USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.641 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00412 X(o=-0.0041,f=-0.1) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 109:sc= 1.02 USER MOD Single : A 84 MET CE :methyl -170:sc= 0 (180deg=-0.209) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.518 -2.371 -9.608 1.00 0.00 N ATOM 245 CA CYS A 16 5.437 -3.067 -8.931 1.00 0.00 C ATOM 246 C CYS A 16 6.041 -4.200 -8.100 1.00 0.00 C ATOM 247 O CYS A 16 5.964 -4.184 -6.872 1.00 0.00 O ATOM 248 CB CYS A 16 4.387 -3.580 -9.919 1.00 0.00 C ATOM 249 SG CYS A 16 2.709 -3.154 -9.327 1.00 0.00 S ATOM 0 HA CYS A 16 4.912 -2.375 -8.272 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.557 -3.142 -10.903 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.479 -4.660 -10.031 1.00 0.00 H new ATOM 0 HG CYS A 16 1.826 -3.592 -10.174 1.00 0.00 H new ATOM 255 N VAL A 17 6.628 -5.158 -8.802 1.00 0.00 N ATOM 256 CA VAL A 17 7.246 -6.297 -8.145 1.00 0.00 C ATOM 257 C VAL A 17 8.742 -6.030 -7.969 1.00 0.00 C ATOM 258 O VAL A 17 9.187 -5.665 -6.882 1.00 0.00 O ATOM 259 CB VAL A 17 6.955 -7.576 -8.933 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.963 -8.674 -8.586 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.521 -8.053 -8.695 1.00 0.00 C ATOM 0 H VAL A 17 6.689 -5.169 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 17 6.823 -6.440 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 17 7.060 -7.347 -9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.734 -9.572 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.970 -8.334 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.904 -8.899 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.341 -8.963 -9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.377 -8.256 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.823 -7.280 -9.015 1.00 0.00 H new ATOM 271 N SER A 18 9.476 -6.222 -9.055 1.00 0.00 N ATOM 272 CA SER A 18 10.913 -6.007 -9.034 1.00 0.00 C ATOM 273 C SER A 18 11.568 -6.940 -8.014 1.00 0.00 C ATOM 274 O SER A 18 10.880 -7.695 -7.327 1.00 0.00 O ATOM 275 CB SER A 18 11.247 -4.549 -8.710 1.00 0.00 C ATOM 276 OG SER A 18 12.461 -4.130 -9.326 1.00 0.00 O ATOM 0 H SER A 18 9.103 -6.524 -9.955 1.00 0.00 H new ATOM 0 HA SER A 18 11.306 -6.231 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.431 -3.908 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.328 -4.427 -7.630 1.00 0.00 H new ATOM 0 HG SER A 18 12.638 -3.194 -9.096 1.00 0.00 H new ATOM 282 N GLU A 19 12.888 -6.859 -7.947 1.00 0.00 N ATOM 283 CA GLU A 19 13.643 -7.687 -7.022 1.00 0.00 C ATOM 284 C GLU A 19 13.140 -7.480 -5.592 1.00 0.00 C ATOM 285 O GLU A 19 13.275 -8.365 -4.749 1.00 0.00 O ATOM 286 CB GLU A 19 15.142 -7.396 -7.123 1.00 0.00 C ATOM 287 CG GLU A 19 15.953 -8.693 -7.135 1.00 0.00 C ATOM 288 CD GLU A 19 15.670 -9.505 -8.401 1.00 0.00 C ATOM 289 OE1 GLU A 19 15.300 -8.930 -9.435 1.00 0.00 O ATOM 290 OE2 GLU A 19 15.849 -10.777 -8.284 1.00 0.00 O ATOM 0 H GLU A 19 13.455 -6.232 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 19 13.490 -8.732 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.345 -6.827 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.453 -6.776 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.017 -8.462 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.708 -9.288 -6.255 1.00 0.00 H new ATOM 297 N LYS A 20 12.569 -6.307 -5.363 1.00 0.00 N ATOM 298 CA LYS A 20 12.045 -5.973 -4.050 1.00 0.00 C ATOM 299 C LYS A 20 11.031 -7.036 -3.625 1.00 0.00 C ATOM 300 O LYS A 20 11.208 -7.695 -2.601 1.00 0.00 O ATOM 301 CB LYS A 20 11.483 -4.550 -4.043 1.00 0.00 C ATOM 302 CG LYS A 20 12.581 -3.528 -3.744 1.00 0.00 C ATOM 303 