0.151 1.00 0.00 C ATOM 0 H LEU A 97 -1.866 8.701 0.561 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.193 7.726 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.578 10.065 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.141 9.938 0.467 1.00 0.00 H new ATOM 0 HG LEU A 97 2.088 8.949 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.397 10.821 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.879 9.942 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.848 11.516 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.361 10.921 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.875 11.624 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.539 10.117 0.762 1.00 0.00 H new ATOM 1468 N LEU A 98 1.656 6.496 -0.556 1.00 0.00 N ATOM 1469 CA LEU A 98 2.682 5.632 0.002 1.00 0.00 C ATOM 1470 C LEU A 98 4.023 6.370 -0.007 1.00 0.00 C ATOM 1471 O LEU A 98 4.919 6.045 0.770 1.00 0.00 O ATOM 1472 CB LEU A 98 2.713 4.291 -0.733 1.00 0.00 C ATOM 1473 CG LEU A 98 1.369 3.574 -0.877 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.553 2.180 -1.481 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.628 3.526 0.461 1.00 0.00 C ATOM 0 H LEU A 98 1.619 6.511 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 98 2.455 5.393 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.124 4.455 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.402 3.628 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 98 0.749 4.145 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.583 1.692 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.009 2.268 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.198 1.586 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.324 3.011 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.233 2.991 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.446 4.541 0.813 1.00 0.00 H new ATOM 1487 N GLN A 99 4.118 7.348 -0.895 1.00 0.00 N ATOM 1488 CA GLN A 99 5.334 8.134 -1.016 1.00 0.00 C ATOM 1489 C GLN A 99 5.661 8.813 0.315 1.00 0.00 C ATOM 1490 O GLN A 99 4.903 9.660 0.787 1.00 0.00 O ATOM 1491 CB GLN A 99 5.212 9.163 -2.141 1.00 0.00 C ATOM 1492 CG GLN A 99 5.782 8.614 -3.451 1.00 0.00 C ATOM 1493 CD GLN A 99 6.051 9.743 -4.448 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.556 10.851 -4.319 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.861 9.401 -5.446 1.00 0.00 N ATOM 0 H GLN A 99 3.372 7.614 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 99 6.154 7.462 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.165 9.432 -2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.741 10.075 -1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.707 8.073 -3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.082 7.900 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.241 8.455 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.103 10.084 -6.164 1.00 0.00 H new ATOM 1504 N GLY A 100 6.791 8.417 0.883 1.00 0.00 N ATOM 1505 CA GLY A 100 7.227 8.977 2.151 1.00 0.00 C ATOM 1506 C GLY A 100 6.851 8.059 3.315 1.00 0.00 C ATOM 1507 O GLY A 100 7.520 8.052 4.347 1.00 0.00 O ATOM 0 H GLY A 100 7.417 7.715 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.307 9.126 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.773 9.957 2.295 1.00 0.00 H new ATOM 1511 N ALA A 101 5.780 7.305 3.110 1.00 0.00 N ATOM 1512 CA ALA A 101 5.306 6.385 4.130 1.00 0.00 C ATOM 1513 C ALA A 101 6.367 5.309 4.372 1.00 0.00 C ATOM 1514 O ALA A 101 7.075 4.911 3.449 1.00 0.00 O ATOM 1515 CB ALA A 101 3.963 5.793 3.699 1.00 0.00 C ATOM 0 H ALA A 101 5.227 7.313 2.253 1.00 0.00 H new ATOM 0 HA ALA A 101 5.144 6.907 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.607 5.103 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.237 6.595 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.087 5.258 2.757 1.00 0.00 H new ATOM 1521 N THR A 102 6.443 4.869 5.620 1.00 0.00 N ATOM 1522 CA THR A 102 7.406 3.848 5.996 1.00 0.00 C ATOM 1523 C THR A 102 6.834 2.453 5.730 1.00 0.00 C ATOM 1524 O THR A 102 5.652 2.312 5.422 1.00 0.00 O ATOM 1525 CB THR A 102 7.793 4.077 7.458 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.739 3.466 8.196 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.721 5.552 7.858 1.00 0.00 C ATOM 0 H THR A 102 5.853 5.201 6.383 1.00 0.00 H new ATOM 0 HA THR A 102 8.311 3.916 5.392 1.00 0.00 H new ATOM 0 HB THR A 102 8.802 3.703 7.629 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.911 3.566 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.005 5.659 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.403 6.131 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.704 5.917 7.719 1.00 0.00 H new ATOM 1535 N PHE A 103 7.701 1.459 5.859 1.00 0.00 N ATOM 1536 CA PHE A 103 7.297 0.081 5.637 1.00 0.00 C ATOM 1537 C PHE A 103 6.012 -0.243 6.401 1.00 0.00 C ATOM 1538 O PHE A 103 5.092 -0.845 5.848 1.00 0.00 