USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=19 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 Set 1.1: A 94 ASN : amide:sc= -2.5! C(o=-2.5!,f=-14!) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -1.28! K(o=-1.3!,f=-0.45) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -6.96! K(o=-7!,f=-1.3) USER MOD Single : A 21 SER OG : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.579 K(o=-0.58,f=-7.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -57:sc= 1.1 USER MOD Single : A 49 MET CE :methyl 153:sc= 0 (180deg=-0.573) USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00262) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 135:sc= -4.21! (180deg=-10.1!) USER MOD Single : A 60 THR OG1 : rot -97:sc= 0.823 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 44:sc= -0.842 USER MOD Single : A 70 THR OG1 : rot -110:sc= -0.837 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -106:sc= 0.822 USER MOD Single : A 80 THR OG1 : rot -82:sc= 0.572 USER MOD Single : A 83 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.61) USER MOD Single : A 99 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.335 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.4!) USER MOD Single : A 114 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00264) USER MOD Single : A 118 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.055) USER MOD Single : A 124 SER OG : rot 11:sc= -1.56 USER MOD Single : A 126 SER OG : rot -4:sc= 0.979 USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.613 2.740 -15.276 1.00 0.00 N ATOM 157 CA HIS A 14 -13.354 2.082 -15.583 1.00 0.00 C ATOM 158 C HIS A 14 -12.523 1.945 -14.306 1.00 0.00 C ATOM 159 O HIS A 14 -12.180 2.942 -13.674 1.00 0.00 O ATOM 160 CB HIS A 14 -12.612 2.823 -16.697 1.00 0.00 C ATOM 161 CG HIS A 14 -12.701 4.327 -16.600 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.308 5.169 -17.626 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.143 5.130 -15.590 1.00 0.00 C ATOM 164 CE1 HIS A 14 -12.508 6.420 -17.239 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.025 6.394 -15.977 1.00 0.00 N ATOM 0 HA HIS A 14 -13.546 1.077 -15.960 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.562 2.530 -16.678 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -13.014 2.507 -17.660 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.524 4.794 -14.637 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.298 7.305 -17.821 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.279 7.211 -15.422 1.00 0.00 H new ATOM 173 N PRO A 15 -12.215 0.667 -13.956 1.00 0.00 N ATOM 174 CA PRO A 15 -11.430 0.386 -12.766 1.00 0.00 C ATOM 175 C PRO A 15 -9.953 0.717 -12.992 1.00 0.00 C ATOM 176 O PRO A 15 -9.314 1.335 -12.142 1.00 0.00 O ATOM 177 CB PRO A 15 -11.671 -1.086 -12.474 1.00 0.00 C ATOM 178 CG PRO A 15 -12.204 -1.685 -13.766 1.00 0.00 C ATOM 179 CD PRO A 15 -12.604 -0.539 -14.681 1.00 0.00 C ATOM 0 HA PRO A 15 -11.723 1.000 -11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.749 -1.579 -12.166 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.386 -1.211 -11.661 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.444 -2.305 -14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.060 -2.329 -13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.095 -0.604 -15.643 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.675 -0.550 -14.885 1.00 0.00 H new ATOM 187 N VAL A 16 -9.454 0.291 -14.143 1.00 0.00 N ATOM 188 CA VAL A 16 -8.064 0.534 -14.492 1.00 0.00 C ATOM 189 C VAL A 16 -7.988 1.694 -15.487 1.00 0.00 C ATOM 190 O VAL A 16 -8.746 1.737 -16.455 1.00 0.00 O ATOM 191 CB VAL A 16 -7.425 -0.751 -15.022 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.920 -0.570 -15.230 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.713 -1.931 -14.092 1.00 0.00 C ATOM 0 H VAL A 16 -9.987 -0.221 -14.846 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.494 0.824 -13.610 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.872 -0.972 -15.991 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.491 -1.498 -15.607 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.746 0.229 -15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.450 -0.312 -14.281 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.247 -2.832 -14.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.307 -1.722 -13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.790 -2.082 -14.018 1.00 0.00 H new ATOM 203 N THR A 17 -7.067 2.606 -15.214 1.00 0.00 N ATOM 204 CA THR A 17 -6.882 3.763 -16.073 1.00 0.00 C ATOM 205 C THR A 17 -5.418 4.207 -16.062 1.00 0.00 C ATOM 206 O THR A 17 -4.846 4.447 -14.999 1.00 0.00 O ATOM 207 CB THR A 17 -7.851 4.854 -15.612 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.101 4.541 -14.244 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.224 4.736 -16.277 1.00 0.00 C ATOM 0 H THR A 17 -6.441 2.567 -14.410 1.00 0.00 H new ATOM 0 HA THR A 17 -7.109 3.524 -17.112 1.00 0.00 H new ATOM 0 HB THR A 17 -7.425 5.833 -15.829 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.719 5.200 -13.865 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.873 5.533 -15.915 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.113 4.820 -17.358 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.665 3.770 -16.032 1.00 0.00 H new ATOM 217 N TRP A 18 -4.853 4.304 -17.256 1.00 0.00 N ATOM 218 CA TRP A 18 -3.467 4.716 -17.397 1.00 0.00 C ATOM 219 C TRP A 18 -3.439 6.017 -18.201 1.00 0.00 C ATOM 220 O TRP A 18 -3.697 6.014 -19.404 1.00 0.00 O ATOM 221 CB TRP A 18 -2.627 3.604 -18.030 1.00 0.00 C ATOM 222 CG TRP A 18 -2.435 2.381 -17.131 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.231 1.310 -17.013 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.338 2.145 -16.223 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.731 0.405 -16.100 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.543 0.929 -15.604 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.210 2.934 -15.934 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.661 0.393 -14.657 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.661 2.383 -14.986 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.469 1.161 -14.354 1.00 0.00 C ATOM 0 H TRP A 18 -5.330 4.104 -18.135 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.019 4.901 -16.421 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.102 3.288 -18.959 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.649 4.006 -18.293 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.150 1.172 -17.564 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.155 -0.485 -15.837 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.030 3.889 -16.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.843 -0.562 -14.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.544 2.948 -14.728 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.189 0.805 -13.632 1.00 0.00 H new ATOM 241 N GLN A 19 -3.124 7.099 -17.504 1.00 0.00 N ATOM 242 CA GLN A 19 -3.060 8.405 -18.138 1.00 0.00 C ATOM 243 C GLN A 19 -1.775 9.130 -17.731 1.00 0.00 C ATOM 244 O GLN A 19 -1.255 8.912 -16.638 1.00 0.00 O ATOM 245 CB GLN A 19 -4.293 9.243 -17.795 1.00 0.00 C ATOM 246 CG GLN A 19 -5.526 8.354 -17.613 1.00 0.00 C ATOM 247 CD GLN A 19 -5.804 8.101 -16.130 1.00 0.00 C ATOM 248 OE1 GLN A 19 -6.496 8.854 -15.464 1.00 0.00 O ATOM 249 NE2 GLN A 19 -5.228 7.002 -15.651 1.00 0.00 N ATOM 0 H GLN A 19 -2.910 7.098 -16.507 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.048 8.262 -19.218 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.110 9.809 -16.882 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.477 9.968 -18.588 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.392 8.829 -18.073 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.373 7.404 -18.125 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.661 6.415 -16.263 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.353 6.746 -14.672 1.00 0.00 H new ATOM 258 N PRO A 20 -1.287 9.999 -18.657 1.00 0.00 N ATOM 259 CA PRO A 20 -0.073 10.757 -18.405 1.00 0.00 C ATOM 260 C PRO A 20 -0.334 11.898 -17.420 1.00 0.00 C ATOM 261 O PRO A 20 -1.478 12.301 -17.220 1.00 0.00 O ATOM 262 CB PRO A 20 0.377 11.244 -19.773 1.00 0.00 C ATOM 263 CG PRO A 20 -0.842 11.137 -20.675 1.00 0.00 C ATOM 264 CD PRO A 20 -1.877 10.282 -19.962 1.00 0.00 C ATOM 0 HA PRO A 20 0.707 10.159 -17.933 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.737 12.272 -19.723 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.199 10.637 -20.153 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.246 12.126 -20.889 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.571 10.690 -21.631 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.826 10.809 -19.862 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.080 9.363 -20.513 1.00 0.00 H new ATOM 272 N SER A 21 0.748 12.386 -16.831 1.00 0.00 N ATOM 273 CA SER A 21 0.651 13.473 -15.871 1.00 0.00 C ATOM 274 C SER A 21 0.446 14.801 -16.603 1.00 0.00 C ATOM 275 O SER A 21 0.341 14.828 -17.828 1.00 0.00 O ATOM 276 CB SER A 21 1.899 13.541 -14.988 1.00 0.00 C ATOM 277 OG SER A 21 2.953 14.272 -15.608 1.00 0.00 O ATOM 0 H SER A 21 1.696 12.049 -17.000 1.00 0.00 H new ATOM 0 HA SER A 21 -0.207 13.284 -15.226 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.645 14.008 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.241 12.530 -14.765 1.00 0.00 H new ATOM 0 HG SER A 21 3.668 14.431 -14.957 1.00 0.00 H new ATOM 283 N LYS A 22 0.396 15.869 -15.822 1.00 0.00 N ATOM 284 CA LYS A 22 0.206 17.197 -16.380 1.00 0.00 C ATOM 285 C LYS A 22 1.240 17.435 -17.482 1.00 0.00 C ATOM 286 O LYS A 22 0.910 17.958 -18.546 1.00 0.00 O ATOM 287 CB LYS A 22 0.233 18.253 -15.273 1.00 0.00 C ATOM 288 CG LYS A 22 -1.162 18.836 -15.037 1.00 0.00 C ATOM 289 CD LYS A 22 -1.077 20.289 -14.568 1.00 0.00 C ATOM 290 CE LYS A 22 -2.343 20.697 -13.813 1.00 0.00 C ATOM 291 NZ LYS A 22 -3.148 21.640 -14.621 1.00 0.00 N ATOM 0 H LYS A 22 0.484 15.842 -14.806 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.778 17.279 -16.842 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.606 17.808 -14.350 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.924 19.052 -15.544 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.744 18.781 -15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.688 18.240 -14.291 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.208 20.416 -13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.935 20.944 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.935 19.812 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.074 21.160 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.004 21.907 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.586 22.492 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.421 21.185 -15.516 1.00 0.00 H new ATOM 305 N ASP A 23 2.470 17.039 -17.191 1.00 0.00 N ATOM 306 CA ASP A 23 3.555 17.203 -18.144 1.00 0.00 C ATOM 307 C ASP A 23 3.391 16.186 -19.275 1.00 0.00 C ATOM 308 O ASP A 23 3.154 16.561 -20.422 1.00 0.00 O ATOM 309 CB ASP A 23 4.912 16.959 -17.481 1.00 0.00 C ATOM 310 CG ASP A 23 5.985 18.001 -17.801 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.869 18.621 -18.880 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.896 18.155 -16.960 1.00 0.00 O ATOM 0 H ASP A 23 2.740 16.605 -16.308 1.00 0.00 H new ATOM 0 HA ASP A 23 3.519 18.224 -18.525 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.771 16.925 -16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.277 15.978 -17.786 1.00 0.00 H new ATOM 317 N GLY A 24 3.525 14.918 -18.913 1.00 0.00 N ATOM 318 CA GLY A 24 3.395 13.845 -19.883 1.00 0.00 C ATOM 319 C GLY A 24 4.549 12.848 -19.755 1.00 0.00 C ATOM 320 O GLY A 24 4.365 11.650 -19.967 1.00 0.00 O ATOM 0 H GLY A 24 3.722 14.610 -17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.446 13.329 -19.735 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.379 14.261 -20.891 1.00 0.00 H new ATOM 324 N ASP A 25 5.712 13.379 -19.409 1.00 0.00 N ATOM 325 CA ASP A 25 6.895 12.551 -19.251 1.00 0.00 C ATOM 326 C ASP A 25 6.608 11.447 -18.231 1.00 0.00 C ATOM 327 O ASP A 25 7.299 10.431 -18.199 1.00 0.00 O ATOM 328 CB ASP A 25 8.078 13.373 -18.736 1.00 0.00 C ATOM 329 CG ASP A 25 8.330 14.683 -19.485 1.00 0.00 C ATOM 330 OD1 ASP A 25 7.585 15.648 -19.207 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.261 14.691 -20.319 1.00 0.00 O ATOM 0 H ASP A 25 5.860 14.373 -19.234 1.00 0.00 H new ATOM 0 HA ASP A 25 7.144 12.131 -20.225 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.912 13.600 -17.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.978 12.761 -18.792 1.00 0.00 H new ATOM 336 N ARG A 26 5.586 11.685 -17.422 1.00 0.00 N ATOM 337 CA ARG A 26 5.198 10.724 -16.404 1.00 0.00 C ATOM 338 C ARG A 26 3.853 10.087 -16.760 1.00 0.00 C ATOM 339 O ARG A 26 3.030 10.702 -17.437 1.00 0.00 O ATOM 340 CB ARG A 26 5.092 11.389 -15.030 1.00 0.00 C ATOM 341 CG ARG A 26 6.456 11.444 -14.340 1.00 0.00 C ATOM 342 CD ARG A 26 6.632 10.267 -13.379 1.00 0.00 C ATOM 343 NE ARG A 26 8.065 10.089 -13.054 1.00 0.00 N ATOM 344 CZ ARG A 26 8.514 9.477 -11.949 1.00 0.00 C ATOM 345 NH1 ARG A 26 7.645 8.981 -11.057 1.00 0.00 N ATOM 346 NH2 ARG A 26 9.832 9.361 -11.736 1.00 0.00 N ATOM 0 H ARG A 26 5.015 12.530 -17.451 1.00 0.00 H new ATOM 0 HA ARG A 26 5.969 9.955 -16.364 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.696 12.398 -15.140 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.388 10.836 -14.408 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.247 11.428 -15.089 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.554 12.382 -13.794 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.063 10.444 -12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.237 9.357 -13.830 1.00 0.00 H new ATOM 0 HE ARG A 26 8.754 10.455 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.642 9.069 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.987 8.515 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.493 9.738 -12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.174 8.895 -10.895 1.00 0.00 H new ATOM 360 N LEU A 27 3.671 8.863 -16.288 1.00 0.00 N ATOM 361 CA LEU A 27 2.440 8.136 -16.547 1.00 0.00 C ATOM 362 C LEU A 27 1.777 7.772 -15.217 1.00 0.00 C ATOM 363 O LEU A 27 2.370 7.077 -14.394 1.00 0.00 O ATOM 364 CB LEU A 27 2.710 6.930 -17.450 1.00 0.00 C ATOM 365 CG LEU A 27 1.756 6.752 -18.634 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.378 7.339 -18.321 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.354 7.341 -19.913 1.00 0.00 C ATOM 0 H LEU A 27 4.356 8.356 -15.727 1.00 0.00 H new ATOM 0 HA LEU A 27 1.735 8.763 -17.093 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.726 7.011 -17.836 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.672 6.028 -16.839 1.00 0.00 H new ATOM 0 HG LEU A 27 1.619 5.684 -18.805 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.280 7.199 -19.178 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.044 6.833 -17.