CD LYS A 20 12.741 -2.540 -4.902 1.00 0.00 C ATOM 304 CE LYS A 20 14.003 -1.692 -4.729 1.00 0.00 C ATOM 305 NZ LYS A 20 14.150 -0.746 -5.858 1.00 0.00 N ATOM 0 H LYS A 20 12.458 -5.576 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 20 12.844 -5.979 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.030 -4.330 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.694 -4.471 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.339 -2.986 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.525 -4.044 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.791 -3.084 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.867 -1.891 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.952 -1.141 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.878 -2.339 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.011 -0.178 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.220 -1.277 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.323 -0.117 -5.894 1.00 0.00 H new ATOM 319 N LEU A 21 9.990 -7.172 -4.433 1.00 0.00 N ATOM 320 CA LEU A 21 8.947 -8.145 -4.153 1.00 0.00 C ATOM 321 C LEU A 21 9.537 -9.554 -4.227 1.00 0.00 C ATOM 322 O LEU A 21 9.363 -10.353 -3.308 1.00 0.00 O ATOM 323 CB LEU A 21 7.751 -7.930 -5.083 1.00 0.00 C ATOM 324 CG LEU A 21 6.504 -7.317 -4.441 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.915 -8.253 -3.384 1.00 0.00 C ATOM 326 CD2 LEU A 21 6.806 -5.928 -3.873 1.00 0.00 C ATOM 0 H LEU A 21 9.846 -6.625 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 21 8.564 -8.012 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.066 -7.287 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.477 -8.891 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 21 5.748 -7.190 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.030 -7.793 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.639 -9.199 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.656 -8.434 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.903 -5.515 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.586 -6.006 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.144 -5.272 -4.676 1.00 0.00 H new ATOM 338 N LEU A 22 10.224 -9.817 -5.330 1.00 0.00 N ATOM 339 CA LEU A 22 10.841 -11.116 -5.535 1.00 0.00 C ATOM 340 C LEU A 22 11.456 -11.598 -4.219 1.00 0.00 C ATOM 341 O LEU A 22 11.358 -12.776 -3.879 1.00 0.00 O ATOM 342 CB LEU A 22 11.837 -11.059 -6.695 1.00 0.00 C ATOM 343 CG LEU A 22 11.459 -11.859 -7.943 1.00 0.00 C ATOM 344 CD1 LEU A 22 11.246 -13.336 -7.605 1.00 0.00 C ATOM 345 CD2 LEU A 22 10.240 -11.249 -8.638 1.00 0.00 C ATOM 0 H LEU A 22 10.366 -9.152 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 22 10.091 -11.852 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.970 -10.016 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.802 -11.417 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 22 12.290 -11.806 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.978 -13.881 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.165 -13.750 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.443 -13.430 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.993 -11.837 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.392 -11.250 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.465 -10.225 -8.935 1.00 0.00 H new ATOM 357 N ARG A 23 12.076 -10.662 -3.516 1.00 0.00 N ATOM 358 CA ARG A 23 12.707 -10.976 -2.245 1.00 0.00 C ATOM 359 C ARG A 23 11.652 -11.095 -1.144 1.00 0.00 C ATOM 360 O ARG A 23 11.627 -12.080 -0.407 1.00 0.00 O ATOM 361 CB ARG A 23 13.723 -9.901 -1.855 1.00 0.00 C ATOM 362 CG ARG A 23 14.754 -10.454 -0.868 1.00 0.00 C ATOM 363 CD ARG A 23 15.716 -11.420 -1.563 