USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 SER OG : rot -136:sc= -1.2 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 30 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.39 F(o=-1.3,f=-0.39) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -121:sc= -3 (180deg=-4.99!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 58 ASN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 21:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.085 5.172 0.909 1.00 0.00 N ATOM 215 CA VAL A 19 -6.633 3.887 0.507 1.00 0.00 C ATOM 216 C VAL A 19 -5.801 3.321 -0.645 1.00 0.00 C ATOM 217 O VAL A 19 -5.840 3.842 -1.759 1.00 0.00 O ATOM 218 CB VAL A 19 -8.114 4.037 0.157 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.292 4.725 -1.198 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.823 2.681 0.181 1.00 0.00 C ATOM 0 HA VAL A 19 -6.578 3.174 1.329 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.574 4.670 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.355 4.819 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.839 5.716 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.809 4.131 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.875 2.816 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.358 2.014 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.742 2.246 1.177 1.00 0.00 H new ATOM 230 N LEU A 20 -5.068 2.261 -0.338 1.00 0.00 N ATOM 231 CA LEU A 20 -4.228 1.618 -1.335 1.00 0.00 C ATOM 232 C LEU A 20 -5.100 0.768 -2.259 1.00 0.00 C ATOM 233 O LEU A 20 -5.313 -0.416 -2.003 1.00 0.00 O ATOM 234 CB LEU A 20 -3.100 0.834 -0.660 1.00 0.00 C ATOM 235 CG LEU A 20 -2.117 1.656 0.175 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.702 0.900 1.438 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.908 2.080 -0.663 1.00 0.00 C ATOM 0 H LEU A 20 -5.038 1.831 0.587 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.737 2.365 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.546 0.076 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.538 0.307 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.622 2.567 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.003 1.508 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.584 0.691 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.223 -0.039 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.224 2.663 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.395 1.194 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.243 2.686 -1.505 1.00 0.00 H new ATOM 248 N ARG A 21 -5.581 1.405 -3.317 1.00 0.00 N ATOM 249 CA ARG A 21 -6.427 0.722 -4.282 1.00 0.00 C ATOM 250 C ARG A 21 -5.569 -0.062 -5.277 1.00 0.00 C ATOM 251 O ARG A 21 -4.397 0.256 -5.478 1.00 0.00 O ATOM 252 CB ARG A 21 -7.303 1.715 -5.046 1.00 0.00 C ATOM 253 CG ARG A 21 -8.636 1.937 -4.328 1.00 0.00 C ATOM 254 CD ARG A 21 -9.752 2.254 -5.326 1.00 0.00 C ATOM 255 NE ARG A 21 -11.051 1.775 -4.801 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.176 1.714 -5.526 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.169 2.100 -6.809 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.308 1.265 -4.967 1.00 0.00 N ATOM 0 H ARG A 21 -5.401 2.387 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.071 0.036 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.778 2.665 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.486 1.343 -6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.897 1.047 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.537 2.756 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.797 3.328 -5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.540 1.779 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.092 1.473 -3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.307 2.441 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.026 2.053 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.313 0.970 -3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.165 1.218 -5.518 1.00 0.00 H new ATOM 269 N SER A 22 -6.186 -1.072 -5.874 1.00 0.00 N ATOM 270 CA SER A 22 -5.493 -1.903 -6.843 1.00 0.00 C ATOM 271 C SER A 22 -5.447 -1.198 -8.200 1.00 0.00 C ATOM 272 O SER A 22 -6.488 -0.899 -8.783 1.00 0.00 O ATOM 273 CB SER A 22 -6.168 -3.270 -6.978 1.00 0.00 C ATOM 274 OG SER A 22 -5.651 -4.015 -8.077 1.00 0.00 O ATOM 0 H SER A 22 -7.157 -1.333 -5.705 1.00 0.00 H new ATOM 0 HA SER A 22 -4.474 -2.063 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.027 -3.837 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.242 -3.133 -7.106 1.00 0.00 H new ATOM 0 HG SER A 22 -6.391 -4.429 -8.569 1.00 0.00 H new ATOM 279 N PRO A 23 -4.198 -0.947 -8.676 1.00 0.00 N ATOM 280 CA PRO A 23 -4.003 -0.282 -9.952 1.00 0.00 C ATOM 281 C PRO A 23 -4.292 -1.234 -11.115 1.00 0.00 C ATOM 282 O PRO A 23 -4.485 -0.795 -12.248 1.00 0.00 O ATOM 283 CB PRO A 23 -2.564 0.205 -9.928 1.00 0.00 C ATOM 284 CG PRO A 23 -1.869 -0.603 -8.842 1.00 0.00 C ATOM 285 CD PRO A 23 -2.943 -1.288 -8.012 1.00 0.00 C ATOM 0 HA PRO A 23 -4.689 0.552 -10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.084 0.054 -10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.516 1.272 -9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.200 -1.341 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.258 0.046 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.792 -2.367 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.932 -0.935 -6.981 1.00 0.00 H new ATOM 290 N SER A 24 -4.312 -2.519 -10.795 1.00 0.00 N ATOM 291 CA SER A 24 -4.574 -3.537 -11.800 1.00 0.00 C ATOM 292 C SER A 24 -4.931 -4.861 -11.121 1.00 0.00 C ATOM 293 O SER A 24 -4.450 -5.152 -10.027 1.00 0.00 O ATOM 294 CB SER A 24 -3.368 -3.723 -12.723 1.00 0.00 C ATOM 295 OG SER A 24 -3.744 -3.725 -14.097 1.00 0.00 O ATOM 0 H SER A 24 -4.151 -2.879 -9.854 1.00 0.00 H new ATOM 0 HA SER A 24 -5.416 -3.208 -12.409 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.648 -2.924 -12.545 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.868 -4.661 -12.482 1.00 0.00 H new ATOM 0 HG SER A 24 -2.947 -3.844 -14.654 1.00 0.00 H new ATOM 300 N ALA A 25 -5.774 -5.627 -11.799 1.00 0.00 N ATOM 301 CA ALA A 25 -6.201 -6.914 -11.276 1.00 0.00 C ATOM 302 C ALA A 25 -4.972 -7.774 -10.980 1.00 0.00 C ATOM 303 O ALA A 25 -3.846 -7.375 -11.273 1.00 0.00 O ATOM 304 CB ALA A 25 -7.153 -7.579 -12.273 1.00 0.00 C ATOM 0 H ALA A 25 -6.172 -5.381 -12.705 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.745 -6.786 -10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.474 -8.544 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.024 -6.942 -12.425 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.640 -7.725 -13.224 1.00 0.00 H new ATOM 310 N GLY A 26 -5.229 -8.938 -10.404 1.00 0.00 N ATOM 311 CA GLY A 26 -4.157 -9.859 -10.065 1.00 0.00 C ATOM 312 C GLY A 26 -4.591 -10.825 -8.961 1.00 0.00 C ATOM 313 O GLY A 26 -5.724 -11.304 -8.962 1.00 0.00 O ATOM 0 H GLY A 26 -6.164 -9.265 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.863 -10.422 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.281 -9.298 -9.739 1.00 0.00 H new ATOM 317 N LYS A 27 -3.667 -11.083 -8.047 1.00 0.00 N ATOM 318 CA LYS A 27 -3.940 -11.983 -6.941 1.00 0.00 C ATOM 319 C LYS A 27 -2.950 -11.708 -5.807 1.00 0.00 C ATOM 320 O LYS A 27 -1.739 -11.794 -6.003 1.00 0.00 O ATOM 321 CB LYS A 27 -3.939 -13.437 -7.418 1.00 0.00 C ATOM 322 CG LYS A 27 -5.208 -14.163 -6.970 1.00 0.00 C ATOM 323 CD LYS A 27 -5.609 -15.240 -7.981 1.00 0.00 C ATOM 324 CE LYS A 27 -6.877 -14.837 -8.736 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.707 -16.028 -9.029 1.00 0.00 N ATOM 0 H LYS A 27 -2.728 -10.684 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.939 -11.803 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.864 -13.467 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.063 -13.952 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.045 -14.619 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.021 -13.446 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.796 -15.401 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.774 -16.186 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.450 -14.124 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.610 -14.335 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.564 -15.737 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.163 -16.695 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.978 -16.490 -8.138 1.00 0.00 H new ATOM 335 N LEU A 28 -3.502 -11.381 -4.648 1.00 0.00 N ATOM 336 CA LEU A 28 -2.681 -11.091 -3.484 1.00 0.00 C ATOM 337 C LEU A 28 -1.985 -12.374 -3.025 1.00 0.00 C ATOM 338 O LEU A 28 -2.556 -13.460 -3.112 1.00 0.00 O ATOM 339 CB LEU A 28 -3.518 -10.421 -2.393 1.00 0.00 C ATOM 340 CG LEU A 28 -2.737 -9.635 -1.337 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.852 -8.572 -1.990 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.681 -9.033 -0.293 1.00 0.00 C ATOM 0 H LEU A 28 -4.507 -11.310 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.898 -10.376 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.227 -9.745 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.102 -11.190 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.077 -10.327 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.308 -8.028 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.143 -9.053 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.474 -7.877 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.101 -8.480 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.383 -8.358 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.232 -9.832 0.203 1.00 0.00 H new ATOM 353 N THR A 29 -0.761 -12.207 -2.545 1.00 0.00 N ATOM 354 CA THR A 29 0.019 -13.337 -2.072 1.00 0.00 C ATOM 355 C THR A 29 0.448 -13.119 -0.620 1.00 0.00 C ATOM 356 O THR A 29 0.125 -13.922 0.254 1.00 0.00 O ATOM 357 CB THR A 29 1.195 -13.532 -3.030 1.00 0.00 C ATOM 358 OG1 THR A 29 1.988 -12.362 -2.851 1.00 0.00 O ATOM 359 CG2 THR A 29 0.772 -13.475 -4.499 1.00 0.00 C ATOM 0 H THR A 29 -0.290 -11.305 -2.474 1.00 0.00 H new ATOM 0 HA THR A 29 -0.572 -14.253 -2.069 1.00 0.00 H new ATOM 0 HB THR A 29 1.671 -14.492 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.774 -12.407 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.645 -13.619 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.044 -14.261 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.325 -12.504 -4.711 1.00 0.00 H new ATOM 367 N GLN A 30 1.167 -12.027 -0.406 1.00 0.00 N ATOM 368 CA GLN A 30 1.643 -11.693 0.925 1.00 0.00 C ATOM 369 C GLN A 30 2.244 -10.286 0.937 1.00 0.00 C ATOM 370 O GLN A 30 2.233 -9.595 -0.080 1.00 0.00 O ATOM 371 CB GLN A 30 2.657 -12.727 1.420 1.00 0.00 C ATOM 372 CG GLN A 30 3.940 -12.680 0.586 1.00 0.00 C ATOM 373 CD GLN A 30 5.147 -13.134 1.410 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.144 -14.183 2.035 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.174 -12.291 1.375 1.00 0.00 N ATOM 0 H GLN A 30 1.431 -11.362 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 30 0.794 -11.709 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.893 -12.538 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.220 -13.724 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.832 -13.319 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.104 -11.666 0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.109 -11.430 0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.027 -12.505 1.892 1.00 0.00 H new ATOM 382 N TYR A 31 2.755 -9.904 2.099 1.00 0.00 N ATOM 383 CA TYR A 31 3.358 -8.592 2.256 1.00 0.00 C ATOM 384 C TYR A 31 4.832 -8.711 2.648 1.00 0.00 C ATOM 385 O TYR A 31 5.323 -9.809 2.906 1.00 0.00 O ATOM 386 CB TYR A 31 2.594 -7.910 3.391 1.00 0.00 C ATOM 387 CG TYR A 31 2.203 -8.851 4.533 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.145 -9.234 5.465 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.907 -9.318 4.629 1.00 0.00 C ATOM 390 CE1 TYR A 31 2.777 -10.120 6.540 1.00 0.00 C ATOM 391 CE2 TYR A 31 0.539 -10.204 5.703 1.00 0.00 C ATOM 392 CZ TYR A 31 1.493 -10.561 6.605 1.00 0.00 C ATOM 393 OH TYR A 31 1.144 -11.398 7.619 1.00 0.00 O ATOM 0 H TYR A 31 2.763 -10.481 2.940 1.00 0.00 H new ATOM 0 HA TYR A 31 3.307 -8.031 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.206 -7.102 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.691 -7.454 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.159 -8.870 5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.170 -9.019 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.505 -10.427 7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.471 -10.576 5.790 1.00 0.00 H new ATOM 0 HH TYR A 31 0.195 -11.630 7.539 1.00 0.00 H new ATOM 402 N THR A 32 5.497 -7.565 2.682 1.00 0.00 N ATOM 403 CA THR A 32 6.905 -7.526 3.038 1.00 0.00 C ATOM 404 C THR A 32 7.123 -6.621 4.252 1.00 0.00 C ATOM 405 O THR A 32 8.257 -6.276 4.578 1.00 0.00 O ATOM 406 CB THR A 32 7.694 -7.087 1.803 1.00 0.00 C ATOM 407 OG1 THR A 32 7.259 -5.749 1.572 1.00 0.00 O ATOM 408 CG2 THR A 32 7.270 -7.840 0.540 1.00 0.00 C ATOM 0 H THR A 32 5.086 -6.656 2.469 1.00 0.00 H new ATOM 0 HA THR A 32 7.264 -8.511 3.337 1.00 0.00 H new ATOM 0 HB THR A 32 8.759 -7.242 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.722 -5.385 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.860 -7.491 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.434 -8.908 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.213 -7.658 0.345 1.00 0.00 H new ATOM 416 N VAL A 33 6.018 -6.263 4.890 1.00 0.00 N ATOM 417 CA VAL A 33 6.074 -5.404 6.060 1.00 0.00 C ATOM 418 C VAL A 33 5.261 -6.038 7.192 1.00 0.00 C ATOM 419 O VAL A 33 4.269 -6.721 6.941 1.00 0.00 O ATOM 420 CB VAL A 33 5.597 -3.996 5.700 1.00 0.00 C ATOM 421 CG1 VAL A 33 5.968 -3.644 4.256 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.092 -3.849 5.931 1.00 0.00 C ATOM 0 H VAL A 33 5.078 -6.553 4.618 1.00 0.00 H new ATOM 0 HA VAL A 33 7.101 -5.305 6.411 1.00 0.00 H new ATOM 0 HB VAL A 33 6.106 -3.292 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.618 -2.638 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.051 -3.687 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.500 -4.356 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.780 -2.838 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.557 -4.568 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.865 -4.036 6.981 1.00 0.00 H new ATOM 432 N GLU A 34 5.713 -5.791 8.412 1.00 0.00 N ATOM 433 CA GLU A 34 5.041 -6.329 9.582 1.00 0.00 C ATOM 434 C GLU A 34 3.873 -5.427 9.985 1.00 0.00 C ATOM 435 O GLU A 34 3.635 -4.395 9.359 1.00 0.00 O ATOM 436 CB GLU A 34 6.021 -6.508 10.743 1.00 0.00 C ATOM 437 CG GLU A 34 6.787 -5.213 11.019 1.00 0.00 C ATOM 438 CD GLU A 34 6.645 -4.794 12.484 1.00 0.00 C ATOM 439 OE1 GLU A 34 5.499 -4.484 12.877 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.686 -4.793 13.178 1.00 0.00 O ATOM 0 H GLU A 34 6.537 -5.225 8.616 1.00 0.00 H new ATOM 0 HA GLU A 34 4.645 -7.312 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.478 -6.811 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.724 -7.308 10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.841 -5.351 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.412 -4.420 10.372 1.00 0.00 H new ATOM 445 N ASP A 35 3.174 -5.848 11.029 1.00 0.00 N ATOM 446 CA ASP A 35 2.036 -5.092 11.523 1.00 0.00 C ATOM 447 C ASP A 35 2.378 -3.600 11.511 1.00 0.00 C ATOM 448 O ASP A 35 3.438 -3.198 11.988 1.00 0.00 O ATOM 449 CB ASP A 35 1.694 -5.487 12.961 1.00 0.00 C ATOM 450 CG ASP A 35 0.290 -6.061 13.156 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.631 -5.247 13.381 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.169 -7.303 13.077 1.00 0.00 O ATOM 0 H ASP A 35 3.374 -6.704 11.547 1.00 0.00 H new ATOM 0 HA ASP A 35 1.183 -5.306 10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.422 -6.223 13.303 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.804 -4.610 13.599 1.00 0.00 H new ATOM 456 N GLY A 36 1.458 -2.820 10.962 1.00 0.00 N ATOM 457 CA GLY A 36 1.650 -1.381 10.882 1.00 0.00 C ATOM 458 C GLY A 36 3.069 -1.041 10.423 1.00 0.00 C ATOM 459 O GLY A 36 3.677 -0.096 10.923 1.00 0.00 O ATOM 0 H GLY A 36 0.579 -3.156 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.927 -0.952 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.462 -0.931 11.857 1.00 0.00 H new ATOM 463 N GLY A 37 3.555 -1.829 9.476 1.00 0.00 N ATOM 464 CA GLY A 37 4.891 -1.624 8.943 1.00 0.00 C ATOM 465 C GLY A 37 5.006 -0.257 8.265 1.00 0.00 C ATOM 466 O GLY A 37 4.092 0.170 7.561 1.00 0.00 O ATOM 0 H GLY A 37 3.047 -2.611 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.623 -1.698 9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.125 -2.411 8.226 1.00 0.00 H new ATOM 470 N HIS A 38 6.137 0.391 8.501 1.00 0.00 N ATOM 471 CA HIS A 38 6.384 1.701 7.922 1.00 0.00 C ATOM 472 C HIS A 38 7.338 1.565 6.734 1.00 0.00 C ATOM 473 O HIS A 38 8.312 0.816 6.797 1.00 0.00 O ATOM 474 CB HIS A 38 6.894 2.677 8.984 1.00 0.00 C ATOM 475 CG HIS A 38 7.609 3.881 8.419 1.00 0.00 C ATOM 476 ND1 HIS A 38 8.796 3.981 7.753 1.00 0.00 N flip ATOM 477 CD2 HIS A 38 7.104 5.166 8.512 1.00 0.00 C flip ATOM 478 CE1 HIS A 38 9.003 5.258 7.455 1.00 0.00 C flip ATOM 479 NE2 HIS A 38 7.956 5.995 7.926 1.00 0.00 N flip ATOM 0 H HIS A 38 6.893 0.034 9.085 1.00 0.00 H new ATOM 0 HA HIS A 38 5.450 2.119 7.547 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.051 3.017 9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.570 2.147 9.655 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.173 5.446 8.983 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.860 5.649 6.926 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.848 7.006 7.842 1.00 0.00 H new ATOM 486 N VAL A 39 7.026 2.302 5.677 1.00 0.00 N ATOM 487 CA VAL A 39 7.843 2.273 4.477 1.00 0.00 C ATOM 488 C VAL A 39 8.033 3.701 3.960 1.00 0.00 C ATOM 489 O VAL A 39 7.591 4.659 4.594 1.00 0.00 O ATOM 490 CB VAL A 39 7.216 1.341 3.439 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.582 -0.119 3.720 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.698 1.524 3.383 1.00 0.00 C ATOM 0 H VAL A 39 6.218 2.923 5.628 1.00 0.00 H new ATOM 0 HA VAL A 39 8.832 1.872 4.699 1.00 0.00 H new ATOM 0 HB VAL A 39 7.622 1.606 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.123 -0.760 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.665 -0.236 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.218 -0.402 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.277 0.850 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.268 1.299 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.465 2.554 3.113 1.00 0.00 H new ATOM 502 N GLU A 40 8.690 3.799 2.814 1.00 0.00 N ATOM 503 CA GLU A 40 8.944 5.093 2.205 1.00 0.00 C ATOM 504 C GLU A 40 8.185 5.215 0.883 1.00 0.00 C ATOM 505 O GLU A 40 7.857 4.210 0.255 1.00 0.00 O ATOM 506 CB GLU A 40 10.443 5.318 1.999 1.00 0.00 C ATOM 507 CG GLU A 40 11.136 5.643 3.325 1.00 0.00 C ATOM 508 CD GLU A 40 12.385 6.497 3.095 1.00 0.00 C ATOM 509 OE1 GLU A 40 13.404 5.909 2.671 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.293 7.716 3.349 1.00 0.00 O ATOM 0 H GLU A 40 9.054 3.003 2.291 1.00 0.00 H new ATOM 0 HA GLU A 40 8.584 5.868 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.891 4.427 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.598 6.134 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.445 6.172 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.411 4.718 3.832 1.00 0.00 H new ATOM 515 N ALA A 41 7.927 6.457 0.497 1.00 0.00 N ATOM 516 CA ALA A 41 7.212 6.724 -0.739 1.00 0.00 C ATOM 517 C ALA A 41 8.071 6.280 -1.926 1.00 0.00 C ATOM 518 O ALA A 41 8.965 7.008 -2.355 1.00 0.00 O ATOM 519 CB ALA A 41 6.846 8.208 -0.807 1.00 0.00 C ATOM 0 H ALA A 41 8.201 7.289 1.019 1.00 0.00 H new ATOM 0 HA ALA A 41 6.282 6.157 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.310 8.408 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.212 8.466 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.755 8.809 -0.777 1.00 0.00 H new ATOM 525 N GLY A 42 7.768 5.090 -2.421 1.00 0.00 N ATOM 526 CA GLY A 42 8.501 4.541 -3.549 1.00 0.00 C ATOM 527 C GLY A 42 8.928 3.097 -3.276 1.00 0.00 C ATOM 528 O GLY A 42 9.454 2.424 -4.160 1.00 0.00 O ATOM 0 H GLY A 42 7.025 4.490 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.879 4.577 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.381 5.153 -3.748 1.00 0.00 H new ATOM 532 N SER A 43 8.685 2.665 -2.048 1.00 0.00 N ATOM 533 CA SER A 43 9.038 1.313 -1.646 1.00 0.00 C ATOM 534 C SER A 43 7.869 0.365 -1.919 1.00 0.00 C ATOM 535 O SER A 43 6.868 0.761 -2.515 1.00 0.00 O ATOM 536 CB SER A 43 9.429 1.262 -0.168 1.00 0.00 C ATOM 537 OG SER A 43 10.830 1.445 0.020 1.00 0.00 O ATOM 0 H SER A 43 8.248 3.227 -1.317 1.00 0.00 H new ATOM 0 HA SER A 43 9.900 0.995 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.886 2.034 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.129 0.303 0.254 1.00 0.00 H new ATOM 0 HG SER A 43 11.039 1.408 0.977 1.00 0.00 H new ATOM 542 N SER A 44 8.034 -0.871 -1.469 1.00 0.00 N ATOM 543 CA SER A 44 7.005 -1.879 -1.656 1.00 0.00 C ATOM 544 C SER A 44 6.529 -2.401 -0.299 1.00 0.00 C ATOM 545 O SER A 44 7.341 -2.673 0.584 1.00 0.00 O ATOM 546 CB SER A 44 7.516 -3.034 -2.519 1.00 0.00 C ATOM 547 OG SER A 44 8.374 -3.907 -1.789 1.00 0.00 O ATOM 0 H SER A 44 8.865 -1.197 -0.975 1.00 0.00 H new ATOM 0 HA SER A 44 6.165 -1.417 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.669 -3.599 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.053 -2.634 -3.379 1.00 0.00 H new ATOM 0 HG SER A 44 8.678 -4.632 -2.374 1.00 0.00 H new ATOM 552 N TYR A 45 5.216 -2.522 -0.175 1.00 0.00 N ATOM 553 CA TYR A 45 4.622 -3.006 1.060 1.00 0.00 C ATOM 554 C TYR A 45 3.972 -4.376 0.856 1.00 0.00 C ATOM 555 O TYR A 45 3.641 -5.060 1.823 1.00 0.00 O ATOM 556 CB TYR A 45 3.540 -1.991 1.434 1.00 0.00 C ATOM 557 CG TYR A 45 2.211 -2.204 0.707 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.410 -3.279 1.033 1.00 0.00 C ATOM 559 CD2 TYR A 45 1.812 -1.319 -0.275 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.158 -3.478 0.348 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.561 -1.518 -0.959 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.204 -2.588 -0.614 1.00 0.00 C ATOM 563 OH TYR A 45 -1.386 -2.776 -1.260 1.00 0.00 O ATOM 0 H TYR A 45 4.546 -2.293 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 45 5.381 -3.112 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.366 -2.039 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.906 -0.988 1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.721 -3.971 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.439 -0.477 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.479 -4.315 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.237 -0.833 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.515 -2.063 -1.920 1.00 0.00 H new ATOM 572 N ALA A 46 3.808 -4.735 -0.409 1.00 0.00 N ATOM 573 CA ALA A 46 3.202 -6.010 -0.752 1.00 0.00 C ATOM 574 C ALA A 46 3.424 -6.291 -2.240 1.00 0.00 C ATOM 575 O ALA A 46 4.059 -5.502 -2.936 1.00 0.00 O ATOM 576 CB ALA A 46 1.719 -5.991 -0.376 1.00 0.00 C ATOM 0 H ALA A 46 4.084 -4.165 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 46 3.668 -6.819 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.266 -6.948 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.617 -5.819 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.216 -5.193 -0.921 1.00 0.00 H new ATOM 582 N GLU