O ATOM 1539 CB PHE A 103 8.427 -0.806 6.164 1.00 0.00 C ATOM 1540 CG PHE A 103 8.109 -2.302 6.132 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.388 -3.034 5.020 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.547 -2.901 7.217 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.093 -4.422 4.991 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.252 -4.290 7.188 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.531 -5.021 6.076 1.00 0.00 C ATOM 0 H PHE A 103 8.681 1.581 6.114 1.00 0.00 H new ATOM 0 HA PHE A 103 7.109 -0.086 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.325 -0.623 5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.655 -0.515 7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.834 -2.559 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.325 -2.320 8.100 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.315 -5.003 4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.806 -4.766 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.307 -6.077 6.054 1.00 0.00 H new ATOM 1555 N GLU A 104 5.989 0.169 7.660 1.00 0.00 N ATOM 1556 CA GLU A 104 4.832 -0.070 8.505 1.00 0.00 C ATOM 1557 C GLU A 104 3.616 0.687 7.967 1.00 0.00 C ATOM 1558 O GLU A 104 2.568 0.091 7.720 1.00 0.00 O ATOM 1559 CB GLU A 104 5.122 0.319 9.956 1.00 0.00 C ATOM 1560 CG GLU A 104 6.198 -0.585 10.561 1.00 0.00 C ATOM 1561 CD GLU A 104 5.674 -1.301 11.808 1.00 0.00 C ATOM 1562 OE1 GLU A 104 5.387 -0.589 12.794 1.00 0.00 O ATOM 1563 OE2 GLU A 104 5.573 -2.546 11.746 1.00 0.00 O ATOM 0 H GLU A 104 6.754 0.667 8.115 1.00 0.00 H new ATOM 0 HA GLU A 104 4.609 -1.137 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.448 1.358 9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.208 0.247 10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.518 -1.320 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.074 0.009 10.820 1.00 0.00 H new ATOM 1570 N GLU A 105 3.795 1.989 7.801 1.00 0.00 N ATOM 1571 CA GLU A 105 2.726 2.833 7.297 1.00 0.00 C ATOM 1572 C GLU A 105 2.094 2.204 6.053 1.00 0.00 C ATOM 1573 O GLU A 105 0.893 1.940 6.029 1.00 0.00 O ATOM 1574 CB GLU A 105 3.236 4.245 6.999 1.00 0.00 C ATOM 1575 CG GLU A 105 3.338 5.073 8.281 1.00 0.00 C ATOM 1576 CD GLU A 105 3.626 6.542 7.963 1.00 0.00 C ATOM 1577 OE1 GLU A 105 4.582 6.779 7.194 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.884 7.394 8.497 1.00 0.00 O ATOM 0 H GLU A 105 4.665 2.480 8.007 1.00 0.00 H new ATOM 0 HA GLU A 105 1.960 2.914 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.213 4.189 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.564 4.737 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.408 4.995 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.129 4.672 8.915 1.00 0.00 H new ATOM 1585 N VAL A 106 2.932 1.983 5.051 1.00 0.00 N ATOM 1586 CA VAL A 106 2.471 1.390 3.807 1.00 0.00 C ATOM 1587 C VAL A 106 1.676 0.120 4.117 1.00 0.00 C ATOM 1588 O VAL A 106 0.580 -0.074 3.593 1.00 0.00 O ATOM 1589 CB VAL A 106 3.658 1.140 2.875 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.228 0.343 1.642 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.325 2.456 2.472 1.00 0.00 C ATOM 0 H VAL A 106 3.928 2.204 5.075 1.00 0.00 H new ATOM 0 HA VAL A 106 1.802 2.073 3.283 1.00 0.00 H new ATOM 0 HB VAL A 106 4.392 0.546 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.090 0.179 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.820 -0.618 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.466 0.900 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.166 2.250 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.602 3.087 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.683 2.970 3.364 1.00 0.00 H new ATOM 1601 N TYR A 107 2.259 -0.713 4.967 1.00 0.00 N ATOM 1602 CA TYR A 107 1.619 -1.959 5.352 1.00 0.00 C ATOM 1603 C TYR A 107 0.285 -1.695 6.054 1.00 0.00 C ATOM 1604 O TYR A 107 -0.751 -2.215 5.642 1.00 0.00 O ATOM 1605 CB TYR A 107 2.574 -2.637 6.336 1.00 0.00 C ATOM 1606 CG TYR A 107 2.246 -4.106 6.609 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.029 -4.451 7.161 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.167 -5.087 6.302 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.721 -5.834 7.418 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.859 -6.470 6.559 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.651 -6.775 7.104 1.00 0.00 C ATOM 1612 OH TYR A 107 1.360 -8.082 7.346 1.00 0.00 O ATOM 0 H TYR A 107 3.168 -0.549 5.400 1.00 0.00 H new ATOM 0 HA TYR A 107 1.417 -2.574 4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.590 -2.568 5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.557 -2.090 7.279 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.308 -3.684 7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.119 -4.817 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.227 -6.117 