1.00 0.00 C ATOM 364 NE ARG A 23 15.374 -12.816 -1.210 1.00 0.00 N ATOM 365 CZ ARG A 23 15.373 -13.299 0.050 1.00 0.00 C ATOM 366 NH1 ARG A 23 15.696 -12.501 1.090 1.00 0.00 N ATOM 367 NH2 ARG A 23 15.051 -14.563 0.251 1.00 0.00 N ATOM 0 H ARG A 23 12.155 -9.686 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 23 13.227 -11.927 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.229 -9.533 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.206 -9.052 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.316 -9.632 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.244 -10.967 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.662 -11.286 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.742 -11.202 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 23 15.123 -13.453 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.943 -11.525 0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.693 -12.874 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.808 -15.159 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.045 -14.944 1.197 1.00 0.00 H new ATOM 381 N LYS A 24 10.807 -10.078 -1.066 1.00 0.00 N ATOM 382 CA LYS A 24 9.752 -10.056 -0.066 1.00 0.00 C ATOM 383 C LYS A 24 9.047 -11.413 -0.046 1.00 0.00 C ATOM 384 O LYS A 24 8.545 -11.841 0.992 1.00 0.00 O ATOM 385 CB LYS A 24 8.809 -8.876 -0.308 1.00 0.00 C ATOM 386 CG LYS A 24 8.688 -8.005 0.943 1.00 0.00 C ATOM 387 CD LYS A 24 9.815 -6.971 1.002 1.00 0.00 C ATOM 388 CE LYS A 24 9.254 -5.547 0.980 1.00 0.00 C ATOM 389 NZ LYS A 24 9.039 -5.053 2.358 1.00 0.00 N ATOM 0 H LYS A 24 10.831 -9.263 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 24 10.172 -9.900 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.178 -8.275 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.824 -9.246 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.723 -7.497 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.719 -8.634 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.403 -7.120 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.489 -7.113 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.943 -4.886 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.313 -5.529 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.658 -4.086 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.364 -5.674 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.944 -5.051 2.871 1.00 0.00 H new ATOM 403 N THR A 25 9.031 -12.054 -1.206 1.00 0.00 N ATOM 404 CA THR A 25 8.395 -13.354 -1.335 1.00 0.00 C ATOM 405 C THR A 25 8.661 -14.203 -0.090 1.00 0.00 C ATOM 406 O THR A 25 9.711 -14.078 0.538 1.00 0.00 O ATOM 407 CB THR A 25 8.895 -13.999 -2.629 1.00 0.00 C ATOM 408 OG1 THR A 25 7.826 -14.852 -3.027 1.00 0.00 O ATOM 409 CG2 THR A 25 10.066 -14.954 -2.392 1.00 0.00 C ATOM 0 H THR A 25 9.449 -11.697 -2.065 1.00 0.00 H new ATOM 0 HA THR A 25 7.311 -13.260 -1.400 1.00 0.00 H new ATOM 0 HB THR A 25 9.198 -13.221 -3.329 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.065 -15.309 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.382 -15.385 -3.342 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.897 -14.407 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.754 -15.752 -1.718 1.00 0.00 H new ATOM 417 N ARG A 26 7.692 -15.048 0.229 1.00 0.00 N ATOM 418 CA ARG A 26 7.808 -15.918 1.387 1.00 0.00 C ATOM 419 C ARG A 26 6.652 -16.919 1.417 1.00 0.00 C ATOM 420 O ARG A 26 5.924 -17.063 0.435 1.00 0.00 O ATOM 421 CB ARG A 26 7.807 -15.109 2.685 1.00 0.00 C ATOM 422 CG ARG A 26 9.173 -15.169 3.370 1.00 0.00 C ATOM 423 CD ARG A 26 9.091 -14.646 4.806 1.00 0.00 C ATOM 424 NE ARG A 26 9.612 -15.663 5.746 1.00 0.00 N ATOM 425 CZ ARG A 26 10.914 -16.007 5.843 