A 47 2.886 -7.418 -2.683 1.00 0.00 N ATOM 583 CA GLU A 47 3.015 -7.812 -4.075 1.00 0.00 C ATOM 584 C GLU A 47 1.697 -8.397 -4.587 1.00 0.00 C ATOM 585 O GLU A 47 0.724 -8.488 -3.841 1.00 0.00 O ATOM 586 CB GLU A 47 4.164 -8.806 -4.259 1.00 0.00 C ATOM 587 CG GLU A 47 5.448 -8.286 -3.609 1.00 0.00 C ATOM 588 CD GLU A 47 5.717 -8.997 -2.282 1.00 0.00 C ATOM 589 OE1 GLU A 47 4.774 -9.049 -1.463 1.00 0.00 O ATOM 590 OE2 GLU A 47 6.861 -9.474 -2.115 1.00 0.00 O ATOM 0 H GLU A 47 2.360 -8.071 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 47 3.248 -6.924 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.893 -9.766 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.334 -8.978 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.290 -8.439 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.365 -7.212 -3.440 1.00 0.00 H new ATOM 595 N MET A 48 1.709 -8.778 -5.856 1.00 0.00 N ATOM 596 CA MET A 48 0.526 -9.351 -6.476 1.00 0.00 C ATOM 597 C MET A 48 0.893 -10.127 -7.742 1.00 0.00 C ATOM 598 O MET A 48 1.976 -9.945 -8.295 1.00 0.00 O ATOM 599 CB MET A 48 -0.458 -8.233 -6.829 1.00 0.00 C ATOM 600 CG MET A 48 0.206 -7.178 -7.716 1.00 0.00 C ATOM 601 SD MET A 48 -0.607 -7.120 -9.305 1.00 0.00 S ATOM 602 CE MET A 48 -2.242 -6.613 -8.798 1.00 0.00 C ATOM 0 H MET A 48 2.519 -8.701 -6.472 1.00 0.00 H new ATOM 0 HA MET A 48 0.066 -10.042 -5.769 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.322 -8.653 -7.343 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.826 -7.766 -5.916 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.154 -6.201 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.262 -7.413 -7.847 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.969 -7.363 -9.110 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.271 -6.509 -7.713 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.486 -5.657 -9.261 1.00 0.00 H new ATOM 610 N GLU A 49 -0.032 -10.977 -8.165 1.00 0.00 N ATOM 611 CA GLU A 49 0.181 -11.783 -9.356 1.00 0.00 C ATOM 612 C GLU A 49 -0.897 -11.481 -10.399 1.00 0.00 C ATOM 613 O GLU A 49 -2.078 -11.733 -10.167 1.00 0.00 O ATOM 614 CB GLU A 49 0.210 -13.273 -9.012 1.00 0.00 C ATOM 615 CG GLU A 49 0.683 -14.102 -10.209 1.00 0.00 C ATOM 616 CD GLU A 49 1.260 -15.443 -9.751 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.659 -16.035 -8.828 1.00 0.00 O ATOM 618 OE2 GLU A 49 2.288 -15.848 -10.335 1.00 0.00 O ATOM 0 H GLU A 49 -0.930 -11.125 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 49 1.152 -11.524 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.873 -13.441 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.785 -13.600 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.151 -14.274 -10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.439 -13.547 -10.765 1.00 0.00 H new ATOM 623 N VAL A 50 -0.451 -10.947 -11.527 1.00 0.00 N ATOM 624 CA VAL A 50 -1.362 -10.608 -12.606 1.00 0.00 C ATOM 625 C VAL A 50 -0.762 -11.064 -13.938 1.00 0.00 C ATOM 626 O VAL A 50 0.435 -10.902 -14.170 1.00 0.00 O ATOM 627 CB VAL A 50 -1.679 -9.112 -12.575 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.397 -8.283 -12.464 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.495 -8.698 -13.801 1.00 0.00 C ATOM 0 H VAL A 50 0.530 -10.741 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.311 -11.130 -12.481 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.283 -8.916 -11.689 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.650 -7.223 -12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.129 -8.548 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.244 -8.487 -13.322 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.706 -7.630 -13.754 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.928 -8.916 -14.706 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.433 -9.253 -13.818 1.00 0.00 H new ATOM 639 N MET A 51 -1.619 -11.626 -14.776 1.00 0.00 N ATOM 640 CA MET A 51 -1.188 -12.107 -16.078 1.00 0.00 C ATOM 641 C MET A 51 -0.092 -13.165 -15.936 1.00 0.00 C ATOM 642 O MET A 51 0.864 -13.181 -16.709 1.00 0.00 O ATOM 643 CB MET A 51 -0.660 -10.934 -16.906 1.00 0.00 C ATOM 644 CG MET A 51 -1.808 -10.180 -17.581 1.00 0.00 C ATOM 645 SD MET A 51 -1.716 -10.386 -19.352 1.00 0.00 S ATOM 646 CE MET A 51 -0.787 -8.926 -19.787 1.00 0.00 C ATOM 0 H MET A 51 -2.611 -11.760 -14.579 1.00 0.00 H new ATOM 0 HA MET A 51 -2.043 -12.561 -16.578 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.101 -10.253 -16.264 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.034 -11.301 -17.663 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.764 -10.551 -17.213 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.758 -9.121 -17.327 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.638 -8.897 -20.866 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.336 -8.038 -19.473 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.182 -8.949 -19.288 1.00 0.00 H new ATOM 654 N LYS A 52 -0.267 -14.023 -14.942 1.00 0.00 N ATOM 655 CA LYS A 52 0.694 -15.082 -14.688 1.00 0.00 C ATOM 656 C LYS A 52 2.071 -14.464 -14.434 1.00 0.00 C ATOM 657 O LYS A 52 3.095 -15.087 -14.708 1.00 0.00 O ATOM 658 CB LYS A 52 0.680 -16.102 -15.828 1.00 0.00 C ATOM 659 CG LYS A 52 -0.071 -17.371 -15.419 1.00 0.00 C ATOM 660 CD LYS A 52 0.393 -18.574 -16.242 1.00 0.00 C ATOM 661 CE LYS A 52 -0.454 -18.732 -17.507 1.00 0.00 C ATOM 662 NZ LYS A 52 0.064 -19.838 -18.342 1.00 0.00 N ATOM 0 H LYS A 52 -1.061 -14.006 -14.302 1.00 0.00 H new ATOM 0 HA LYS A 52 0.422 -15.637 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.208 -15.663 -16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.703 -16.355 -16.107 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.090 -17.567 -14.359 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.142 -17.224 -15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.441 -18.450 -16.515 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.325 -19.480 -15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.491 -18.928 -17.235 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.444 -17.803 -18.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.522 -19.932 -19.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.046 -19.635 -18.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.032 -20.726 -17.801 1.00 0.00 H new ATOM 672 N MET A 53 2.051 -13.247 -13.910 1.00 0.00 N ATOM 673 CA MET A 53 3.284 -12.539 -13.615 1.00 0.00 C ATOM 674 C MET A 53 3.255 -11.952 -12.203 1.00 0.00 C ATOM 675 O MET A 53 2.186 -11.637 -11.680 1.00 0.00 O ATOM 676 CB MET A 53 3.482 -11.413 -14.633 1.00 0.00 C ATOM 677 CG MET A 53 3.835 -11.975 -16.011 1.00 0.00 C ATOM 678 SD MET A 53 4.981 -10.886 -16.839 1.00 0.00 S ATOM 679 CE MET A 53 4.006 -10.439 -18.267 1.00 0.00 C ATOM 0 H MET A 53 1.200 -12.734 -13.682 1.00 0.00 H new ATOM 0 HA MET A 53 4.111 -13.246 -13.677 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.572 -10.816 -14.702 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.275 -10.747 -14.294 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.274 -12.967 -15.907 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.931 -12.088 -16.609 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.576 -9.757 -18.898 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.759 -11.336 -18.834 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.087 -9.951 -17.942 1.00 0.00 H new ATOM 687 N ILE A 54 4.440 -11.821 -11.626 1.00 0.00 N ATOM 688 CA ILE A 54 4.563 -11.276 -10.284 1.00 0.00 C ATOM 689 C ILE A 54 4.993 -9.810 -10.371 1.00 0.00 C ATOM 690 O ILE A 54 5.952 -9.480 -11.067 1.00 0.00 O ATOM 691 CB ILE A 54 5.500 -12.142 -9.438 1.00 0.00 C ATOM 692 CG1 ILE A 54 5.073 -13.611 -9.478 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.594 -11.611 -8.007 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.753 -13.819 -8.733 1.00 0.00 C ATOM 0 H ILE A 54 5.324 -12.083 -12.063 1.00 0.00 H new ATOM 0 HA ILE A 54 3.600 -11.297 -9.775 1.00 0.00 H new ATOM 0 HB ILE A 54 6.500 -12.085 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.965 -13.934 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.849 -14.231 -9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.266 -12.244 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.979 -10.591 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.604 -11.618 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.472 -14.871 -8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.871 -13.518 -7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.973 -13.216 -9.199 1.00 0.00 H new ATOM 705 N MET A 55 4.261 -8.970 -9.653 1.00 0.00 N ATOM 706 CA MET A 55 4.554 -7.546 -9.640 1.00 0.00 C ATOM 707 C MET A 55 4.531 -6.995 -8.213 1.00 0.00 C ATOM 708 O MET A 55 3.688 -7.386 -7.407 1.00 0.00 O ATOM 709 CB MET A 55 3.523 -6.805 -10.492 1.00 0.00 C ATOM 710 CG MET A 55 3.740 -5.292 -10.423 1.00 0.00 C ATOM 711 SD MET A 55 2.464 -4.449 -11.344 1.00 0.00 S ATOM 712 CE MET A 55 3.191 -2.824 -11.465 1.00 0.00 C ATOM 0 H MET A 55 3.467 -9.248 -9.077 1.00 0.00 H new ATOM 0 HA MET A 55 5.552 -7.395 -10.051 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.594 -7.139 -11.527 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.518 -7.048 -10.146 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.729 -4.962 -9.384 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.720 -5.038 -10.827 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.520 -2.165 -12.016 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.354 -2.423 -10.465 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.145 -2.890 -11.989 1.00 0.00 H new ATOM 720 N THR A 56 5.464 -6.095 -7.945 1.00 0.00 N ATOM 721 CA THR A 56 5.561 -5.485 -6.630 1.00 0.00 C ATOM 722 C THR A 56 4.470 -4.427 -6.451 1.00 0.00 C ATOM 723 O THR A 56 4.063 -3.781 -7.414 1.00 0.00 O ATOM 724 CB THR A 56 6.978 -4.931 -6.468 1.00 0.00 C ATOM 725 OG1 THR A 56 7.793 -5.842 -7.200 1.00 0.00 O ATOM 726 CG2 THR A 56 7.491 -5.043 -5.031 1.00 0.00 C ATOM 0 H THR A 56 6.161 -5.773 -8.617 1.00 0.00 H new ATOM 0 HA THR A 56 5.392 -6.218 -5.841 1.00 0.00 H new ATOM 0 HB THR A 56 6.996 -3.886 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.729 -5.557 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.500 -4.636 -4.972 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.834 -4.483 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.505 -6.091 -4.730 1.00 0.00 H new ATOM 734 N LEU A 57 4.029 -4.284 -5.210 1.00 0.00 N ATOM 735 CA LEU A 57 2.993 -3.316 -4.892 1.00 0.00 C ATOM 736 C LEU A 57 3.594 -2.193 -4.045 1.00 0.00 C ATOM 737 O LEU A 57 3.984 -2.415 -2.900 1.00 0.00 O ATOM 738 CB LEU A 57 1.796 -4.007 -4.236 1.00 0.00 C ATOM 739 CG LEU A 57 0.583 -4.248 -5.139 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.387 -5.241 -4.498 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.101 -2.929 -5.501 1.00 0.00 C ATOM 0 H LEU A 57 4.370 -4.822 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 57 2.607 -2.858 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.127 -4.968 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.477 -3.406 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 57 0.932 -4.695 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.240 -5.395 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.121 -6.191 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.735 -4.846 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.959 -3.128 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.436 -2.431 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.604 -2.286 -6.028 1.00 0.00 H new ATOM 752 N ASN A 58 3.649 -1.009 -4.640 1.00 0.00 N ATOM 753 CA ASN A 58 4.196 0.148 -3.954 1.00 0.00 C ATOM 754 C ASN A 58 3.062 0.909 -3.263 1.00 0.00 C ATOM 755 O ASN A 58 1.891 0.566 -3.425 1.00 0.00 O ATOM 756 CB ASN A 58 4.873 1.103 -4.940 1.00 0.00 C ATOM 757 CG ASN A 58 5.834 0.349 -5.861 1.00 0.00 C ATOM 758 OD1 ASN A 58 5.714 0.367 -7.076 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.792 -0.314 -5.217 1.00 0.00 N ATOM 0 H ASN A 58 3.323 -0.827 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 58 4.931 -0.205 -3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.116 1.612 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.417 1.872 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.483 -0.849 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.835 -0.287 -4.198 1.00 0.00 H new ATOM 765 N VAL A 59 3.449 1.927 -2.509 1.00 0.00 N ATOM 766 CA VAL A 59 2.479 2.738 -1.793 1.00 0.00 C ATOM 767 C VAL A 59 2.271 4.056 -2.542 1.00 0.00 C ATOM 768 O VAL A 59 3.172 4.532 -3.232 1.00 0.00 O ATOM 769 CB VAL A 59 2.932 2.939 -0.345 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.617 1.705 0.504 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.420 3.286 -0.279 1.00 0.00 C ATOM 0 H VAL A 59 4.421 2.209 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 59 1.515 2.232 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 59 2.374 3.780 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.949 1.874 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.542 1.523 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.135 0.839 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.716 3.424 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.002 2.476 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.604 4.206 -0.833 1.00 0.00 H new ATOM 781 N GLN A 60 1.077 4.609 -2.382 1.00 0.00 N ATOM 782 CA GLN A 60 0.740 5.863 -3.034 1.00 0.00 C ATOM 783 C GLN A 60 1.491 7.022 -2.378 1.00 0.00 C ATOM 784 O GLN A 60 1.440 8.153 -2.860 1.00 0.00 O ATOM 785 CB GLN A 60 -0.771 6.105 -3.009 1.00 0.00 C ATOM 786 CG GLN A 60 -1.255 6.692 -4.337 1.00 0.00 C ATOM 787 CD GLN A 60 -2.653 6.181 -4.684 1.00 0.00 C ATOM 788 OE1 GLN A 60 -3.042 5.075 -4.345 1.00 0.00 O ATOM 789 NE2 GLN A 60 -3.388 7.045 -5.379 1.00 0.00 N ATOM 0 H GLN A 60 0.332 4.211 -1.810 1.00 0.00 H new ATOM 0 HA GLN A 60 1.048 5.801 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.290 5.167 -2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.020 6.785 -2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.267 7.780 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.559 6.425 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.003 7.955 -5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.337 6.797 -5.660 1.00 0.00 H new ATOM 796 N GLU A 61 2.174 6.702 -1.288 1.00 0.00 N ATOM 797 CA GLU A 61 2.935 7.704 -0.561 1.00 0.00 C ATOM 798 C GLU A 61 3.289 7.190 0.836 1.00 0.00 C ATOM 799 O GLU A 61 2.603 6.324 1.376 1.00 0.00 O ATOM 800 CB GLU A 61 2.168 9.024 -0.480 1.00 0.00 C ATOM 801 CG GLU A 61 2.671 10.016 -1.531 1.00 0.00 C ATOM 802 CD GLU A 61 3.139 11.318 -0.877 1.00 0.00 C ATOM 803 OE1 GLU A 61 2.267 12.186 -0.654 1.00 0.00 O ATOM 804 OE2 GLU A 61 4.356 11.415 -0.614 1.00 0.00 O ATOM 0 H GLU A 61 2.216 5.763 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 61 3.861 7.893 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.104 8.840 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.282 9.454 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.493 9.571 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.876 10.229 -2.245 1.00 0.00 H new ATOM 809 N ARG A 62 4.362 7.744 1.382 1.00 0.00 N ATOM 810 CA ARG A 62 4.816 7.352 2.705 1.00 0.00 C ATOM 811 C ARG A 62 3.619 7.056 3.610 1.00 0.00 C ATOM 812 O ARG A 62 2.541 7.618 3.426 1.00 0.00 O ATOM 813 CB ARG A 62 5.669 8.451 3.343 1.00 0.00 C ATOM 814 CG ARG A 62 4.836 9.706 3.610 1.00 0.00 C ATOM 815 CD ARG A 62 5.003 10.726 2.482 1.00 0.00 C ATOM 816 NE ARG A 62 4.354 12.004 2.854 1.00 0.00 N ATOM 817 CZ ARG A 62 4.665 13.190 2.315 1.00 0.00 C ATOM 818 NH1 ARG A 62 5.619 13.270 1.378 1.00 0.00 N ATOM 819 NH2 ARG A 