7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.571 -7.247 6.324 1.00 0.00 H new ATOM 0 HH TYR A 107 2.116 -8.642 7.071 1.00 0.00 H new ATOM 1622 N ASN A 108 0.354 -0.889 7.103 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.836 -0.550 7.866 1.00 0.00 C ATOM 1624 C ASN A 108 -1.984 -0.243 6.903 1.00 0.00 C ATOM 1625 O ASN A 108 -3.085 -0.769 7.056 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.600 0.689 8.732 1.00 0.00 C ATOM 1627 CG ASN A 108 0.032 0.309 10.072 1.00 0.00 C ATOM 1628 OD1 ASN A 108 0.091 -0.848 10.455 1.00 0.00 O ATOM 1629 ND2 ASN A 108 0.501 1.345 10.762 1.00 0.00 N ATOM 0 H ASN A 108 1.215 -0.461 7.443 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.078 -1.397 8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.050 1.387 8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.546 1.202 8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.942 1.196 11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 108 0.420 2.289 10.384 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.687 0.608 5.931 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.681 0.991 4.943 1.00 0.00 C ATOM 1638 C ILE A 109 -3.393 -0.262 4.428 1.00 0.00 C ATOM 1639 O ILE A 109 -4.543 -0.516 4.782 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.041 1.833 3.837 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.476 3.139 4.400 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.028 2.080 2.695 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.390 3.706 3.483 1.00 0.00 C ATOM 0 H ILE A 109 -0.773 1.043 5.807 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.442 1.627 5.396 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.203 1.272 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.279 3.868 4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.063 2.963 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.548 2.681 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.340 1.126 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.901 2.610 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.005 4.634 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.422 2.985 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.812 3.904 2.498 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.678 -1.011 3.602 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.227 -2.231 3.035 1.00 0.00 C ATOM 1657 C ILE A 110 -4.024 -2.974 4.109 1.00 0.00 C ATOM 1658 O ILE A 110 -5.022 -3.627 3.806 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.118 -3.073 2.400 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.602 -2.421 1.116 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.587 -4.510 2.164 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.081 -2.254 1.159 1.00 0.00 C ATOM 0 H ILE A 110 -1.724 -0.797 3.312 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.921 -1.997 2.227 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.282 -3.118 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.880 -3.031 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.075 -1.448 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.780 -5.087 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.867 -4.962 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.448 -4.507 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.260 -1.788 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.192 -1.623 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.389 -3.231 1.268 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.554 -2.850 5.341 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.211 -3.501 6.462 1.00 0.00 C ATOM 1676 C LEU A 111 -5.572 -2.844 6.702 1.00 0.00 C ATOM 1677 O LEU A 111 -6.602 -3.515 6.676 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.301 -3.499 7.692 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.000 -4.867 8.307 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -2.351 -4.718 9.684 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.260 -5.734 8.358 1.00 0.00 C ATOM 0 H LEU A 111 -2.726 -2.308 5.588 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.399 -4.551 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.356 -3.030 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.759 -2.872 8.457 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.282 -5.379 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.147 -5.705 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.417 -4.165 9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.026 -4.178 10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.019 -6.701 8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.019 -5.238 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.641 -5.881 7.348 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.531 -1.540 6.930 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.748 -0.785 7.174 1.00 0.00 C ATOM 1695 C GLU A 112 -7.711 -0.933 5.995 1.00 0.00 C ATOM 1696 O GLU A 112 -8.900 -0.642 6.119 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.434 0.688 7.444 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.612 0.848 8.725 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.209 1.930 9.628 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.388 1.766 10.008 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.472 2.898 9.916 1.00 0.00 O ATOM 0 H GLU A 112 -4.674 -0.987 6.951 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.230 -1.189 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.885 1.107 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.363 1.251 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.579 -0.101 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.584 1.107 8.472 1.00 0.00 H new ATOM 1708 N SER A 113 -7.162 -1.386 4.877 1.00 0.00 N ATOM 1709 CA SER A 113 -7.957 -1.576 3.676 1.00 0.00 C ATOM 1710 C SER A 113 -7.803 -3.011 3.169 1.00 0.00 C ATOM 1711 O SER A 113 -7.990 -3.277 1.983 1.00 0.00 O ATOM 1712 CB SER A 113 -7.555 -0.581 2.586 1.00 0.00 C ATOM 1713 OG SER A 113 -6.144 -0.544 2.392 1.00 0.00 O ATOM 0 H SER A 113 -6.176 -1.627 4.778 1.00 0.00 H new ATOM 0 HA SER A 113 -9.003 -1.396 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.043 -0.852 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.910 0.414 2.854 1.00 0.00 H new ATOM 0 HG SER A 113 -5.699 -0.391 3.252 1.00 0.00 H new ATOM 1719 N LYS A 114 -7.464 -3.899 4.093 1.00 0.00 N ATOM 1720 CA LYS A 114 -7.283 -5.300 3.754 1.00 0.00 C ATOM 1721 C LYS A 114 -8.651 -5.948 3.532 1.00 0.00 C ATOM 1722 O LYS A 114 -8.897 -6.547 2.487 1.00 0.00 O ATOM 1723 CB LYS A 114 -6.435 -6.003 4.815 1.00 0.00 C ATOM 1724 CG LYS A 114 -5.089 -6.446 4.237 1.00 0.00 C ATOM 1725 CD LYS A 114 -4.575 -7.701 4.945 1.00 0.00 C ATOM 1726 CE LYS A 114 -3.082 -7.582 5.257 1.00 0.00 C ATOM 1727 NZ LYS A 114 -2.440 -8.915 5.235 1.00 0.00 N ATOM 0 H LYS A 114 -7.310 -3.675 5.076 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.729 -5.397 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.270 -5.331 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.973 -6.870 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.194 -6.643 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.361 -5.641 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.132 -7.855 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.750 -8.575 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.603 -6.929 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.944 -7.122 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.427 -8.816 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.886 -9.527 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.555 -9.340 4.293 1.00 0.00 H new ATOM 1741 N PRO A 115 -9.530 -5.801 4.560 1.00 0.00 N ATOM 1742 CA PRO A 115 -10.867 -6.365 4.488 1.00 0.00 C ATOM 1743 C PRO A 115 -11.761 -5.539 3.561 1.00 0.00 C ATOM 1744 O PRO A 115 -12.854 -5.971 3.200 1.00 0.00 O ATOM 1745 CB PRO A 115 -11.362 -6.388 5.925 1.00 0.00 C ATOM 1746 CG PRO A 115 -10.477 -5.415 6.687 1.00 0.00 C ATOM 1747 CD PRO A 115 -9.274 -5.098 5.814 1.00 0.00 C ATOM 0 HA PRO A 115 -10.878 -7.368 4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.409 -6.090 5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.292 -7.391 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.027 -4.504 6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.158 -5.851 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.174 -4.025 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.348 -5.439 6.277 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.263 -4.364 3.203 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.003 -3.474 2.325 1.00 0.00 C ATOM 1757 C GLU A 116 -12.581 -4.254 1.143 1.00 0.00 C ATOM 1758 O GLU A 116 -12.009 -5.255 0.715 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.120 -2.322 1.842 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.455 -1.026 2.583 1.00 0.00 C ATOM 1761 CD GLU A 116 -12.251 -0.073 1.689 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.762 0.198 0.571 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -13.331 0.362 2.143 1.00 0.00 O ATOM 0 H GLU A 116 -10.356 -4.008 3.505 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.830 -3.043 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.071 -2.573 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.258 -2.178 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.030 -1.254 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.535 -0.541 2.909 1.00 0.00 H new ATOM 1770 N PRO A 117 -13.739 -3.753 0.635 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.401 -4.392 -0.490 1.00 0.00 C ATOM 1772 C PRO A 117 -13.661 -4.103 -1.798 1.00 0.00 C ATOM 1773 O PRO A 117 -13.627 -4.945 -2.694 1.00 0.00 O ATOM 1774 CB PRO A 117 -15.818 -3.843 -0.475 1.00 0.00 C