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.476 8.404 -18.108 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.656 7.201 -20.739 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.540 8.406 -19.771 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.293 6.836 -20.142 1.00 0.00 H new ATOM 379 N ILE A 28 0.556 8.258 -15.049 1.00 0.00 N ATOM 380 CA ILE A 28 -0.194 7.992 -13.833 1.00 0.00 C ATOM 381 C ILE A 28 -1.174 6.843 -14.083 1.00 0.00 C ATOM 382 O ILE A 28 -2.183 7.021 -14.764 1.00 0.00 O ATOM 383 CB ILE A 28 -0.863 9.271 -13.326 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.078 10.470 -13.455 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.372 9.093 -11.894 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.321 10.289 -12.581 1.00 0.00 C ATOM 0 H ILE A 28 0.067 8.834 -15.734 1.00 0.00 H new ATOM 0 HA ILE A 28 0.476 7.672 -13.035 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.731 9.474 -13.953 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.376 10.592 -14.496 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.446 11.381 -13.164 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.843 10.017 -11.558 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.100 8.283 -11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.536 8.853 -11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.973 11.156 -12.692 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.021 10.191 -11.538 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.856 9.391 -12.890 1.00 0.00 H new ATOM 398 N GLY A 29 -0.841 5.691 -13.520 1.00 0.00 N ATOM 399 CA GLY A 29 -1.679 4.514 -13.674 1.00 0.00 C ATOM 400 C GLY A 29 -2.581 4.320 -12.453 1.00 0.00 C ATOM 401 O GLY A 29 -2.101 4.292 -11.321 1.00 0.00 O ATOM 0 H GLY A 29 -0.003 5.547 -12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.291 4.614 -14.571 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.053 3.633 -13.812 1.00 0.00 H new ATOM 405 N ARG A 30 -3.871 4.190 -12.725 1.00 0.00 N ATOM 406 CA ARG A 30 -4.844 3.999 -11.663 1.00 0.00 C ATOM 407 C ARG A 30 -5.477 2.610 -11.767 1.00 0.00 C ATOM 408 O ARG A 30 -6.134 2.296 -12.759 1.00 0.00 O ATOM 409 CB ARG A 30 -5.945 5.060 -11.728 1.00 0.00 C ATOM 410 CG ARG A 30 -5.957 5.915 -10.459 1.00 0.00 C ATOM 411 CD ARG A 30 -6.104 7.399 -10.800 1.00 0.00 C ATOM 412 NE ARG A 30 -6.371 8.177 -9.569 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.705 9.475 -9.558 1.00 0.00 C ATOM 414 NH1 ARG A 30 -6.815 10.148 -10.711 1.00 0.00 N ATOM 415 NH2 ARG A 30 -6.929 10.099 -8.393 1.00 0.00 N ATOM 0 H ARG A 30 -4.265 4.213 -13.666 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.320 4.093 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.790 5.697 -12.599 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.914 4.577 -11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.778 5.603 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.035 5.756 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.195 7.762 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.918 7.538 -11.512 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.296 7.695 -8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.645 9.673 -11.597 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.069 11.136 -10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.845 9.586 -7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.183 11.087 -8.384 1.00 0.00 H new ATOM 429 N ILE A 31 -5.258 1.816 -10.730 1.00 0.00 N ATOM 430 CA ILE A 31 -5.798 0.468 -10.692 1.00 0.00 C ATOM 431 C ILE A 31 -6.883 0.388 -9.615 1.00 0.00 C ATOM 432 O ILE A 31 -6.843 1.129 -8.634 1.00 0.00 O ATOM 433 CB ILE A 31 -4.675 -0.555 -10.511 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.785 -0.618 -11.754 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.239 -1.928 -10.139 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.585 0.321 -11.617 1.00 0.00 C ATOM 0 H ILE A 31 -4.714 2.080 -9.909 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.272 0.221 -11.642 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.047 -0.230 -9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.436 -1.640 -11.905 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.366 -0.346 -12.636 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.420 -2.637 -10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.796 -1.852 -9.205 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.903 -2.275 -10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.969 0.257 -12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.937 1.345 -11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.993 0.031 -10.749 1.00 0.00 H new ATOM 448 N LEU A 32 -7.825 -0.517 -9.835 1.00 0.00 N ATOM 449 CA LEU A 32 -8.917 -0.703 -8.895 1.00 0.00 C ATOM 450 C LEU A 32 -9.242 -2.195 -8.787 1.00 0.00 C ATOM 451 O LEU A 32 -9.166 -2.924 -9.775 1.00 0.00 O ATOM 452 CB LEU A 32 -10.117 0.160 -9.291 1.00 0.00 C ATOM 453 CG LEU A 32 -11.386 -0.034 -8.459 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.070 -1.358 -8.803 1.00 0.00 C ATOM 455 CD2 LEU A 32 -11.085 0.084 -6.963 1.00 0.00 C ATOM 0 H LEU A 32 -7.855 -1.129 -10.650 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.625 -0.366 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.822 1.208 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.356 -0.042 -10.335 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.084 0.764 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.969 -1.471 -8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.340 -1.364 -9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.388 -2.184 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.004 -0.058 -6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.360 -0.678 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.676 1.072 -6.751 1.00 0.00 H new ATOM 467 N LEU A 33 -9.599 -2.604 -7.578 1.00 0.00 N ATOM 468 CA LEU A 33 -9.936 -3.995 -7.328 1.00 0.00 C ATOM 469 C LEU A 33 -11.202 -4.062 -6.472 1.00 0.00 C ATOM 470 O LEU A 33 -11.413 -3.218 -5.602 1.00 0.00 O ATOM 471 CB LEU A 33 -8.742 -4.734 -6.720 1.00 0.00 C ATOM 472 CG LEU A 33 -7.396 -4.521 -7.415 1.00 0.00 C ATOM 473 CD1 LEU A 33 -6.240 -4.642 -6.421 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.234 -5.474 -8.601 1.00 0.00 C ATOM 0 H LEU A 33 -9.662 -1.996 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.156 -4.509 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.643 -4.428 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.963 -5.801 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.374 -3.506 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.295 -4.486 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.352 -3.891 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.248 -5.636 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.269 -5.301 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.286 -6.504 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.031 -5.296 -9.322 1.00 0.00 H new ATOM 486 N ASN A 34 -12.011 -5.074 -6.747 1.00 0.00 N ATOM 487 CA ASN A 34 -13.251 -5.262 -6.013 1.00 0.00 C ATOM 488 C ASN A 34 -13.217 -6.617 -5.302 1.00 0.00 C ATOM 489 O ASN A 34 -12.344 -7.441 -5.571 1.00 0.00 O ATOM 490 CB ASN A 34 -14.456 -5.253 -6.955 1.00 0.00 C ATOM 491 CG ASN A 34 -15.767 -5.183 -6.168 1.00 0.00 C ATOM 492 OD1 ASN A 34 -15.853 -4.585 -5.108 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.778 -5.826 -6.745 1.00 0.00 N ATOM 0 H ASN A 34 -11.832 -5.773 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.347 -4.445 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.387 -4.401 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.446 -6.151 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.695 -5.839 -6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.636 -6.306 -7.634 1.00 0.00 H new ATOM 500 N LYS A 35 -14.178 -6.806 -4.410 1.00 0.00 N ATOM 501 CA LYS A 35 -14.269 -8.046 -3.659 1.00 0.00 C ATOM 502 C LYS A 35 -15.726 -8.512 -3.627 1.00 0.00 C ATOM 503 O LYS A 35 -16.012 -9.685 -3.867 1.00 0.00 O ATOM 504 CB LYS A 35 -13.646 -7.880 -2.272 1.00 0.00 C ATOM 505 CG LYS A 35 -12.180 -7.455 -2.376 1.00 0.00 C ATOM 506 CD LYS A 35 -11.622 -7.067 -1.005 1.00 0.00 C ATOM 507 CE LYS A 35 -10.223 -7.650 -0.797 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.189 -6.631 -1.084 1.00 0.00 N ATOM 0 H LYS A 35 -14.901 -6.121 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.693 -8.831 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.205 -7.135 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.718 -8.819 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.590 -8.270 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.090 -6.612 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.584 -5.981 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.290 -7.426 -0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.119 -8.004 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.082 -8.513 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.245 -7.043 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.279 -6.313 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.315 -5.819 -0.446 1.00 0.00 H new ATOM 522 N ARG A 36 -16.608 -7.570 -3.329 1.00 0.00 N ATOM 523 CA ARG A 36 -18.029 -7.870 -3.263 1.00 0.00 C ATOM 524 C ARG A 36 -18.413 -8.867 -4.358 1.00 0.00 C ATOM 525 O ARG A 36 -18.408 -8.527 -5.541 1.00 0.00 O ATOM 526 CB ARG A 36 -18.867 -6.600 -3.421 1.00 0.00 C ATOM 527 CG ARG A 36 -18.754 -5.710 -2.182 1.00 0.00 C ATOM 528 CD ARG A 36 -19.231 -4.288 -2.483 1.00 0.00 C ATOM 529 NE ARG A 36 -18.349 -3.661 -3.494 1.00 0.00 N ATOM 530 CZ ARG A 36 -18.594 -2.479 -4.074 1.00 0.00 C ATOM 531 NH1 ARG A 36 -19.694 -1.787 -3.748 1.00 0.00 N ATOM 532 NH2 ARG A 36 -17.738 -1.988 -4.981 1.00 0.00 N ATOM 0 H ARG A 36 -16.367 -6.599 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.231 -8.306 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.535 -6.048 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.911 -6.867 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.347 -6.132 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.719 -5.686 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.258 -4.310 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.230 -3.694 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.502 -4.161 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.345 -2.160 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.880 -0.887 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.900 -2.515 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.924 -1.088 -5.423 1.00 0.00 H new ATOM 546 N LEU A 37 -18.736 -10.077 -3.926 1.00 0.00 N ATOM 547 CA LEU A 37 -19.122 -11.125 -4.856 1.00 0.00 C ATOM 548 C LEU A 37 -20.181 -10.583 -5.818 1.00 0.00 C ATOM 549 O LEU A 37 -20.638 -9.451 -5.670 1.00 0.00 O ATOM 550 CB LEU A 37 -19.564 -12.378 -4.097 1.00 0.00 C ATOM 551 CG LEU A 37 -18.549 -12.957 -3.110 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.247 -13.502 -1.862 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.671 -14.014 -3.783 1.00 0.00 C ATOM 0 H LEU A 37 -18.738 -10.355 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.269 -11.431 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.479 -12.145 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.815 -13.150 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.891 -12.151 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.503 -13.908 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.793 -12.697 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.943 -14.290 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.958 -14.409 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.298 -14.824 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.131 -13.562 -4.615 1.00 0.00 H new ATOM 565 N LYS A 38 -20.540 -11.417 -6.783 1.00 0.00 N ATOM 566 CA LYS A 38 -21.537 -11.036 -7.769 1.00 0.00 C ATOM 567 C LYS A 38 -22.764 -10.468 -7.054 1.00 0.00 C ATOM 568 O LYS A 38 -23.285 -9.423 -7.441 1.00 0.00 O ATOM 569 CB LYS A 38 -21.853 -12.213 -8.693 1.00 0.00 C ATOM 570 CG LYS A 38 -21.728 -11.805 -10.163 1.00 0.00 C ATOM 571 CD LYS A 38 -20.352 -12.176 -10.719 1.00 0.00 C ATOM 572 CE LYS A 38 -20.274 -11.895 -12.221 1.00 0.00 C ATOM 573 NZ LYS A 38 -19.853 -10.498 -12.466 1.00 0.00 N ATOM 0 H LYS A 38 -20.158 -12.355 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.152 -10.248 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.173 -13.038 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.863 -12.573 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.505 -12.297 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.886 -10.731 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.580 -11.609 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.153 -13.231 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.568 -12.581 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.246 -12.074 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.805 -10.324 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.541 -9.848 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.916 -10.339 -12.044 1.00 0.00 H new ATOM 587 N ASP A 39 -23.192 -11.182 -6.023 1.00 0.00 N ATOM 588 CA ASP A 39 -24.349 -10.762 -5.250 1.00 0.00 C ATOM 589 C ASP A 39 -24.132 -9.332 -4.751 1.00 0.00 C ATOM 590 O ASP A 39 -25.074 -8.544 -4.684 1.00 0.00 O ATOM 591 CB ASP A 39 -24.552 -11.662 -4.030 1.00 0.00 C ATOM 592 CG ASP A 39 -24.749 -13.146 -4.347 1.00 0.00 C ATOM 593 OD1 ASP A 39 -25.916 -13.527 -4.580 1.00 0.00 O ATOM 594 OD2 ASP A 39 -23.727 -13.866 -4.349 1.00 0.00 O ATOM 0 H ASP A 39 -22.758 -12.049 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.226 -10.824 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.689 -11.558 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -25.420 -11.306 -3.475 1.00 0.00 H new ATOM 599 N GLY A 40 -22.884 -9.039 -4.414 1.00 0.00 N ATOM 600 CA GLY A 40 -22.532 -7.718 -3.924 1.00 0.00 C ATOM 601 C GLY A 40 -22.116 -7.772 -2.452 1.00 0.00 C ATOM 602 O GLY A 40 -22.338 -6.820 -1.705 1.00 0.00 O ATOM 0 H GLY A 40 -22.105 -9.694 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.717 -7.310 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.381 -7.045 -4.041 1.00 0.00 H new ATOM 606 N SER A 41 -21.521 -8.896 -2.079 1.00 0.00 N ATOM 607 CA SER A 41 -21.073 -9.087 -0.711 1.00 0.00 C ATOM 608 C SER A 41 -19.652 -9.653 -0.700 1.00 0.00 C ATOM 609 O SER A 41 -19.355 -10.610 -1.414 1.00 0.00 O ATOM 610 CB SER A 41 -22.020 -10.013 0.055 1.00 0.00 C ATOM 611 OG SER A 41 -23.304 -9.426 0.244 1.00 0.00 O ATOM 0 H SER A 41 -21.339 -9.684 -2.701 1.00 0.00 H new ATOM 0 HA SER A 41 -21.075 -8.118 -0.212 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.127 -10.952 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.585 -10.254 1.025 1.00 0.00 H new ATOM 0 HG SER A 41 -23.879 -10.049 0.735 1.00 0.00 H new ATOM 617 N VAL A 42 -18.810 -9.039 0.119 1.00 0.00 N ATOM 618 CA VAL A 42 -17.427 -9.470 0.232 1.00 0.00 C ATOM 619 C VAL A 42 -17.374 -10.807 0.975 1.00 0.00 C ATOM 620 O VAL A 42 -18.075 -10.998 1.967 1.00 0.00 O ATOM 621 CB VAL A 42 -16.592 -8.379 0.905 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.165 -8.864 1.168 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.590 -7.097 0.069 1.00 0.00 C ATOM 0 H VAL A 42 -19.059 -8.246 0.711 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.994 -9.629 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.051 -8.151 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.593 -8.069 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.192 -9.736 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.692 -9.133 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.990 -6.337 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.167 -7.304 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.612 -6.735 -0.045 1.00 0.00 H new ATOM 633 N PRO A 43 -16.512 -11.720 0.452 1.00 0.00 N ATOM 634 CA PRO A 43 -16.358 -13.033 1.055 1.00 0.00 C ATOM 635 C PRO A 43 -15.542 -12.951 2.347 1.00 0.00 C ATOM 636 O PRO A 43 -15.190 -11.861 2.795 1.00 0.00 O ATOM 637 CB PRO A 43 -15.692 -13.882 -0.016 1.00 0.00 C ATOM 638 CG PRO A 43 -15.078 -12.902 -1.002 1.00 0.00 C ATOM 639 CD PRO A 43 -15.666 -11.528 -0.721 1.00 0.00 C ATOM 0 HA PRO A 43 -17.309 -13.471 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.930 -14.530 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.418 -14.529 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.993 -12.882 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.292 -13.207 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.883 -10.794 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.244 -11.163 -1.570 1.00 0.00 H new ATOM 647 N ARG A 44 -15.264 -14.119 2.908 1.00 0.00 N ATOM 648 CA ARG A 44 -14.496 -14.193 4.140 1.00 0.00 C ATOM 649 C ARG A 44 -13.085 -13.644 3.919 1.00 0.00 C ATOM 650 O ARG A 44 -12.411 -13.254 4.871 1.00 0.00 O ATOM 651 CB ARG A 44 -14.402 -15.634 4.644 1.00 0.00 C ATOM 652 CG ARG A 44 -15.175 -15.809 5.953 1.00 0.00 C ATOM 653 CD ARG A 44 -14.222 -15.889 7.147 1.00 0.00 C ATOM 654 NE ARG A 44 -13.825 -17.294 7.384 1.00 0.00 N ATOM 655 CZ ARG A 44 -12.932 -17.677 8.308 1.00 0.00 C ATOM 656 NH1 ARG A 44 -12.339 -16.761 9.086 1.00 0.00 N ATOM 657 NH2 ARG A 44 -12.633 -18.975 8.453 1.00 0.00 N ATOM 0 H ARG A 44 -15.557 -15.021 2.533 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.011 -13.591 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.799 -16.313 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.357 -15.902 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.863 -14.974 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.779 -16.715 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.338 -15.280 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.705 -15.484 8.036 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.258 -18.017 6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.567 -15.773 8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.660 -17.052 9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.085 -19.672 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.954 -19.266 9.156 1.00 0.00 H new ATOM 671 N ASP A 45 -12.680 -13.631 2.657 1.00 0.00 N ATOM 672 CA ASP A 45 -11.362 -13.136 2.300 1.00 0.00 C ATOM 673 C ASP A 45 -10.992 -13.645 0.905 1.00 0.00 C ATOM 674 O ASP A 45 -10.710 -14.829 0.726 1.00 0.00 O ATOM 675 CB ASP A 45 -10.301 -13.636 3.282 1.00 0.00 C ATOM 676 CG ASP A 45 -10.618 -14.975 3.950 1.00 0.00 C ATOM 677 OD1 ASP A 45 -10.797 -15.957 3.197 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.675 -14.987 5.199 1.00 0.00 O ATOM 0 H ASP A 45 -13.242 -13.955 1.870 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.392 -12.047 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.352 -13.727 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.163 -12.884 4.058 1.00 0.00 H new ATOM 683 N SER A 46 -11.005 -12.724 -0.048 1.00 0.00 N ATOM 684 CA SER A 46 -10.675 -13.065 -1.422 1.00 0.00 C ATOM 685 C SER A 46 -9.293 -12.514 -1.780 1.00 0.00 C ATOM 686 O SER A 46 -9.125 -11.876 -2.818 1.00 0.00 O ATOM 687 CB SER A 46 -11.729 -12.526 -2.391 1.00 0.00 C ATOM 688 OG SER A 46 -11.258 -12.510 -3.736 1.00 0.00 O ATOM 0 H SER A 46 -11.239 -11.743 0.104 1.00 0.00 H new ATOM 0 HA SER A 46 -10.660 -14.151 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.627 -13.140 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.012 -11.516 -2.094 1.00 0.00 H new ATOM 0 HG SER A 46 -10.441 -11.971 -3.790 1.00 0.00 H new ATOM 694 N GLY A 47 -8.339 -12.780 -0.900 1.00 0.00 N ATOM 695 CA GLY A 47 -6.977 -12.318 -1.110 1.00 0.00 C ATOM 696 C GLY A 47 -6.768 -10.931 -0.498 1.00 0.00 C ATOM 697 O GLY A 47 -6.893 -9.920 -1.186 1.00 0.00 O ATOM 0 H GLY A 47 -8.482 -13.310 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.277 -13.025 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.761 -12.285 -2.178 1.00 0.00 H new ATOM 701 N ALA A 48 -6.453 -10.929 0.789 1.00 0.00 N ATOM 702 CA ALA A 48 -6.225 -9.684 1.502 1.00 0.00 C ATOM 703 C ALA A 48 -5.196 -8.846 0.739 1.00 0.00 C ATOM 704 O ALA A 48 -5.322 -7.625 0.658 1.00 0.00 O ATOM 705 CB ALA A 48 -5.782 -9.988 2.934 1.00 0.00 C ATOM 0 H ALA A 48 -6.350 -11.770 1.357 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.145 -9.103 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.611 -9.053 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.559 -10.559 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.860 -10.568 2.914 1.00 0.00 H new ATOM 711 N MET A 49 -4.202 -9.536 0.199 1.00 0.00 N ATOM 712 CA MET A 49 -3.152 -8.871 -0.554 1.00 0.00 C ATOM 713 C MET A 49 -3.518 -8.774 -2.036 1.00 0.00 C ATOM 714 O MET A 49 -2.676 -8.436 -2.866 1.00 0.00 O ATOM 715 CB MET A 49 -1.843 -9.648 -0.400 1.00 0.00 C ATOM 716 CG MET A 49 -0.890 -8.933 0.560 1.00 0.00 C ATOM 717 SD MET A 49 0.580 -8.417 -0.310 1.00 0.00 S ATOM 718 CE MET A 49 0.912 -6.877 0.529 1.00 0.00 C ATOM 0 H MET A 49 -4.102 -10.549 0.268 1.00 0.00 H new ATOM 0 HA MET A 49 -3.033 -7.861 -0.162 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.053 -10.651 -0.029 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.367 -9.761 -1.374 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.385 -8.067 0.999 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.622 -9.598 1.381 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.979 -6.660 0.482 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.356 -6.073 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.603 -6.957 1.571 1.00 0.00 H new ATOM 728 N LEU A 50 -4.775 -9.076 -2.323 1.00 0.00 N ATOM 729 CA LEU A 50 -5.263 -9.027 -3.691 1.00 0.00 C ATOM 730 C LEU A 50 -4.611 -10.150 -4.501 1.00 0.00 C ATOM 731 O LEU A 50 -5.299 -11.038 -5.002 1.00 0.00 O ATOM 732 CB LEU A 50 -5.048 -7.635 -4.287 1.00 0.00 C ATOM 733 CG LEU A 50 -5.826 -6.495 -3.626 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.287 -6.492 -4.082 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.701 -6.557 -2.103 1.00 0.00 C ATOM 0 H LEU A 50 -5.471 -9.356 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.339 -9.197 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.985 -7.400 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.317 -7.668 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.387 -5.550 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.818 -5.672 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.330 -6.364 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.755 -7.438 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.263 -5.736 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.099 -7.506 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.652 -6.473 -1.820 1.00 0.00 H new ATOM 747 N GLY A 51 -3.293 -10.074 -4.603 1.00 0.00 N ATOM 748 CA GLY A 51 -2.540 -11.072 -5.344 1.00 0.00 C ATOM 749 C GLY A 51 -1.091 -10.626 -5.549 1.00 0.00 C ATOM 750 O GLY A 51 -0.187 -11.456 -5.620 1.00 0.00 O ATOM 0 H GLY A 51 -2.726 -9.336 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.560 -12.020 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.012 -11.244 -6.312 1.00 0.00 H new ATOM 754 N LEU A 52 -0.916 -9.316 -5.638 1.00 0.00 N ATOM 755 CA LEU A 52 0.407 -8.750 -5.834 1.00 0.00 C ATOM 756 C LEU A 52 0.977 -8.317 -4.482 1.00 0.00 C ATOM 757 O LEU A 52 0.230 -7.934 -3.583 1.00 0.00 O ATOM 758 CB LEU A 52 0.361 -7.625 -6.871 1.00 0.00 C ATOM 759 CG LEU A 52 0.401 -6.199 -6.316 1.00 0.00 C ATOM 760 CD1 LEU A 52 -0.775 -5.946 -5.371 1.00 0.00 C ATOM 761 CD2 LEU A 52 1.746 -5.909 -5.647 1.00 0.00 C ATOM 0 H LEU A 52 -1.669 -8.630 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 52 1.085 -9.500 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.202 -7.752 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.548 -7.739 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 52 0.300 -5.505 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.723 -4.926 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.712 -6.085 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.729 -6.647 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.748 -4.890 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.902 -6.608 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.547 -6.022 -6.377 1.00 0.00 H new ATOM 773 N LYS A 53 2.296 -8.392 -4.380 1.00 0.00 N ATOM 774 CA LYS A 53 2.975 -8.013 -3.153 1.00 0.00 C ATOM 775 C LYS A 53 3.546 -6.601 -3.306 1.00 0.00 C ATOM 776 O LYS A 53 4.121 -6.270 -4.342 1.00 0.00 O ATOM 777 CB LYS A 53 4.022 -9.062 -2.773 1.00 0.00 C ATOM 778 CG LYS A 53 4.092 -9.242 -1.256 1.00 0.00 C ATOM 779 CD LYS A 53 5.462 -8.823 -0.717 1.00 0.00 C ATOM 780 CE LYS A 53 5.319 -8.005 0.568 1.00 0.00 C ATOM 781 NZ LYS A 53 4.832 -8.858 1.675 1.00 0.00 N ATOM 0 H LYS A 53 2.913 -8.710 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 53 2.271 -7.984 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.777 -10.013 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.998 -8.761 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.312 -8.648 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.900 -10.284 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.067 -9.709 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.989 -8.236 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.280 -7.566 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.626 -7.180 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.773 -8.295 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.890 -9.229 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.490 -9.650 1.818 1.00 0.00 H new ATOM 795 N VAL A 54 3.368 -5.809 -2.259 1.00 0.00 N ATOM 796 CA VAL A 54 3.859 -4.441 -2.265 1.00 0.00 C ATOM 797 C VAL A 54 4.839 -4.251 -1.106 1.00 0.00 C ATOM 798 O VAL A 54 4.556 -4.648 0.023 1.00 0.00 O ATOM 799 CB VAL A 54 2.683 -3.463 -2.219 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.168 -2.033 -1.973 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.850 -3.547 -3.500 1.00 0.00 C ATOM 0 H VAL A 54 2.891 -6.088 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 54 4.401 -4.234 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 54 2.043 -3.748 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.312 -1.358 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.698 -1.987 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.840 -1.733 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.021 -2.842 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.476 -3.301 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.459 -4.558 -3.614 1.00 0.00 H new ATOM 811 N VAL A 55 5.973 -3.643 -1.425 1.00 0.00 N ATOM 812 CA VAL A 55 6.997 -3.396 -0.424 1.00 0.00 C ATOM 813 C VAL A 55 7.221 -1.888 -0.293 1.00 0.00 C ATOM 814 O VAL A 55 7.717 -1.247 -1.218 1.00 0.00 O ATOM 815 CB VAL A 55 8.273 -4.161 -0.781 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.503 -3.493 -0.164 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.171 -5.626 -0.352 1.00 0.00 C ATOM 0 H VAL A 55 6.205 -3.314 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 55 6.676 -3.764 0.551 1.00 0.00 H new ATOM 0 HB VAL A 55 8.387 -4.136 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.396 -4.056 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.590 -2.473 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.400 -3.472 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.091 -6.148 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.021 -5.680 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.328 -6.096 -0.859 1.00 0.00 H new ATOM 827 N GLY A 56 6.845 -1.365 0.865 1.00 0.00 N ATOM 828 CA GLY A 56 6.998 0.056 1.130 1.00 0.00 C ATOM 829 C GLY A 56 8.219 0.320 2.014 1.00 0.00 C ATOM 830 O GLY A 56 8.986 -0.596 2.309 1.00 0.00 O ATOM 0 H GLY A 56 6.435 -1.900 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.102 0.596 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.101 0.437 1.619 1.00 0.00 H new ATOM 834 N GLY A 57 8.361 1.575 2.412 1.00 0.00 N ATOM 835 CA GLY A 57 9.475 1.971 3.257 1.00 0.00 C ATOM 836 C GLY A 57 10.812 1.662 2.581 1.00 0.00 C ATOM 837 O GLY A 57 11.856 1.666 3.231 1.00 0.00 O ATOM 0 H GLY A 57 7.723 2.332 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.411 3.037 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.416 1.448 4.211 1.00 0.00 H new ATOM 841 N LYS A 58 10.737 1.401 1.284 1.00 0.00 N ATOM 842 CA LYS A 58 11.929 1.091 0.513 1.00 0.00 C ATOM 843 C LYS A 58 12.775 2.356 0.358 1.00 0.00 C ATOM 844 O LYS A 58 12.271 3.397 -0.062 1.00 0.00 O ATOM 845 CB LYS A 58 11.550 0.438 -0.818 1.00 0.00 C ATOM 846 CG LYS A 58 12.728 -0.350 -1.396 1.00 0.00 C ATOM 847 CD LYS A 58 12.982 0.036 -2.855 1.00 0.00 C ATOM 848 CE LYS A 58 12.711 -1.145 -3.790 1.00 0.00 C ATOM 849 NZ LYS A 58 13.761 -1.235 -4.828 1.00 0.00 N ATOM 0 H LYS A 58 9.869 1.398 0.748 1.00 0.00 H new ATOM 0 HA LYS A 58 12.543 0.359 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.699 -0.227 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.237 1.204 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.623 -0.159 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.523 -1.419 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.343 0.876 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.013 0.368 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.678 -2.071 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.735 -1.027 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.562 -2.041 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.773 -0.358 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.687 -1.369 -4.374 1.00 0.00 H new ATOM 863 N MET A 59 14.046 2.225 0.706 1.00 0.00 N ATOM 864 CA MET A 59 14.967 3.345 0.611 1.00 0.00 C ATOM 865 C MET A 59 15.471 3.521 -0.823 1.00 0.00 C ATOM 866 O MET A 59 16.138 2.640 -1.362 1.00 0.00 O ATOM 867 CB MET A 59 16.156 3.109 1.545 1.00 0.00 C ATOM 868 CG MET A 59 16.171 4.132 2.683 1.00 0.00 C ATOM 869 SD MET A 59 16.608 5.743 2.051 1.00 0.00 S ATOM 870 CE MET A 59 15.377 6.742 2.872 1.00 0.00 C ATOM 0 H MET A 59 14.460 1.360 1.054 1.00 0.00 H new ATOM 0 HA MET A 59 14.438 4.252 0.904 1.00 0.00 H new ATOM 0 HB2 MET A 59 16.104 2.101 1.958 1.00 0.00 H new ATOM 0 HB3 MET A 59 17.086 3.175 0.980 1.00 0.00 H new ATOM 0 HG2 MET A 59 15.191 4.173 3.159 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.885 3.827 3.448 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.847 7.637 3.279 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.607 7.030 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.925 6.169 3.682 1.00 0.00 H new ATOM 880 N THR A 60 15.131 4.665 -1.399 1.00 0.00 N ATOM 881 CA THR A 60 15.541 4.968 -2.760 1.00 0.00 C ATOM 882 C THR A 60 16.959 5.540 -2.775 1.00 0.00 C ATOM 883 O THR A 60 17.672 5.469 -1.775 1.00 0.00 O ATOM 884 CB THR A 60 14.499 5.909 -3.368 1.00 0.00 C ATOM 885 OG1 THR A 60 14.367 6.950 -2.405 1.00 0.00 O ATOM 886 CG2 THR A 60 13.106 5.279 -3.431 1.00 0.00 C ATOM 0 H THR A 60 14.577 5.393 -0.948 1.00 0.00 H new ATOM 0 HA THR A 60 15.582 4.066 -3.371 1.00 0.00 H new ATOM 0 HB THR A 60 14.812 6.197 -4.372 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.595 6.768 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.405 5.989 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.142 4.378 -4.043 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.778 5.021 -2.424 1.00 0.00 H new ATOM 894 N GLU A 61 17.327 6.094 -3.921 1.00 0.00 N ATOM 895 CA GLU A 61 18.648 6.678 -4.080 1.00 0.00 C ATOM 896 C GLU A 61 18.615 8.168 -3.735 1.00 0.00 C ATOM 897 O GLU A 61 19.650 8.832 -3.734 1.00 0.00 O ATOM 898 CB GLU A 61 19.179 6.455 -5.498 1.00 0.00 C ATOM 899 CG GLU A 61 18.097 6.744 -6.540 1.00 0.00 C ATOM 900 CD GLU A 61 18.719 7.176 -7.870 1.00 0.00 C ATOM 901 OE1 GLU A 61 19.900 7.583 -7.839 1.00 0.00 O ATOM 902 OE2 GLU A 61 17.998 7.090 -8.888 1.00 0.00 O ATOM 0 H GLU A 61 16.733 6.151 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 61 19.329 6.180 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.040 7.100 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.525 5.427 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.486 5.854 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.433 7.527 -6.173 1.00 0.00 H new ATOM 909 N SER A 62 17.414 8.650 -3.449 1.00 0.00 N ATOM 910 CA SER A 62 17.232 10.049 -3.103 1.00 0.00 C ATOM 911 C SER A 62 17.061 10.196 -1.590 1.00 0.00 C ATOM 912 O SER A 62 16.870 11.302 -1.087 1.00 0.00 O ATOM 913 CB SER A 62 16.027 10.645 -3.833 1.00 0.00 C ATOM 914 OG SER A 62 16.420 11.549 -4.862 1.00 0.00 O ATOM 0 H SER A 62 16.558 8.096 -3.450 1.00 0.00 H new ATOM 0 HA SER A 62 18.120 10.597 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.431 9.841 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.390 11.165 -3.117 1.00 0.00 H new ATOM 0 HG SER A 62 15.623 11.907 -5.305 1.00 0.00 H new ATOM 920 N GLY A 63 17.136 9.064 -0.905 1.00 0.00 N ATOM 921 CA GLY A 63 16.993 9.052 0.540 1.00 0.00 C ATOM 922 C GLY A 63 15.518 9.113 0.945 1.00 0.00 C ATOM 923 O GLY A 63 15.200 9.278 2.122 1.00 0.00 O ATOM 0 H GLY A 63 17.294 8.148 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.449 8.149 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.527 9.900 0.969 1.00 0.00 H new ATOM 927 N ARG A 64 14.658 8.976 -0.053 1.00 0.00 N ATOM 928 CA ARG A 64 13.225 9.013 0.185 1.00 0.00 C ATOM 929 C ARG A 64 12.651 7.595 0.191 1.00 0.00 C ATOM 930 O ARG A 64 13.327 6.646 -0.203 1.00 0.00 O ATOM 931 CB ARG A 64 12.510 9.840 -0.886 1.00 0.00 C ATOM 932 CG ARG A 64 12.118 11.217 -0.345 1.00 0.00 C ATOM 933 CD ARG A 64 10.703 11.195 0.236 1.00 0.00 C ATOM 934 NE ARG A 64 9.879 12.246 -0.400 1.00 0.00 N ATOM 935 CZ ARG A 64 10.059 13.560 -0.210 1.00 0.00 C ATOM 936 NH1 ARG A 64 11.036 13.992 0.599 1.00 0.00 N ATOM 937 NH2 ARG A 64 9.263 14.443 -0.829 1.00 0.00 N ATOM 0 H ARG A 64 14.925 8.839 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 64 13.062 9.479 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.159 9.958 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.619 9.311 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.826 11.524 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.175 11.956 -1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.249 10.217 0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.741 11.353 1.314 1.00 0.00 H new ATOM 0 HE ARG A 64 9.126 11.952 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.642 13.321 1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.173 14.992 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.519 14.115 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.401 15.443 -0.684 1.00 0.00 H new ATOM 951 N LEU A 65 11.409 7.496 0.642 1.00 0.00 N ATOM 952 CA LEU A 65 10.736 6.209 0.705 1.00 0.00 C ATOM 953 C LEU A 65 9.669 6.142 -0.390 1.00 0.00 C ATOM 954 O LEU A 65 9.079 7.160 -0.749 1.00 0.00 O ATOM 955 CB LEU A 65 10.190 5.958 2.112 1.00 0.00 C ATOM 956 CG LEU A 65 11.214 6.006 3.247 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.523 6.150 4.604 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.140 4.788 3.202 1.00 0.00 C ATOM 0 H LEU A 65 10.851 8.286 0.967 1.00 0.00 H new ATOM 0 HA LEU A 65 11.441 5.401 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.415 6.697 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.709 4.980 2.124 1.00 0.00 H new ATOM 0 HG LEU A 65 11.837 6.890 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.274 6.182 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.941 7.071 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.861 5.300 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.858 4.847 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.549 3.878 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.673 4.771 2.251 1.00 0.00 H new ATOM 970 N CYS A 66 9.454 4.934 -0.890 1.00 0.00 N ATOM 971 CA CYS A 66 8.469 4.722 -1.936 1.00 0.00 C ATOM 972 C CYS A 66 8.123 3.232 -1.974 1.00 0.00 C ATOM 973 O CYS A 66 8.979 2.385 -1.723 1.00 0.00 O ATOM 974 CB CYS A 66 8.966 5.227 -3.292 1.00 0.00 C ATOM 975 SG CYS A 66 8.531 6.992 -3.500 1.00 0.00 S ATOM 0 H CYS A 66 9.945 4.092 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 66 7.570 5.298 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.046 5.099 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.522 4.637 -4.094 1.00 0.00 H new ATOM 0 HG CYS A 66 8.778 7.633 -2.396 1.00 0.00 H new ATOM 981 N ALA A 67 6.865 2.957 -2.290 1.00 0.00 N ATOM 982 CA ALA A 67 6.395 1.585 -2.364 1.00 0.00 C ATOM 983 C ALA A 67 6.428 1.117 -3.821 1.00 0.00 C ATOM 984 O ALA A 67 5.954 1.818 -4.713 1.00 0.00 O ATOM 985 CB ALA A 67 4.996 1.490 -1.753 1.00 0.00 C ATOM 0 H ALA A 67 6.158 3.662 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 67 7.046 0.925 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.644 0.460 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.032 1.805 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.314 2.137 -2.304 1.00 0.00 H new ATOM 991 N PHE A 68 6.992 -0.066 -4.016 1.00 0.00 N ATOM 992 CA PHE A 68 7.093 -0.636 -5.349 1.00 0.00 C ATOM 993 C PHE A 68 6.631 -2.095 -5.358 1.00 0.00 C ATOM 994 O PHE A 68 6.782 -2.804 -4.364 1.00 0.00 O ATOM 995 CB PHE A 68 8.569 -0.579 -5.749 1.00 0.00 C ATOM 996 CG PHE A 68 9.217 0.792 -5.543 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.169 1.722 -6.534 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.840 1.080 -4.369 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.771 2.995 -6.342 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.441 2.352 -4.177 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.394 3.282 -5.168 1.00 0.00 C ATOM 0 H PHE A 68 7.384 -0.645 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 68 6.462 -0.078 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.120 -1.321 -5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.662 -0.859 -6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.674 1.493 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.878 0.341 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.734 3.734 -7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.935 2.581 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.852 4.249 -5.022 1.00 0.00 H new ATOM 1011 N ILE A 69 6.077 -2.499 -6.492 1.00 0.00 N ATOM 1012 CA ILE A 69 5.592 -3.861 -6.643 1.00 0.00 C ATOM 1013 C ILE A 69 6.784 -4.815 -6.734 1.00 0.00 C ATOM 1014 O ILE A 69 7.659 -4.643 -7.582 1.00 0.00 O ATOM 1015 CB ILE A 69 4.634 -3.958 -7.832 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.468 -2.980 -7.678 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.152 -5.397 -8.031 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.572 -2.994 -8.919 1.00 0.00 C ATOM 0 H ILE A 69 5.953 -1.908 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 69 5.012 -4.159 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 69 5.177 -3.672 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.881 -3.244 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.852 -1.973 -7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.472 -5.439 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.008 -6.045 -8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.632 -5.734 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.751 -2.290 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.156 -2.706 -9.793 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.170 -3.996 -9.066 1.00 0.00 H new ATOM 1030 N THR A 70 6.781 -5.802 -5.850 1.00 0.00 N ATOM 1031 CA THR A 70 7.851 -6.784 -5.820 1.00 0.00 C ATOM 1032 C THR A 70 7.501 -7.982 -6.705 1.00 0.00 C ATOM 1033 O THR A 70 8.339 -8.461 -7.467 1.00 0.00 O ATOM 1034 CB THR A 70 8.105 -7.161 -4.359 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.852 -7.667 -3.908 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.355 -5.939 -3.473 1.00 0.00 C ATOM 0 H THR A 70 6.054 -5.943 -5.149 1.00 0.00 H new ATOM 0 HA THR A 70 8.774 -6.376 -6.231 1.00 0.00 H new ATOM 0 HB THR A 70 8.962 -7.832 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.455 -7.037 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.529 -6.263 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.229 -5.399 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.485 -5.283 -3.503 1.00 0.00 H new ATOM 1044 N LYS A 71 6.261 -8.430 -6.575 1.00 0.00 N ATOM 1045 CA LYS A 71 5.789 -9.563 -7.353 1.00 0.00 C ATOM 1046 C LYS A 71 4.275 -9.449 -7.546 1.00 0.00 C ATOM 1047 O LYS A 71 3.585 -8.848 -6.724 1.00 0.00 O ATOM 1048 CB LYS A 71 6.230 -10.878 -6.707 1.00 0.00 C ATOM 1049 CG LYS A 71 6.054 -12.050 -7.675 1.00 0.00 C ATOM 1050 CD LYS A 71 7.111 -13.128 -7.428 1.00 0.00 C ATOM 1051 CE LYS A 71 8.215 -13.065 -8.485 1.00 0.00 C ATOM 1052 NZ LYS A 71 8.540 -14.423 -8.976 1.00 0.00 N ATOM 0 H LYS A 71 5.569 -8.029 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 71 6.238 -9.557 -8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.274 -10.806 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.647 -11.057 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.058 -12.478 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.127 -11.692 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.544 -12.997 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.643 -14.112 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.895 -12.438 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.106 -12.602 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.291 -14.362 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.866 -15.011 -8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.692 -14.852 -9.399 1.00 0.00 H new ATOM 1066 N VAL A 72 3.804 -10.036 -8.636 1.00 0.00 N ATOM 1067 CA VAL A 72 2.385 -10.008 -8.947 1.00 0.00 C ATOM 1068 C VAL A 72 1.917 -11.421 -9.300 1.00 0.00 C ATOM 1069 O VAL A 72 2.392 -12.012 -10.268 1.00 0.00 O ATOM 1070 CB VAL A 72 2.113 -8.992 -10.059 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.610 -8.765 -10.237 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.839 -7.673 -9.787 1.00 0.00 C ATOM 0 H VAL A 72 4.380 -10.534 -9.315 1.00 0.00 H new ATOM 0 HA VAL A 72 1.810 -9.682 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 72 2.503 -9.402 -10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.443 -8.039 -11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.128 -9.707 -10.498 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.186 -8.387 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.629 -6.969 -10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.494 -7.256 -8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.913 -7.853 -9.734 1.00 0.00 H new ATOM 1082 N LYS A 73 0.990 -11.921 -8.496 1.00 0.00 N ATOM 1083 CA LYS A 73 0.452 -13.253 -8.711 1.00 0.00 C ATOM 1084 C LYS A 73 -0.140 -13.338 -10.119 1.00 0.00 C ATOM 1085 O LYS A 73 -0.707 -12.367 -10.617 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.539 -13.617 -7.604 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.013 -15.064 -7.745 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.114 -16.016 -6.954 1.00 0.00 C ATOM 1089 CE LYS A 73 0.242 -17.251 -7.785 1.00 0.00 C ATOM 1090 NZ LYS A 73 1.533 -17.821 -7.339 1.00 0.00 N ATOM 0 H LYS A 73 0.598 -11.427 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 73 1.246 -13.998 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.069 -13.478 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.396 -12.945 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.040 -15.150 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.014 -15.349 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.798 -15.498 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.619 -16.323 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.545 -17.999 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.301 -16.982 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.760 -18.658 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.284 -17.110 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.464 -18.096 -6.338 1.00 0.00 H new ATOM 1104 N LYS A 74 0.010 -14.509 -10.720 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.503 -14.733 -12.061 1.00 0.00 C ATOM 1106 C LYS A 74 -1.902 -15.346 -11.971 1.00 0.00 C ATOM 1107 O LYS A 74 -2.047 -16.531 -11.674 1.00 0.00 O ATOM 1108 CB LYS A 74 0.483 -15.569 -12.879 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.183 -16.125 -14.140 1.00 0.00 C ATOM 1110 CD LYS A 74 0.640 -15.795 -15.386 1.00 0.00 C ATOM 1111 CE LYS A 74 0.907 -17.053 -16.216 1.00 0.00 C ATOM 1112 NZ LYS A 74 1.684 -16.718 -17.430 1.00 0.00 N ATOM 0 H LYS A 74 0.479 -15.313 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.602 -13.787 -12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.341 -14.957 -13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.861 -16.391 -12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.295 -17.205 -14.050 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.185 -15.708 -14.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.110 -15.061 -15.992 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.586 -15.342 -15.091 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.453 -17.782 -15.617 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.038 -17.517 -16.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.856 -17.583 -17.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.149 -16.039 -18.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.594 -16.296 -17.154 1.00 0.00 H new ATOM 1126 N GLY A 75 -2.897 -14.511 -12.233 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.279 -14.955 -12.185 1.00 0.00 C ATOM 1128 C GLY A 75 -4.955 -14.507 -10.888 1.00 0.00 C ATOM 1129 O GLY A 75 -5.675 -15.281 -10.259 1.00 0.00 O ATOM 0 H GLY A 75 -2.773 -13.529 -12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.823 -14.554 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.318 -16.041 -12.263 1.00 0.00 H new ATOM 1133 N SER A 76 -4.698 -13.259 -10.525 1.00 0.00 N ATOM 1134 CA SER A 76 -5.272 -12.699 -9.313 1.00 0.00 C ATOM 1135 C SER A 76 -5.782 -11.282 -9.583 1.00 0.00 C ATOM 1136 O SER A 76 -5.532 -10.721 -10.648 1.00 0.00 O ATOM 1137 CB SER A 76 -4.251 -12.688 -8.174 1.00 0.00 C ATOM 1138 OG SER A 76 -4.829 -13.094 -6.936 1.00 0.00 O ATOM 0 H SER A 76 -4.100 -12.620 -11.049 1.00 0.00 H new ATOM 0 HA SER A 76 -6.109 -13.328 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.423 -13.352 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.836 -11.686 -8.069 1.00 0.00 H new ATOM 0 HG SER A 76 -4.942 -12.312 -6.356 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.487 -10.743 -8.598 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.033 -9.402 -8.715 1.00 0.00 C ATOM 1146 C LEU A 77 -5.993 -8.487 -9.364 1.00 0.00 C ATOM 1147 O LEU A 77 -6.159 -8.065 -10.507 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.528 -8.905 -7.356 1.00 0.00 C ATOM 1149 CG LEU A 77 -8.916 -9.387 -6.930 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.975 -8.991 -7.960 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -8.914 -10.894 -6.661 1.00 0.00 C ATOM 0 H LEU A 77 -6.692 -11.211 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.907 -9.402 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.810 -9.212 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.532 -7.815 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.177 -8.892 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.952 -9.346 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.998 -7.906 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.731 -9.439 -8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.912 -11.211 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.623 -11.425 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.206 -11.120 -5.864 1.00 0.00 H new ATOM 1163 N ALA A 78 -4.943 -8.208 -8.606 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.876 -7.350 -9.092 1.00 0.00 C ATOM 1165 C ALA A 78 -3.056 -8.107 -10.140 1.00 0.00 C ATOM 1166 O ALA A 78 -1.900 -8.450 -9.899 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.022 -6.878 -7.913 1.00 0.00 C ATOM 0 H ALA A 78 -4.808 -8.561 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.287 -6.462 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.222 -6.234 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.645 -6.321 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.591 -7.742 -7.407 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.688 -8.345 -11.280 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.032 -9.055 -12.365 1.00 0.00 C ATOM 1175 C ASP A 79 -4.027 -9.260 -13.509 1.00 0.00 C ATOM 1176 O ASP A 79 -3.713 -8.985 -14.666 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.546 -10.431 -11.908 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.385 -11.010 -12.719 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.271 -10.458 -12.589 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -1.638 -11.990 -13.452 1.00 0.00 O ATOM 0 H ASP A 79 -4.647 -8.059 -11.476 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.178 -8.461 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.242 -10.363 -10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.383 -11.128 -11.952 1.00 0.00 H new ATOM 1185 N THR A 80 -5.206 -9.742 -13.145 1.00 0.00 N ATOM 1186 CA THR A 80 -6.249 -9.988 -14.127 1.00 0.00 C ATOM 1187 C THR A 80 -7.083 -8.724 -14.347 1.00 0.00 C ATOM 1188 O THR A 80 -7.481 -8.427 -15.473 1.00 0.00 O ATOM 1189 CB THR A 80 -7.074 -11.185 -13.651 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.751 -10.701 -12.494 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.202 -12.325 -13.122 1.00 0.00 C ATOM 0 H THR A 80 -5.462 -9.969 -12.184 1.00 0.00 H new ATOM 0 HA THR A 80 -5.825 -10.234 -15.101 1.00 0.00 H new ATOM 0 HB THR A 80 -7.690 -11.551 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.152 -10.751 -11.720 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.838 -13.149 -12.797 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.536 -12.670 -13.912 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.610 -11.969 -12.279 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.321 -8.013 -13.255 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.100 -6.788 -13.315 1.00 0.00 C ATOM 1201 C VAL A 81 -7.162 -5.586 -13.194 1.00 0.00 C ATOM 1202 O VAL A 81 -7.349 -4.577 -13.873 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.189 -6.807 -12.239 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.316 -7.771 -12.617 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.601 -7.159 -10.871 1.00 0.00 C ATOM 0 H VAL A 81 -6.988 -8.262 -12.323 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.611 -6.707 -14.275 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.614 -5.805 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.077 -7.766 -11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.762 -7.457 -13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.913 -8.778 -12.724 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.395 -7.166 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.138 -8.145 -10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.851 -6.418 -10.596 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.172 -5.733 -12.326 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.204 -4.671 -12.108 1.00 0.00 C ATOM 1217 C GLY A 82 -4.122 -4.686 -13.189 1.00 0.00 C ATOM 1218 O GLY A 82 -3.720 -3.634 -13.685 1.00 0.00 O ATOM 0 H GLY A 82 -6.019 -6.571 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.711 -3.706 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.744 -4.789 -11.127 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.681 -5.890 -13.524 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.653 -6.055 -14.538 1.00 0.00 C ATOM 1224 C HIS A 83 -1.321 -5.516 -14.011 1.00 0.00 C ATOM 1225 O HIS A 83 -0.376 -5.332 -14.776 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.078 -5.400 -15.854 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.338 -5.982 -16.450 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.387 -7.246 -17.012 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.593 -5.460 -16.566 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.621 -7.464 -17.443 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.366 -6.355 -17.166 1.00 0.00 N ATOM 0 H HIS A 83 -4.017 -6.760 -13.111 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.517 -7.115 -14.754 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.227 -4.333 -15.686 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.267 -5.499 -16.576 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.904 -4.483 -16.227 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.975 -8.362 -17.928 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.355 -6.234 -17.385 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.290 -5.279 -12.708 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.089 -4.765 -12.070 1.00 0.00 C ATOM 1241 C LEU A 84 1.083 -5.702 -12.369 1.00 0.00 C ATOM 1242 O LEU A 84 0.881 -6.835 -12.804 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.331 -4.541 -10.576 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.424 -3.531 -10.217 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.897 -3.724 -8.775 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.954 -2.099 -10.480 1.00 0.00 C ATOM 0 H LEU A 84 -2.076 -5.433 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 84 0.171 -3.788 -12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.586 -5.499 -10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.604 -4.212 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.283 -3.712 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.673 -2.994 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.299 -4.730 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.057 -3.585 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.749 -1.401 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.072 -1.889 -9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.706 -1.985 -11.535 1.00 0.00 H new ATOM 1258 N ARG A 85 2.282 -5.194 -12.124 1.00 0.00 N ATOM 1259 CA ARG A 85 3.486 -5.972 -12.361 1.00 0.00 C ATOM 1260 C ARG A 85 4.614 -5.496 -11.444 1.00 0.00 C ATOM 1261 O ARG A 85 4.548 -4.400 -10.889 1.00 0.00 O ATOM 1262 CB ARG A 85 3.939 -5.854 -13.818 1.00 0.00 C ATOM 1263 CG ARG A 85 3.240 -6.894 -14.696 1.00 0.00 C ATOM 1264 CD ARG A 85 2.498 -6.224 -15.854 1.00 0.00 C ATOM 1265 NE ARG A 85 3.228 -6.452 -17.122 1.00 0.00 N ATOM 1266 CZ ARG A 85 2.910 -5.871 -18.287 1.00 0.00 C ATOM 1267 NH1 ARG A 85 1.874 -5.024 -18.352 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.628 -6.137 -19.386 1.00 0.00 N ATOM 0 H ARG A 85 2.445 -4.254 -11.764 1.00 0.00 H new ATOM 0 HA ARG A 85 3.255 -7.015 -12.147 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.721 -4.853 -14.190 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.019 -5.988 -13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.975 -7.597 -15.088 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.537 -7.470 -14.094 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.487 -6.625 -15.930 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.404 -5.154 -15.666 1.00 0.00 H new ATOM 0 HE ARG A 85 4.023 -7.091 -17.108 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.328 -4.821 -17.515 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.632 -4.582 -19.239 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.417 -6.782 -19.336 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.386 -5.695 -20.273 1.00 0.00 H new ATOM 1282 N PRO A 86 5.650 -6.367 -11.308 1.00 0.00 N ATOM 1283 CA PRO A 86 6.791 -6.047 -10.467 1.00 0.00 C ATOM 1284 C PRO A 86 7.700 -5.018 -11.143 1.00 0.00 C ATOM 1285 O PRO A 86 8.284 -5.293 -12.190 1.00 0.00 O ATOM 1286 CB PRO A 86 7.483 -7.378 -10.220 1.00 0.00 C ATOM 1287 CG PRO A 86 6.978 -8.318 -11.303 1.00 0.00 C ATOM 1288 CD PRO A 86 5.763 -7.674 -11.949 1.00 0.00 C ATOM 0 HA PRO A 86 6.501 -5.582 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.566 -7.270 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.247 -7.763 -9.228 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.755 -8.497 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.715 -9.286 -10.876 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.893 -7.576 -13.027 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.866 -8.272 -11.789 1.00 0.00 H new ATOM 1296 N GLY A 87 7.790 -3.854 -10.517 1.00 0.00 N ATOM 1297 CA GLY A 87 8.617 -2.782 -11.045 1.00 0.00 C ATOM 1298 C GLY A 87 7.870 -1.447 -11.012 1.00 0.00 C ATOM 1299 O GLY A 87 8.453 -0.399 -11.289 1.00 0.00 O ATOM 0 H GLY A 87 7.304 -3.629 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.534 -2.704 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.910 -3.014 -12.069 1.00 0.00 H new ATOM 1303 N ASP A 88 6.593 -1.528 -10.672 1.00 0.00 N ATOM 1304 CA ASP A 88 5.761 -0.339 -10.599 1.00 0.00 C ATOM 1305 C ASP A 88 5.880 0.278 -9.204 1.00 0.00 C ATOM 1306 O ASP A 88 6.354 -0.372 -8.273 1.00 0.00 O ATOM 1307 CB ASP A 88 4.289 -0.680 -10.840 1.00 0.00 C ATOM 1308 CG ASP A 88 3.751 -0.286 -12.217 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.221 0.750 -12.735 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.882 -1.030 -12.721 1.00 0.00 O ATOM 0 H ASP A 88 6.113 -2.399 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 88 6.101 0.356 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.154 -1.753 -10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.688 -0.186 -10.077 1.00 0.00 H new ATOM 1315 N GLU A 89 5.443 1.525 -9.104 1.00 0.00 N ATOM 1316 CA GLU A 89 5.496 2.236 -7.838 1.00 0.00 C ATOM 1317 C GLU A 89 4.092 2.682 -7.421 1.00 0.00 C ATOM 1318 O GLU A 89 3.483 3.523 -8.081 1.00 0.00 O ATOM 1319 CB GLU A 89 6.449 3.430 -7.919 1.00 0.00 C ATOM 1320 CG GLU A 89 6.458 4.215 -6.606 1.00 0.00 C ATOM 1321 CD GLU A 89 7.339 5.461 -6.717 1.00 0.00 C ATOM 1322 OE1 GLU A 89 8.329 5.390 -7.477 1.00 0.00 O ATOM 1323 OE2 GLU A 89 7.002 6.456 -6.040 1.00 0.00 O ATOM 0 H GLU A 89 5.051 2.061 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 89 5.882 1.557 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.457 3.081 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.148 4.085 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.441 4.507 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.823 3.578 -5.800 1.00 0.00 H new ATOM 1330 N VAL A 90 3.621 2.099 -6.329 1.00 0.00 N ATOM 1331 CA VAL A 90 2.301 2.425 -5.817 1.00 0.00 C ATOM 1332 C VAL A 90 2.352 3.786 -5.120 1.00 0.00 C ATOM 1333 O VAL A 90 2.803 3.887 -3.980 1.00 0.00 O ATOM 1334 CB VAL A 90 1.802 1.304 -4.903 1.00 0.00 C ATOM 1335 CG1 VAL A 90 0.332 1.512 -4.532 1.00 0.00 C ATOM 1336 CG2 VAL A 90 2.015 -0.066 -5.551 1.00 0.00 C ATOM 0 H VAL A 90 4.130 1.403 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 90 1.583 2.504 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 90 2.387 1.335 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.003 0.701 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.219 2.463 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.274 1.520 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.652 -0.846 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.467 -0.112 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.078 -0.217 -5.742 1.00 0.00 H new ATOM 1346 N LEU A 91 1.882 4.799 -5.834 1.00 0.00 N ATOM 1347 CA LEU A 91 1.868 6.149 -5.298 1.00 0.00 C ATOM 1348 C LEU A 91 0.883 6.220 -4.129 1.00 0.00 C ATOM 1349 O LEU A 91 1.267 6.554 -3.009 1.00 0.00 O ATOM 1350 CB LEU A 91 1.580 7.163 -6.407 1.00 0.00 C ATOM 1351 CG LEU A 91 2.751 7.494 -7.335 1.00 0.00 C ATOM 1352 CD1 LEU A 91 3.661 8.554 -6.712 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.522 6.229 -7.716 1.00 0.00 C ATOM 0 H LEU A 91 1.508 4.711 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 91 2.850 6.412 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.758 6.784 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.236 8.088 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 91 2.349 7.916 -8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.485 8.771 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.089 9.464 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.058 8.183 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.349 6.492 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.913 5.756 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.854 5.537 -8.229 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.366 5.899 -4.430 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.409 5.921 -3.418 1.00 0.00 C ATOM 1367 C GLU A 92 -2.101 4.559 -3.339 1.00 0.00 C ATOM 1368 O GLU A 92 -1.930 3.719 -4.222 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.420 7.035 -3.698 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.773 8.413 -3.551 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.620 9.492 -4.229 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.569 9.967 -3.568 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -2.299 9.817 -5.392 1.00 0.00 O ATOM 0 H GLU A 92 -0.680 5.622 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.948 6.128 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.820 6.923 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.261 6.949 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.652 8.651 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.776 8.399 -3.990 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.869 4.382 -2.274 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.587 3.136 -2.068 1.00 0.00 C ATOM 1382 C TRP A 93 -4.923 3.466 -1.399 1.00 0.00 C ATOM 1383 O TRP A 93 -4.970 3.747 -0.202 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.745 2.144 -1.264 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.466 0.832 -0.944 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.461 0.630 -0.070 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.204 -0.459 -1.534 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.859 -0.691 -0.053 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -4.070 -1.374 -0.972 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.267 -0.840 -2.510 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -4.085 -2.730 -1.321 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.295 -2.198 -2.849 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -3.160 -3.133 -2.292 1.00 0.00 C ATOM 0 H TRP A 93 -3.010 5.081 -1.545 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.786 2.644 -3.020 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.835 1.920 -1.821 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.439 2.616 -0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.897 1.404 0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.596 -1.092 0.527 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.580 -0.140 -2.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.773 -3.427 -0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.595 -2.544 -3.596 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.119 -4.165 -2.607 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.977 3.420 -2.200 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.310 3.711 -1.701 1.00 0.00 C ATOM 1406 C ASN A 94 -7.364 5.161 -1.217 1.00 0.00 C ATOM 1407 O ASN A 94 -8.277 5.542 -0.486 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.666 2.805 -0.520 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.146 1.435 -1.005 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -7.805 0.975 -2.082 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.954 0.812 -0.152 1.00 0.00 N ATOM 0 H ASN A 94 -5.935 3.185 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.018 3.541 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.795 2.682 0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.444 3.275 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.328 -0.108 -0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.199 1.254 0.734 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.374 5.931 -1.644 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.297 7.331 -1.263 1.00 0.00 C ATOM 1420 C GLY A 95 -5.159 7.567 -0.268 1.00 0.00 C ATOM 1421 O GLY A 95 -4.896 8.704 0.121 1.00 0.00 O ATOM 0 H GLY A 95 -5.618 5.612 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.142 7.945 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.243 7.644 -0.820 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.515 6.474 0.115 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.411 6.548 1.057 1.00 0.00 C ATOM 1427 C ARG A 96 -2.082 6.665 0.309 1.00 0.00 C ATOM 1428 O ARG A 96 -1.657 5.725 -0.360 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.374 5.312 1.959 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.364 5.448 3.117 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.683 6.033 4.356 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.445 5.670 5.571 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.284 6.261 6.763 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -3.387 7.247 6.907 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.019 5.866 7.812 1.00 0.00 N ATOM 0 H ARG A 96 -4.737 5.533 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.562 7.432 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.613 4.424 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.367 5.174 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.194 6.088 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.785 4.472 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.662 5.658 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.618 7.117 4.268 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.136 4.923 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.827 7.547 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.265 7.697 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.701 5.115 7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.896 6.316 8.719 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.462 7.828 0.448 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.190 8.081 -0.207 1.00 0.00 C ATOM 1451 C LEU A 97 0.890 7.204 0.431 1.00 0.00 C ATOM 1452 O LEU A 97 1.025 7.170 1.653 1.00 0.00 O ATOM 1453 CB LEU A 97 0.138 9.575 -0.181 1.00 0.00 C ATOM 1454 CG LEU A 97 1.438 9.988 -0.875 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.150 10.771 -2.158 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.346 10.766 0.080 1.00 0.00 C ATOM 0 H LEU A 97 -1.817 8.605 1.005 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.243 7.808 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.686 10.116 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.186 9.898 0.859 1.00 0.00 H new ATOM 0 HG LEU A 97 1.974 9.084 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.091 11.052 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.571 10.149 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.582 11.670 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.263 11.048 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.831 11.664 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.592 10.141 0.939 1.00 0.00 H new ATOM 1468 N LEU A 98 1.630 6.516 -0.426 1.00 0.00 N ATOM 1469 CA LEU A 98 2.693 5.640 0.038 1.00 0.00 C ATOM 1470 C LEU A 98 4.032 6.372 -0.069 1.00 0.00 C ATOM 1471 O LEU A 98 5.002 5.997 0.589 1.00 0.00 O ATOM 1472 CB LEU A 98 2.658 4.309 -0.715 1.00 0.00 C ATOM 1473 CG LEU A 98 1.288 3.637 -0.825 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.409 2.244 -1.446 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.584 3.600 0.533 1.00 0.00 C ATOM 0 H LEU A 98 1.515 6.547 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 98 2.549 5.388 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.042 4.474 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.341 3.617 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 98 0.667 4.235 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.421 1.788 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.839 2.327 