62 4.023 14.296 2.714 1.00 0.00 N ATOM 0 H ARG A 62 4.930 8.462 0.932 1.00 0.00 H new ATOM 0 HA ARG A 62 5.424 6.454 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.096 8.088 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.503 8.697 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.785 9.435 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.139 10.153 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.062 10.891 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.563 10.339 1.563 1.00 0.00 H new ATOM 0 HE ARG A 62 3.624 11.980 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.108 12.428 1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.856 14.173 0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.297 14.235 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.260 15.199 2.304 1.00 0.00 H new ATOM 830 N GLY A 63 3.849 6.172 4.571 1.00 0.00 N ATOM 831 CA GLY A 63 2.803 5.794 5.506 1.00 0.00 C ATOM 832 C GLY A 63 2.936 4.325 5.911 1.00 0.00 C ATOM 833 O GLY A 63 3.588 3.543 5.222 1.00 0.00 O ATOM 0 H GLY A 63 4.744 5.707 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.857 6.426 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.826 5.963 5.053 1.00 0.00 H new ATOM 837 N ARG A 64 2.305 3.993 7.028 1.00 0.00 N ATOM 838 CA ARG A 64 2.344 2.631 7.534 1.00 0.00 C ATOM 839 C ARG A 64 1.254 1.787 6.871 1.00 0.00 C ATOM 840 O ARG A 64 0.095 2.194 6.818 1.00 0.00 O ATOM 841 CB ARG A 64 2.149 2.602 9.052 1.00 0.00 C ATOM 842 CG ARG A 64 3.411 3.075 9.776 1.00 0.00 C ATOM 843 CD ARG A 64 3.101 4.245 10.711 1.00 0.00 C ATOM 844 NE ARG A 64 3.756 4.034 12.021 1.00 0.00 N ATOM 845 CZ ARG A 64 3.372 4.631 13.158 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.335 5.480 13.152 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.025 4.380 14.300 1.00 0.00 N ATOM 0 H ARG A 64 1.764 4.644 7.597 1.00 0.00 H new ATOM 0 HA ARG A 64 3.324 2.217 7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.308 3.239 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.900 1.590 9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.837 2.251 10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.162 3.377 9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.449 5.178 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.023 4.338 10.845 1.00 0.00 H new ATOM 0 HE ARG A 64 4.549 3.394 12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.838 5.672 12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.043 5.934 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.815 3.734 14.305 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.733 4.834 15.165 1.00 0.00 H new ATOM 858 N VAL A 65 1.665 0.627 6.380 1.00 0.00 N ATOM 859 CA VAL A 65 0.738 -0.278 5.722 1.00 0.00 C ATOM 860 C VAL A 65 0.029 -1.130 6.776 1.00 0.00 C ATOM 861 O VAL A 65 0.593 -1.415 7.832 1.00 0.00 O ATOM 862 CB VAL A 65 1.478 -1.115 4.676 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.532 -2.110 4.001 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.160 -0.218 3.640 1.00 0.00 C ATOM 0 H VAL A 65 2.628 0.293 6.425 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.029 0.283 5.188 1.00 0.00 H new ATOM 0 HB VAL A 65 2.253 -1.685 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.083 -2.692 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.113 -2.780 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.275 -1.568 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.679 -0.837 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.409 0.390 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.878 0.433 4.139 1.00 0.00 H new ATOM 874 N LYS A 66 -1.197 -1.514 6.454 1.00 0.00 N ATOM 875 CA LYS A 66 -1.989 -2.328 7.359 1.00 0.00 C ATOM 876 C LYS A 66 -2.638 -3.471 6.576 1.00 0.00 C ATOM 877 O LYS A 66 -2.732 -3.414 5.351 1.00 0.00 O ATOM 878 CB LYS A 66 -2.991 -1.460 8.124 1.00 0.00 C ATOM 879 CG LYS A 66 -3.163 -1.957 9.560 1.00 0.00 C ATOM 880 CD LYS A 66 -4.553 -2.560 9.769 1.00 0.00 C ATOM 881 CE LYS A 66 -4.795 -2.885 11.244 1.00 0.00 C ATOM 882 NZ LYS A 66 -5.277 -4.276 11.398 1.00 0.00 N ATOM 0 H LYS A 66 -1.662 -1.276 5.578 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.352 -2.783 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.649 -0.425 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.954 -1.474 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.401 -2.704 9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.013 -1.131 10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.313 -1.862 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.653 -3.467 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.872 -2.749 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.527 -2.192 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.436 -4.479 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.169 -4.394 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.565 -4.934 11.021 1.00 0.00 H new ATOM 892 N TYR A 67 -3.070 -4.482 7.315 1.00 0.00 N ATOM 893 CA TYR A 67 -3.707 -5.637 6.705 1.00 0.00 C ATOM 894 C TYR A 67 -5.223 -5.446 6.623 1.00 0.00 C ATOM 895 O TYR A 67 -5.882 -5.232 7.639 1.00 0.00 O ATOM 896 CB TYR A 67 -3.403 -6.821 7.624 1.00 0.00 C ATOM 897 CG TYR A 67 -4.531 -7.852 7.704 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.913 -8.547 6.573 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.166 -8.088 8.906 1.00 0.00 C ATOM 900 CE1 TYR A 67 -5.974 -9.516 6.648 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.228 -9.059 8.981 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.580 -9.725 7.849 1.00 0.00 C ATOM 903 OH TYR A 67 -7.582 -10.642 7.920 1.00 0.00 O ATOM 0 H TYR A 67 -2.991 -4.525 8.331 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.336 -5.789 5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.497 -7.316 7.275 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.196 -6.446 8.626 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.415 -8.363 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.867 -7.545 9.790 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.283 -10.065 5.771 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.733 -9.253 9.916 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.920 -10.686 8.839 1.00 0.00 H new ATOM 912 N ILE A 68 -5.733 -5.531 5.403 1.00 0.00 N ATOM 913 CA ILE A 68 -7.159 -5.370 5.175 1.00 0.00 C ATOM 914 C ILE A 68 -7.718 -6.650 4.552 1.00 0.00 C ATOM 915 O ILE A 68 -8.451 -7.393 5.203 1.00 0.00 O ATOM 916 CB ILE A 68 -7.431 -4.113 4.346 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.941 -2.859 5.074 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.910 -4.015 3.966 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.870 -2.505 6.238 1.00 0.00 C ATOM 0 H ILE A 68 -5.184 -5.709 4.562 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.681 -5.219 6.120 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.865 -4.188 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.930 -3.022 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.892 -2.024 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.075 -3.113 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.193 -4.888 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.516 -3.974 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.500 -1.610 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.875 -2.319 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.897 -3.333 6.946 1.00 0.00 H new ATOM 930 N LYS A 69 -7.353 -6.869 3.296 1.00 0.00 N ATOM 931 CA LYS A 69 -7.810 -8.046 2.578 1.00 0.00 C ATOM 932 C LYS A 69 -6.831 -9.197 2.820 1.00 0.00 C ATOM 933 O LYS A 69 -5.617 -9.008 2.756 1.00 0.00 O ATOM 934 CB LYS A 69 -8.023 -7.721 1.098 1.00 0.00 C ATOM 935 CG LYS A 69 -8.971 -6.532 0.930 1.00 0.00 C ATOM 936 CD LYS A 69 -10.403 -6.914 1.306 1.00 0.00 C ATOM 937 CE LYS A 69 -11.010 -7.861 0.269 