ATOM 1775 CG PRO A 117 -15.766 -2.576 0.363 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.445 -2.569 1.115 1.00 0.00 C ATOM 0 HA PRO A 117 -14.408 -5.479 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.164 -3.628 -1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.512 -4.566 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.848 -1.694 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.603 -2.545 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.878 -1.660 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.603 -2.612 2.193 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.087 -2.911 -1.865 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.350 -2.501 -3.049 1.00 0.00 C ATOM 1786 C GLN A 118 -11.067 -1.771 -2.648 1.00 0.00 C ATOM 1787 O GLN A 118 -10.907 -1.376 -1.494 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.217 -1.628 -3.959 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.420 -0.238 -3.354 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.807 0.311 -3.695 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.963 0.629 -4.977 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.678 0.436 -2.850 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.117 -2.216 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.076 -3.394 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.746 -1.537 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.184 -2.106 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.301 -0.288 -2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.654 0.441 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.492 0.172 -1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.593 0.804 -3.111 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.185 -1.613 -3.624 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.921 -0.937 -3.388 1.00 0.00 C ATOM 1803 C VAL A 119 -8.500 -0.193 -4.657 1.00 0.00 C ATOM 1804 O VAL A 119 -8.293 -0.808 -5.702 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.871 -1.942 -2.909 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.570 -1.235 -2.523 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.405 -2.780 -1.746 1.00 0.00 C ATOM 0 H VAL A 119 -10.321 -1.942 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.027 -0.195 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.652 -2.617 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.841 -1.972 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.175 -0.703 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.766 -0.525 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.639 -3.486 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.666 -2.125 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.291 -3.327 -2.068 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.387 1.121 -4.524 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.995 1.955 -5.647 1.00 0.00 C ATOM 1819 C GLU A 120 -6.504 2.288 -5.566 1.00 0.00 C ATOM 1820 O GLU A 120 -6.097 3.148 -4.786 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.839 3.230 -5.703 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.498 4.059 -6.943 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.995 5.499 -6.795 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -10.229 5.683 -6.873 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -8.130 6.381 -6.606 1.00 0.00 O ATOM 0 H GLU A 120 -8.560 1.628 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.174 1.399 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.897 2.970 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.667 3.824 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.419 4.057 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.949 3.604 -7.824 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.729 1.590 -6.383 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.292 1.800 -6.414 1.00 0.00 C ATOM 1834 C LEU A 121 -3.965 2.919 -7.405 1.00 0.00 C ATOM 1835 O LEU A 121 -4.785 3.256 -8.258 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.564 0.487 -6.708 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.066 -0.292 -5.489 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.205 -0.549 -4.500 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -2.371 -1.588 -5.912 1.00 0.00 C ATOM 0 H LEU A 121 -6.070 0.878 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.934 2.124 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.234 -0.157 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.710 0.704 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.324 0.318 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.824 -1.104 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.616 0.403 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.988 -1.129 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.027 -2.122 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.073 -2.214 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.518 -1.352 -6.548 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.767 3.466 -7.258 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.323 4.540 -8.129 1.00 0.00 C ATOM 1853 C VAL A 122 -0.807 4.447 -8.313 1.00 0.00 C ATOM 1854 O VAL A 122 -0.047 4.713 -7.383 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.776 5.890 -7.569 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.440 7.026 -8.537 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.269 5.873 -7.239 1.00 0.00 C ATOM 0 H VAL A 122 -2.090 3.185 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.777 4.444 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.231 6.069 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.773 7.974 -8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.363 7.059 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.945 6.855 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.565 6.844 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.839 5.661 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.468 5.102 -6.495 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.411 4.069 -9.520 1.00 0.00 N ATOM 1868 CA VAL A 123 1.001 3.938 -9.838 1.00 0.00 C ATOM 1869 C VAL A 123 1.424 5.096 -10.744 1.00 0.00 C ATOM 1870 O VAL A 123 0.582 5.747 -11.360 1.00 0.00 O ATOM 1871 CB VAL A 123 1.273 2.565 -10.455 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.126 2.140 -11.374 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.608 2.555 -11.203 1.00 0.00 C ATOM 0 H VAL A 123 -1.044 3.849 -10.289 1.00 0.00 H new ATOM 0 HA VAL A 123 1.604 3.997 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 123 1.338 1.840 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.345 1.161 -11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.800 2.088 -10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.015 2.868 -12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.777 1.567 -11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.584 3.298 -12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.415 2.793 -10.510 1.00 0.00 H new ATOM 1883 N SER A 124 2.730 5.316 -10.798 1.00 0.00 N ATOM 1884 CA SER A 124 3.276 6.384 -11.619 1.00 0.00 C ATOM 1885 C SER A 124 4.624 5.957 -12.203 1.00 0.00 C ATOM 1886 O SER A 124 5.561 5.666 -11.462 1.00 0.00 O ATOM 1887 CB SER A 124 3.430 7.674 -10.812 1.00 0.00 C ATOM 1888 OG SER A 124 2.188 8.351 -10.643 1.00 0.00 O ATOM 0 H SER A 124 3.426 4.773 -10.287 1.00 0.00 H new ATOM 0 HA SER A 124 2.580 6.580 -12.435 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.852 7.441 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.137 8.334 -11.315 1.00 0.00 H new ATOM 0 HG SER A 124 1.456 7.771 -10.941 1.00 0.00 H new ATOM 1894 N ARG A 125 4.679 5.935 -13.526 1.00 0.00 N ATOM 1895 CA ARG A 125 5.897 5.549 -14.218 1.00 0.00 C ATOM 1896 C ARG A 125 6.309 6.636 -15.214 1.00 0.00 C ATOM 1897 O ARG A 125 5.485 7.454 -15.621 1.00 0.00 O ATOM 1898 CB ARG A 125 5.711 4.227 -14.965 1.00 0.00 C ATOM 1899 CG ARG A 125 4.895 4.429 -16.244 1.00 0.00 C ATOM 1900 CD ARG A 125 3.656 3.532 -16.251 1.00 0.00 C ATOM 1901 NE ARG A 125 4.003 2.186 -15.741 1.00 0.00 N ATOM 1902 CZ ARG A 125 4.487 1.196 -16.503 1.00 0.00 C ATOM 1903 NH1 ARG A 125 4.685 1.395 -17.814 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.774 0.007 -15.955 1.00 0.00 N ATOM 0 H ARG A 125 3.900 6.178 -14.138 1.00 0.00 H new ATOM 0 HA ARG A 125 6.678 5.423 -13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.685 3.806 -15.214 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.208 3.508 -14.319 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.593 5.473 -16.326 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.514 4.207 -17.113 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.874 3.973 -15.634 1.00 0.00 H new ATOM 0 HD3 ARG A 125 3.258 3.455 -17.263 1.00 0.00 H new ATOM 0 HE ARG A 125 3.865 2.001 -14.747 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.467 2.300 -18.231 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.053 0.641 -18.394 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.624 -0.144 -14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.142 -0.746 -16.535 1.00 0.00 H new ATOM 1918 N SER A 126 7.583 6.609 -15.577 1.00 0.00 N ATOM 1919 CA SER A 126 8.114 7.582 -16.516 1.00 0.00 C ATOM 1920 C SER A 126 7.971 7.059 -17.947 1.00 0.00 C ATOM 1921 O SER A 126 8.535 6.022 -18.292 1.00 0.00 O ATOM 1922 CB SER A 126 9.579 7.899 -16.211 1.00 0.00 C ATOM 1923 OG SER A 126 9.790 9.292 -15.995 1.00 0.00 O ATOM 0 H SER A 126 8.263 5.929 -15.238 1.00 0.00 H new ATOM 0 HA SER A 126 7.542 8.504 -16.414 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.894 7.343 -15.328 1.00 0.00 H new ATOM 0 HB3 SER A 126 10.203 7.562 -17.039 1.00 0.00 H new ATOM 0 HG SER A 126 10.737 9.453 -15.802 1.00 0.00 H new