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.054 1.623 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.387 3.117 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.192 3.039 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.445 4.617 0.899 1.00 0.00 H new ATOM 1487 N GLN A 99 4.043 7.402 -0.902 1.00 0.00 N ATOM 1488 CA GLN A 99 5.248 8.189 -1.103 1.00 0.00 C ATOM 1489 C GLN A 99 5.779 8.700 0.238 1.00 0.00 C ATOM 1490 O GLN A 99 5.199 9.606 0.834 1.00 0.00 O ATOM 1491 CB GLN A 99 4.991 9.348 -2.068 1.00 0.00 C ATOM 1492 CG GLN A 99 5.447 8.994 -3.485 1.00 0.00 C ATOM 1493 CD GLN A 99 5.324 10.200 -4.418 1.00 0.00 C ATOM 1494 OE1 GLN A 99 4.370 10.958 -4.372 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.341 10.334 -5.265 1.00 0.00 N ATOM 0 H GLN A 99 3.237 7.710 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 99 6.007 7.547 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.929 9.592 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.520 10.237 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.481 8.651 -3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.846 8.170 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.109 9.663 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.353 11.108 -5.929 1.00 0.00 H new ATOM 1504 N GLY A 100 6.874 8.095 0.674 1.00 0.00 N ATOM 1505 CA GLY A 100 7.489 8.477 1.934 1.00 0.00 C ATOM 1506 C GLY A 100 7.058 7.537 3.061 1.00 0.00 C ATOM 1507 O GLY A 100 7.812 7.308 4.006 1.00 0.00 O ATOM 0 H GLY A 100 7.351 7.343 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.574 8.457 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.211 9.501 2.183 1.00 0.00 H new ATOM 1511 N ALA A 101 5.846 7.019 2.926 1.00 0.00 N ATOM 1512 CA ALA A 101 5.306 6.109 3.922 1.00 0.00 C ATOM 1513 C ALA A 101 6.340 5.023 4.229 1.00 0.00 C ATOM 1514 O ALA A 101 7.043 4.560 3.333 1.00 0.00 O ATOM 1515 CB ALA A 101 3.983 5.528 3.418 1.00 0.00 C ATOM 0 H ALA A 101 5.223 7.212 2.142 1.00 0.00 H new ATOM 0 HA ALA A 101 5.097 6.638 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.577 4.845 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.274 6.337 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.154 4.987 2.487 1.00 0.00 H new ATOM 1521 N THR A 102 6.399 4.650 5.499 1.00 0.00 N ATOM 1522 CA THR A 102 7.334 3.627 5.935 1.00 0.00 C ATOM 1523 C THR A 102 6.830 2.238 5.539 1.00 0.00 C ATOM 1524 O THR A 102 5.698 2.093 5.081 1.00 0.00 O ATOM 1525 CB THR A 102 7.544 3.791 7.442 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.370 3.226 8.019 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.509 5.255 7.883 1.00 0.00 C ATOM 0 H THR A 102 5.815 5.038 6.240 1.00 0.00 H new ATOM 0 HA THR A 102 8.300 3.739 5.443 1.00 0.00 H new ATOM 0 HB THR A 102 8.500 3.350 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.423 3.289 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.663 5.314 8.960 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.298 5.808 7.373 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.541 5.688 7.631 1.00 0.00 H new ATOM 1535 N PHE A 103 7.695 1.253 5.730 1.00 0.00 N ATOM 1536 CA PHE A 103 7.352 -0.119 5.398 1.00 0.00 C ATOM 1537 C PHE A 103 6.065 -0.548 6.105 1.00 0.00 C ATOM 1538 O PHE A 103 5.256 -1.282 5.539 1.00 0.00 O ATOM 1539 CB PHE A 103 8.505 -0.999 5.884 1.00 0.00 C ATOM 1540 CG PHE A 103 8.215 -2.500 5.813 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.464 -3.187 4.667 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.709 -3.146 6.897 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.196 -4.580 4.601 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.440 -4.539 6.832 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.689 -5.226 5.685 1.00 0.00 C ATOM 0 H PHE A 103 8.633 1.378 6.111 1.00 0.00 H new ATOM 0 HA PHE A 103 7.194 -0.214 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.391 -0.782 5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.742 -0.733 6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.866 -2.673 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.512 -2.600 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.395 -5.126 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.038 -5.052 7.693 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.484 -6.285 5.635 1.00 0.00 H new ATOM 1555 N GLU A 104 5.915 -0.073 7.333 1.00 0.00 N ATOM 1556 CA GLU A 104 4.740 -0.399 8.123 1.00 0.00 C ATOM 1557 C GLU A 104 3.531 0.398 7.630 1.00 0.00 C ATOM 1558 O GLU A 104 2.457 -0.164 7.419 1.00 0.00 O ATOM 1559 CB GLU A 104 4.994 -0.146 9.611 1.00 0.00 C ATOM 1560 CG GLU A 104 5.873 -1.244 10.212 1.00 0.00 C ATOM 1561 CD GLU A 104 6.655 -0.721 11.419 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.122 0.435 11.335 1.00 0.00 O ATOM 1563 OE2 GLU A 104 6.769 -1.490 12.398 1.00 0.00 O ATOM 0 H GLU A 104 6.588 0.535 7.800 1.00 0.00 H new ATOM 0 HA GLU A 104 4.525 -1.460 7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.476 0.823 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.044 -0.104 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.252 -2.087 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.567 -1.613 9.457 1.00 0.00 H new ATOM 1570 N GLU A 105 3.746 1.694 7.460 1.00 0.00 N ATOM 1571 CA GLU A 105 2.687 2.574 6.995 1.00 0.00 C ATOM 1572 C GLU A 105 1.995 1.971 5.771 1.00 0.00 C ATOM 1573 O GLU A 105 0.774 1.829 5.750 1.00 0.00 O ATOM 1574 CB GLU A 105 3.229 3.970 6.687 1.00 0.00 C ATOM 1575 CG GLU A 105 3.275 4.833 7.950 1.00 0.00 C ATOM 1576 CD GLU A 105 3.241 6.321 7.598 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.220 6.744 7.013 1.00 0.00 O ATOM 1578 OE2 GLU A 105 4.237 7.004 7.923 1.00 0.00 O ATOM 0 H GLU A 105 4.638 2.156 7.636 1.00 0.00 H new ATOM 0 HA GLU A 105 1.950 2.675 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.229 3.890 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.601 4.450 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.430 4.588 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.180 4.610 8.515 1.00 0.00 H new ATOM 1585 N VAL A 106 2.807 1.633 4.779 1.00 0.00 N ATOM 1586 CA VAL A 106 2.289 1.049 3.554 1.00 0.00 C ATOM 1587 C VAL A 106 1.467 -0.196 3.895 1.00 0.00 C ATOM 1588 O VAL A 106 0.326 -0.330 3.456 1.00 0.00 O ATOM 1589 CB VAL A 106 3.437 0.760 2.586 1.00 0.00 C ATOM 1590 CG1 VAL A 106 2.955 -0.072 1.395 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.099 2.057 2.116 1.00 0.00 C ATOM 0 H VAL A 106 3.820 1.753 4.799 1.00 0.00 H new ATOM 0 HA VAL A 106 1.624 1.749 3.049 1.00 0.00 H new ATOM 0 HB VAL A 106 4.186 0.176 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.791 -0.263 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.553 -1.020 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.177 0.474 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.912 1.822 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.362 2.678 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.496 2.596 2.977 1.00 0.00 H new ATOM 1601 N TYR A 107 2.079 -1.074 4.676 1.00 0.00 N ATOM 1602 CA TYR A 107 1.418 -2.303 5.081 1.00 0.00 C ATOM 1603 C TYR A 107 0.112 -2.005 5.820 1.00 0.00 C ATOM 1604 O TYR A 107 -0.924 -2.598 5.522 1.00 0.00 O ATOM 1605 CB TYR A 107 2.383 -3.006 6.038 1.00 0.00 C ATOM 1606 CG TYR A 107 2.065 -4.484 6.268 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.871 -4.850 6.854 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.973 -5.453 5.889 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.571 -6.242 7.071 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.674 -6.844 6.106 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.488 -7.170 6.686 1.00 0.00 C ATOM 1612 OH TYR A 107 1.205 -8.485 6.891 1.00 0.00 O ATOM 0 H TYR A 107 3.025 -0.959 5.039 1.00 0.00 H new ATOM 0 HA TYR A 107 1.175 -2.913 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.396 -2.920 5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.369 -2.488 6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.161 -4.092 7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.908 -5.167 5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.360 -6.542 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.376 -7.612 5.815 1.00 0.00 H new ATOM 0 HH TYR A 107 1.949 -9.034 6.566 1.00 0.00 H new ATOM 1622 N ASN A 108 0.204 -1.087 6.771 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.957 -0.703 7.556 1.00 0.00 C ATOM 1624 C ASN A 108 -2.130 -0.415 6.616 1.00 0.00 C ATOM 1625 O ASN A 108 -3.215 -0.969 6.784 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.680 0.563 8.367 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.119 0.218 9.748 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.226 -0.898 10.229 1.00 0.00 O ATOM 1629 ND2 ASN A 108 0.483 1.235 10.358 1.00 0.00 N ATOM 0 H ASN A 108 1.065 -0.598 7.016 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.190 -1.523 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.028 1.195 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.600 1.137 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.890 1.106 11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 108 0.538 2.144 9.899 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.871 0.451 5.647 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.892 0.820 4.681 1.00 0.00 C ATOM 1638 C ILE A 109 -3.607 -0.443 4.195 1.00 0.00 C ATOM 1639 O ILE A 109 -4.741 -0.708 4.589 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.284 1.655 3.552 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.755 2.990 4.082 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.286 1.848 2.412 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.462 3.390 3.368 1.00 0.00 C ATOM 0 H ILE A 109 -0.969 0.908 5.510 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.646 1.455 5.146 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.433 1.110 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.508 3.766 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.574 2.914 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.829 2.445 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.573 0.876 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.171 2.361 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.108 4.342 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.296 2.624 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.652 3.489 2.299 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.914 -1.187 3.345 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.469 -2.414 2.801 1.00 0.00 C ATOM 1657 C ILE A 110 -4.240 -3.151 3.898 1.00 0.00 C ATOM 1658 O ILE A 110 -5.209 -3.854 3.616 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.370 -3.257 2.150 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.768 -2.534 0.943 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.890 -4.648 1.784 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.245 -2.679 0.922 1.00 0.00 C ATOM 0 H ILE A 110 -1.973 -0.963 3.020 1.00 0.00 H new ATOM 0 HA ILE A 110 -4.180 -2.190 2.006 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.569 -3.394 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.189 -2.941 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.036 -1.478 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.089 -5.226 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.233 -5.157 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.719 -4.554 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.158 -2.156 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.174 -2.249 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.019 -3.735 0.865 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.781 -2.963 5.127 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.416 -3.601 6.268 1.00 0.00 C ATOM 1676 C LEU A 111 -5.757 -2.921 6.546 1.00 0.00 C ATOM 1677 O LEU A 111 -6.802 -3.571 6.530 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.470 -3.611 7.471 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.134 -4.987 8.049 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -2.336 -4.856 9.348 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.400 -5.826 8.236 1.00 0.00 C ATOM 0 H LEU A 111 -2.978 -2.378 5.357 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.628 -4.648 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.539 -3.124 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.913 -3.005 8.261 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.501 -5.513 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.110 -5.848 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.406 -4.323 9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.923 -4.303 10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.134 -6.799 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.077 -5.315 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.892 -5.962 7.273 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.686 -1.621 6.795 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.882 -0.846 7.076 1.00 0.00 C ATOM 1695 C GLU A 112 -7.856 -0.928 5.899 1.00 0.00 C ATOM 1696 O GLU A 112 -9.028 -0.579 6.034 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.530 0.608 7.396 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.584 0.692 8.596 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.000 1.818 9.545 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -5.925 2.986 9.106 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -6.383 1.485 10.687 1.00 0.00 O ATOM 0 H GLU A 112 -4.818 -1.085 6.808 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.368 -1.270 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.063 1.073 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.441 1.169 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.584 -0.258 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.565 0.862 8.249 1.00 0.00 H new ATOM 1708 N SER A 