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.473 -7.664 0.179 1.00 0.00 N ATOM 0 H LYS A 69 -6.746 -6.250 2.758 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.781 -8.368 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.065 -7.496 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.432 -8.592 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.636 -5.704 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.943 -6.183 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.410 -7.390 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.014 -6.015 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.553 -7.684 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.793 -8.894 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.868 -8.315 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.907 -7.855 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.675 -6.683 -0.102 1.00 0.00 H new ATOM 948 N ARG A 70 -7.396 -10.364 3.094 1.00 0.00 N ATOM 949 CA ARG A 70 -6.588 -11.545 3.346 1.00 0.00 C ATOM 950 C ARG A 70 -5.716 -11.862 2.129 1.00 0.00 C ATOM 951 O ARG A 70 -6.111 -11.603 0.993 1.00 0.00 O ATOM 952 CB ARG A 70 -7.467 -12.756 3.663 1.00 0.00 C ATOM 953 CG ARG A 70 -7.999 -12.689 5.095 1.00 0.00 C ATOM 954 CD ARG A 70 -9.377 -12.025 5.139 1.00 0.00 C ATOM 955 NE ARG A 70 -10.278 -12.785 6.032 1.00 0.00 N ATOM 956 CZ ARG A 70 -11.574 -12.498 6.214 1.00 0.00 C ATOM 957 NH1 ARG A 70 -12.129 -11.466 5.565 1.00 0.00 N ATOM 958 NH2 ARG A 70 -12.316 -13.244 7.045 1.00 0.00 N ATOM 0 H ARG A 70 -8.403 -10.517 3.147 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.954 -11.335 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.302 -12.797 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.892 -13.672 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.063 -13.695 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.302 -12.130 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.283 -10.998 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.800 -11.980 4.135 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.888 -13.578 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.565 -10.899 4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.116 -11.248 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.894 -14.030 7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.303 -13.025 7.183 1.00 0.00 H new ATOM 969 N PRO A 71 -4.515 -12.432 2.415 1.00 0.00 N ATOM 970 CA PRO A 71 -3.584 -12.786 1.358 1.00 0.00 C ATOM 971 C PRO A 71 -4.044 -14.044 0.620 1.00 0.00 C ATOM 972 O PRO A 71 -4.146 -15.115 1.216 1.00 0.00 O ATOM 973 CB PRO A 71 -2.245 -12.963 2.056 1.00 0.00 C ATOM 974 CG PRO A 71 -2.565 -13.158 3.529 1.00 0.00 C ATOM 975 CD PRO A 71 -4.014 -12.754 3.748 1.00 0.00 C ATOM 0 HA PRO A 71 -3.517 -12.022 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.707 -13.822 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.609 -12.091 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.410 -14.197 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.902 -12.553 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.586 -13.563 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.089 -11.897 4.417 1.00 0.00 H new ATOM 980 N GLY A 72 -4.310 -13.874 -0.666 1.00 0.00 N ATOM 981 CA GLY A 72 -4.758 -14.983 -1.491 1.00 0.00 C ATOM 982 C GLY A 72 -6.085 -14.654 -2.179 1.00 0.00 C ATOM 983 O GLY A 72 -6.638 -15.485 -2.899 1.00 0.00 O ATOM 0 H GLY A 72 -4.224 -12.984 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.002 -15.211 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.875 -15.875 -0.875 1.00 0.00 H new ATOM 987 N ALA A 73 -6.558 -13.441 -1.932 1.00 0.00 N ATOM 988 CA ALA A 73 -7.810 -12.993 -2.517 1.00 0.00 C ATOM 989 C ALA A 73 -7.590 -12.673 -3.998 1.00 0.00 C ATOM 990 O ALA A 73 -6.464 -12.731 -4.488 1.00 0.00 O ATOM 991 CB ALA A 73 -8.339 -11.791 -1.733 1.00 0.00 C ATOM 0 H ALA A 73 -6.097 -12.755 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.564 -13.778 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.278 -11.455 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.506 -12.079 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.610 -10.982 -1.772 1.00 0.00 H new ATOM 997 N VAL A 74 -8.684 -12.343 -4.668 1.00 0.00 N ATOM 998 CA VAL A 74 -8.625 -12.013 -6.081 1.00 0.00 C ATOM 999 C VAL A 74 -8.483 -10.498 -6.243 1.00 0.00 C ATOM 1000 O VAL A 74 -9.377 -9.744 -5.865 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.851 -12.578 -6.803 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.048 -11.636 -6.668 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.539 -12.863 -8.272 1.00 0.00 C ATOM 0 H VAL A 74 -9.617 -12.297 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.751 -12.473 -6.543 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.114 -13.523 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.906 -12.061 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.292 -11.507 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.801 -10.668 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.427 -13.264 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.238 -11.939 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.729 -13.590 -8.338 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.351 -10.099 -6.804 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.079 -8.688 -7.019 1.00 0.00 C ATOM 1015 C LEU A 75 -7.770 -8.230 -8.306 1.00 0.00 C ATOM 1016 O LEU A 75 -7.535 -8.793 -9.374 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.572 -8.422 -7.003 1.00 0.00 C ATOM 1018 CG LEU A 75 -5.054 -7.574 -5.839 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.144 -6.082 -6.168 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.782 -7.920 -4.540 1.00 0.00 C ATOM 0 H LEU A 75 -6.611 -10.728 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.492 -8.093 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.054 -9.381 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.300 -7.928 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.000 -7.809 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.770 -5.500 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.543 -5.867 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.183 -5.814 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.394 -7.303 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.849 -7.733 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.623 -8.972 -4.303 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.608 -7.215 -8.161 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.334 -6.676 -9.299 1.00 0.00 C ATOM 1033 C GLU A 76 -9.008 -5.192 -9.482 1.00 0.00 C ATOM 1034 O GLU A 76 -8.628 -4.515 -8.529 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.841 -6.891 -9.139 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.383 -7.809 -10.236 1.00 0.00 C ATOM 1037 CD GLU A 76 -11.585 -9.232 -9.710 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.334 -9.369 -8.720 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -10.985 -10.149 -10.310 1.00 0.00 O ATOM 0 H GLU A 76 -8.801 -6.751 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.017 -7.211 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.048 -7.325 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.355 -5.931 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.330 -7.417 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.691 -7.823 -11.078 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.169 -4.732 -10.714 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.897 -3.341 -11.034 1.00 0.00 C ATOM 1046 C ALA A 77 -9.858 -2.443 -10.252 1.00 0.00 C ATOM 1047 O ALA A 77 -11.075 -2.578 -10.374 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.006 -3.134 -12.546 1.00 0.00 C ATOM 0 H ALA A 77 -9.484 -5.298 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.883 -3.072 -10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.802 -2.091 -12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.282 -3.771 -13.054 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.012 -3.392 -12.877 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.276 -1.550 -9.466 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.066 -0.632 -8.664 1.00 0.00 C ATOM 1056 C GLY A 78 -10.666 -1.341 -7.448 1.00 0.00 C ATOM 1057 O GLY A 78 -11.877 -1.305 -7.238 1.00 0.00 O ATOM 0 H GLY A 78 -8.266 -1.443 -9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.441 0.198 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.865 -0.207 -9.272 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.789 -1.970 -6.679 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.216 -2.687 -5.490 1.00 0.00 C ATOM 1063 C CYS A 79 -9.353 -2.226 -4.314 1.00 0.00 C ATOM 1064 O CYS A 79 -8.376 -1.503 -4.504 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.148 -4.203 -5.688 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.743 -4.821 -6.339 1.00 0.00 S ATOM 0 H CYS A 79 -8.785 -1.998 -6.856 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.262 -2.460 -5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.343 -4.452 -6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.918 -4.692 -4.741 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.394 -3.842 -6.893 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.743 -2.664 -3.127 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.016 -2.304 -1.920 1.00 0.00 C ATOM 1073 C VAL A 80 -8.094 -3.459 -1.523 1.00 0.00 C ATOM 1074 O VAL A 80 -8.482 -4.623 -1.603 1.00 0.00 O ATOM 1075 CB VAL A 80 -9.999 -1.916 -0.814 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.942 -3.076 -0.487 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.256 -1.444 0.437 1.00 0.00 C ATOM 0 H VAL A 80 -10.553 -3.265 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.387 -1.432 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.604 -1.086 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.630 -2.774 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.508 -3.347 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.360 -3.935 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.977 -1.174 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.615 -2.246 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.645 -0.575 0.191 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.891 -3.096 -1.104 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.910 -4.087 -0.695 1.00 0.00 C ATOM 1089 C VAL A 81 -5.551 -3.864 0.776 1.00 0.00 C ATOM 1090 O VAL A 81 -5.647 -4.784 1.587 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.694 -4.034 -1.622 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.733 -5.188 -1.332 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.123 -4.034 -3.090 1.00 0.00 C ATOM 0 H VAL A 81 -6.573 -2.129 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.323 -5.092 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.165 -3.101 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.877 -5.127 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.388 -5.124 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.247 -6.137 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.240 -3.996 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.686 -4.942 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.750 -3.164 -3.286 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.145 -2.639 1.074 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.771 -2.285 2.433 1.00 0.00 C ATOM 1105 C ALA A 82 -5.009 -0.789 2.649 1.00 0.00 C ATOM 1106 O ALA A 82 -5.475 -0.095 1.748 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.316 -2.687 2.683 1.00 0.00 C ATOM 0 H ALA A 82 -5.067 -1.879 0.398 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.386 -2.824 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.035 -2.422 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.207 -3.763 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.668 -2.163 1.980 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.676 -0.338 3.849 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.848 1.064 4.195 1.00 0.00 C ATOM 1115 C ARG A 83 -3.487 1.753 4.305 1.00 0.00 C ATOM 1116 O ARG A 83 -2.468 1.095 4.515 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.598 1.216 5.521 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.109 1.264 5.292 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.499 2.484 4.455 1.00 0.00 C ATOM 1120 NE ARG A 83 -8.865 2.927 4.810 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.147 3.748 5.831 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -8.159 4.220 6.603 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.417 4.097 6.080 1.00 0.00 N ATOM 0 H ARG A 83 -4.288 -0.917 4.594 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.434 1.532 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.352 0.383 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.274 2.127 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.433 0.354 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.625 1.297 6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.790 3.294 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.452 2.237 3.394 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.641 2.586 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.193 3.954 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.373 4.845 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.169 3.738 5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.631 4.722 6.857 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.512 3.069 4.159 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.294 3.857 4.239 1.00 0.00 C ATOM 1136 C LEU A 84 -2.464 4.947 5.297 1.00 0.00 C ATOM 1137 O LEU A 84 -3.304 5.835 5.149 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.911 4.393 2.858 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.443 4.227 2.458 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.063 5.209 1.347 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.475 4.356 3.674 1.00 0.00 C ATOM 0 H LEU A 84 -4.359 3.611 3.985 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.458 3.234 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.529 3.894 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.160 5.454 2.820 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.310 3.221 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.985 5.070 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.686 5.027 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.217 6.230 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.512 4.234 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.345 5.340 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.223 3.586 4.403 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.654 4.847 6.341 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.705 5.816 7.423 1.00 0.00 C ATOM 1154 C GLU A 85 -0.581 6.842 7.271 1.00 0.00 C ATOM 1155 O GLU A 85 0.538 6.615 7.728 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.632 5.120 8.784 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.592 5.768 9.783 1.00 0.00 C ATOM 1158 CD GLU A 85 -4.028 5.295 9.551 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -4.259 4.077 9.719 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -4.862 6.161 9.210 1.00 0.00 O ATOM 0 H GLU A 85 -0.959 4.110 6.461 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.658 6.342 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.878 4.064 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.613 5.170 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.285 5.523 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.543 6.853 9.688 1.00 0.00 H new