113 -7.335 -1.390 4.772 1.00 0.00 N ATOM 1709 CA SER A 113 -8.145 -1.522 3.573 1.00 0.00 C ATOM 1710 C SER A 113 -8.139 -2.975 3.094 1.00 0.00 C ATOM 1711 O SER A 113 -8.366 -3.245 1.916 1.00 0.00 O ATOM 1712 CB SER A 113 -7.641 -0.596 2.464 1.00 0.00 C ATOM 1713 OG SER A 113 -7.743 0.778 2.828 1.00 0.00 O ATOM 0 H SER A 113 -6.362 -1.677 4.664 1.00 0.00 H new ATOM 0 HA SER A 113 -9.167 -1.231 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.602 -0.835 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.215 -0.774 1.555 1.00 0.00 H new ATOM 0 HG SER A 113 -7.410 1.336 2.095 1.00 0.00 H new ATOM 1719 N LYS A 114 -7.875 -3.873 4.033 1.00 0.00 N ATOM 1720 CA LYS A 114 -7.836 -5.291 3.721 1.00 0.00 C ATOM 1721 C LYS A 114 -9.266 -5.823 3.607 1.00 0.00 C ATOM 1722 O LYS A 114 -9.600 -6.514 2.646 1.00 0.00 O ATOM 1723 CB LYS A 114 -6.981 -6.041 4.745 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.057 -7.047 4.056 1.00 0.00 C ATOM 1725 CD LYS A 114 -4.983 -7.556 5.020 1.00 0.00 C ATOM 1726 CE LYS A 114 -3.581 -7.272 4.478 1.00 0.00 C ATOM 1727 NZ LYS A 114 -2.826 -8.533 4.308 1.00 0.00 N ATOM 0 H LYS A 114 -7.686 -3.645 5.009 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.356 -5.456 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.387 -5.330 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.627 -6.561 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.643 -7.887 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.584 -6.579 3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.105 -7.077 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.107 -8.628 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.652 -6.752 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.048 -6.611 5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.865 -8.320 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.771 -9.030 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.310 -9.136 3.613 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.093 -5.473 4.628 1.00 0.00 N ATOM 1742 CA PRO A 115 -11.479 -5.908 4.652 1.00 0.00 C ATOM 1743 C PRO A 115 -12.320 -5.112 3.652 1.00 0.00 C ATOM 1744 O PRO A 115 -13.415 -5.534 3.281 1.00 0.00 O ATOM 1745 CB PRO A 115 -11.928 -5.715 6.091 1.00 0.00 C ATOM 1746 CG PRO A 115 -10.931 -4.751 6.713 1.00 0.00 C ATOM 1747 CD PRO A 115 -9.732 -4.657 5.784 1.00 0.00 C ATOM 0 HA PRO A 115 -11.599 -6.948 4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.940 -5.312 6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.940 -6.664 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.384 -3.770 6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.624 -5.102 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.536 -3.625 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.828 -5.030 6.265 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.777 -3.975 3.243 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.464 -3.116 2.293 1.00 0.00 C ATOM 1757 C GLU A 116 -13.042 -3.949 1.147 1.00 0.00 C ATOM 1758 O GLU A 116 -12.522 -5.016 0.826 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.529 -2.028 1.762 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.719 -0.719 2.532 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.999 0.443 1.576 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -12.522 0.160 0.477 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -11.684 1.588 1.967 1.00 0.00 O ATOM 0 H GLU A 116 -10.869 -3.628 3.552 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.287 -2.622 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.494 -2.359 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.723 -1.862 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.545 -0.823 3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.826 -0.505 3.119 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.138 -3.415 0.545 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.793 -4.096 -0.559 1.00 0.00 C ATOM 1772 C PRO A 117 -13.977 -3.963 -1.847 1.00 0.00 C ATOM 1773 O PRO A 117 -13.863 -4.916 -2.615 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.168 -3.456 -0.657 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.065 -2.133 0.083 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.781 -2.152 0.897 1.00 0.00 C ATOM 0 HA PRO A 117 -14.880 -5.171 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.453 -3.300 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.929 -4.095 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.058 -1.301 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.928 -1.992 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.144 -1.302 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.989 -2.098 1.966 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.432 -2.771 -2.043 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.631 -2.500 -3.225 1.00 0.00 C ATOM 1786 C GLN A 118 -11.273 -1.919 -2.824 1.00 0.00 C ATOM 1787 O GLN A 118 -11.063 -1.567 -1.664 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.367 -1.562 -4.183 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.083 -0.098 -3.843 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.154 0.821 -4.436 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.821 1.569 -3.740 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.281 0.722 -5.756 1.00 0.00 N ATOM 0 H GLN A 118 -13.529 -1.982 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.462 -3.441 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.058 -1.768 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.439 -1.750 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.050 0.028 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.103 0.185 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.690 0.075 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -14.969 1.293 -6.246 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.387 -1.837 -3.805 1.00 0.00 N ATOM 1802 CA VAL A 119 -9.056 -1.305 -3.569 1.00 0.00 C ATOM 1803 C VAL A 119 -8.602 -0.515 -4.799 1.00 0.00 C ATOM 1804 O VAL A 119 -8.391 -1.088 -5.866 1.00 0.00 O ATOM 1805 CB VAL A 119 -8.097 -2.438 -3.200 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.720 -1.890 -2.822 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.673 -3.298 -2.073 1.00 0.00 C ATOM 0 H VAL A 119 -10.565 -2.130 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.065 -0.616 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.975 -3.073 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.058 -2.716 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.303 -1.341 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.817 -1.222 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.972 -4.096 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.838 -2.679 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.620 -3.732 -2.394 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.466 0.789 -4.607 1.00 0.00 N ATOM 1818 CA GLU A 120 -8.041 1.664 -5.687 1.00 0.00 C ATOM 1819 C GLU A 120 -6.577 2.069 -5.497 1.00 0.00 C ATOM 1820 O GLU A 120 -6.256 2.848 -4.601 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.943 2.896 -5.781 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.483 3.827 -6.905 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.741 5.292 -6.544 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -9.814 5.551 -5.957 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -7.860 6.119 -6.863 1.00 0.00 O ATOM 0 H GLU A 120 -8.642 1.261 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.128 1.118 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.972 2.585 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.932 3.432 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.420 3.677 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.009 3.578 -7.827 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.729 1.521 -6.355 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.308 1.815 -6.294 1.00 0.00 C ATOM 1834 C LEU A 121 -3.984 2.952 -7.265 1.00 0.00 C ATOM 1835 O LEU A 121 -4.793 3.283 -8.131 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.487 0.547 -6.536 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.291 -0.366 -5.324 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.519 -0.339 -4.412 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -2.933 -1.788 -5.762 1.00 0.00 C ATOM 0 H LEU A 121 -5.999 0.875 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.033 2.159 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.969 -0.029 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.505 0.839 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.451 0.014 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.353 -0.996 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.688 0.678 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.393 -0.680 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.799 -2.417 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.736 -2.192 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.008 -1.769 -6.339 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.800 3.520 -7.088 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.359 4.612 -7.939 1.00 0.00 C ATOM 1853 C VAL A 122 -0.840 4.541 -8.108 1.00 0.00 C ATOM 1854 O VAL A 122 -0.095 4.783 -7.160 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.834 5.948 -7.362 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.539 7.098 -8.328 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.323 5.895 -7.011 1.00 0.00 C ATOM 0 H VAL A 122 -2.133 3.244 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.801 4.525 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.279 6.132 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.886 8.036 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.465 7.157 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.055 6.922 -9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.635 6.856 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.901 5.677 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.495 5.114 -6.271 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.427 4.207 -9.322 1.00 0.00 N ATOM 1868 CA VAL A 123 0.989 4.101 -9.627 1.00 0.00 C ATOM 1869 C VAL A 123 1.398 5.258 -10.540 1.00 0.00 C ATOM 1870 O VAL A 123 0.546 5.909 -11.144 1.00 0.00 O ATOM 1871 CB VAL A 123 1.293 2.728 -10.230 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.188 2.297 -11.198 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.658 2.721 -10.920 1.00 0.00 C ATOM 0 H VAL A 123 -1.048 4.006 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 123 1.582 4.180 -8.716 1.00 0.00 H new ATOM 0 HB VAL A 123 1.326 2.005 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.429 1.318 -11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.761 2.242 -10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.109 3.024 -12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.849 1.733 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.666 3.462 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.434 2.963 -10.194 1.00 0.00 H new ATOM 1883 N SER A 124 2.702 5.480 -10.613 1.00 0.00 N ATOM 1884 CA SER A 124 3.234 6.548 -11.443 1.00 0.00 C ATOM 1885 C SER A 124 4.629 6.173 -11.948 1.00 0.00 C ATOM 1886 O SER A 124 5.575 6.091 -11.167 1.00 0.00 O ATOM 1887 CB SER A 124 3.286 7.869 -10.673 1.00 0.00 C ATOM 1888 OG SER A 124 1.996 8.459 -10.537 1.00 0.00 O ATOM 0 H SER A 124 3.406 4.939 -10.111 1.00 0.00 H new ATOM 0 HA SER A 124 2.569 6.681 -12.297 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.711 7.696 -9.685 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.950 8.563 -11.189 1.00 0.00 H new ATOM 0 HG SER A 124 1.311 7.813 -10.809 1.00 0.00 H new ATOM 1894 N ARG A 125 4.711 5.954 -13.252 1.00 0.00 N ATOM 1895 CA ARG A 125 5.975 5.589 -13.871 1.00 0.00 C ATOM 1896 C ARG A 125 6.478 6.728 -14.760 1.00 0.00 C ATOM 1897 O ARG A 125 5.689 7.537 -15.246 1.00 0.00 O ATOM 1898 CB ARG A 125 5.829 4.320 -14.713 1.00 0.00 C ATOM 1899 CG ARG A 125 5.008 4.591 -15.975 1.00 0.00 C ATOM 1900 CD ARG A 125 3.722 3.762 -15.981 1.00 0.00 C ATOM 1901 NE ARG A 125 4.007 2.381 -15.532 1.00 0.00 N ATOM 1902 CZ ARG A 125 4.413 1.396 -16.345 1.00 0.00 C ATOM 1903 NH1 ARG A 125 4.583 1.634 -17.653 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.648 0.173 -15.850 1.00 0.00 N ATOM 0 H ARG A 125 3.924 6.022 -13.897 1.00 0.00 H new ATOM 0 HA ARG A 125 6.694 5.401 -13.073 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.815 3.947 -14.990 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.348 3.541 -14.122 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.762 5.651 -16.032 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.602 4.354 -16.858 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.981 4.220 -15.326 1.00 0.00 H new ATOM 0 HD3 ARG A 125 3.295 3.746 -16.984 1.00 0.00 H new ATOM 0 HE ARG A 125 3.887 2.165 -14.542 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.403 2.565 -18.030 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.892 0.884 -18.272 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.518 -0.008 -14.855 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.957 -0.577 -16.469 1.00 0.00 H new ATOM 1918 N SER A 126 7.790 6.755 -14.946 1.00 0.00 N ATOM 1919 CA SER A 126 8.409 7.781 -15.768 1.00 0.00 C ATOM 1920 C SER A 126 8.535 7.290 -17.211 1.00 0.00 C ATOM 1921 O SER A 126 9.355 6.420 -17.505 1.00 0.00 O ATOM 1922 CB SER A 126 9.781 8.174 -15.218 1.00 0.00 C ATOM 1923 OG SER A 126 10.796 7.254 -15.610 1.00 0.00 O ATOM 0 H SER A 126 8.441 6.082 -14.541 1.00 0.00 H new ATOM 0 HA SER A 126 7.773 8.666 -15.747 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.041 9.172 -15.570 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.735 8.222 -14.130 1.00 0.00 H new ATOM 0 HG SER A 126 10.391 6.510 -16.102 1.00 0.00 H new