1.00 0.00 C ATOM 426 NH1 ARG A 26 11.839 -15.418 5.056 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.269 -16.929 6.718 1.00 0.00 N ATOM 0 H ARG A 26 6.822 -15.149 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 26 8.754 -16.453 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.549 -14.072 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.042 -15.496 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.537 -16.196 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.893 -14.578 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.666 -13.724 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.058 -14.404 5.055 1.00 0.00 H new ATOM 0 HE ARG A 26 8.946 -16.133 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.557 -14.707 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.820 -15.684 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.564 -17.370 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.248 -17.200 6.804 1.00 0.00 H new ATOM 441 N GLU A 27 6.518 -17.587 2.553 1.00 0.00 N ATOM 442 CA GLU A 27 5.463 -18.571 2.724 1.00 0.00 C ATOM 443 C GLU A 27 4.784 -18.390 4.083 1.00 0.00 C ATOM 444 O GLU A 27 4.828 -19.284 4.927 1.00 0.00 O ATOM 445 CB GLU A 27 6.008 -19.992 2.568 1.00 0.00 C ATOM 446 CG GLU A 27 5.917 -20.457 1.113 1.00 0.00 C ATOM 447 CD GLU A 27 6.018 -21.981 1.017 1.00 0.00 C ATOM 448 OE1 GLU A 27 7.130 -22.528 1.001 1.00 0.00 O ATOM 449 OE2 GLU A 27 4.888 -22.600 0.960 1.00 0.00 O ATOM 0 H GLU A 27 7.123 -17.466 3.365 1.00 0.00 H new ATOM 0 HA GLU A 27 4.718 -18.416 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.046 -20.026 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.446 -20.673 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.974 -20.123 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.716 -19.999 0.530 1.00 0.00 H new ATOM 456 N SER A 28 4.170 -17.228 4.253 1.00 0.00 N ATOM 457 CA SER A 28 3.482 -16.919 5.495 1.00 0.00 C ATOM 458 C SER A 28 1.990 -16.713 5.229 1.00 0.00 C ATOM 459 O SER A 28 1.569 -16.607 4.078 1.00 0.00 O ATOM 460 CB SER A 28 4.080 -15.678 6.161 1.00 0.00 C ATOM 461 OG SER A 28 4.515 -15.944 7.492 1.00 0.00 O ATOM 0 H SER A 28 4.135 -16.489 3.551 1.00 0.00 H new ATOM 0 HA SER A 28 3.610 -17.760 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.922 -15.319 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.337 -14.880 6.175 1.00 0.00 H new ATOM 0 HG SER A 28 4.892 -15.128 7.882 1.00 0.00 H new ATOM 467 N PRO A 29 1.210 -16.659 6.342 1.00 0.00 N ATOM 468 CA PRO A 29 -0.227 -16.467 6.241 1.00 0.00 C ATOM 469 C PRO A 29 -0.562 -15.015 5.894 1.00 0.00 C ATOM 470 O PRO A 29 0.056 -14.090 6.416 1.00 0.00 O ATOM 471 CB PRO A 29 -0.777 -16.898 7.590 1.00 0.00 C ATOM 472 CG PRO A 29 0.402 -16.874 8.549 1.00 0.00 C ATOM 473 CD PRO A 29 1.674 -16.780 7.721 1.00 0.00 C ATOM 0 HA PRO A 29 -0.675 -17.053 5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.565 -16.223 7.924 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.214 -17.895 7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.325 -16.025 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.412 -17.774 9.164 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.274 -15.919 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.299 -17.664 7.853 1.00 0.00 H new ATOM 481 N LEU A 30 -1.542 -14.862 5.015 1.00 0.00 N ATOM 482 CA LEU A 30 -1.968 -13.539 4.592 1.00 0.00 C ATOM 483 C LEU A 30 -3.226 -13.141 5.365 1.00 0.00 C ATOM 484 O LEU A 30 -3.557 -11.960 5.456 1.00 0.00 O ATOM 485 CB LEU A 30 -2.139 -13.491 3.072 1.00 0.00 C ATOM 486 CG LEU A 30 -3.417 -14.126 2.521 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.414 -13.054 2.076 1.00 0.00 C ATOM 488 CD2 LEU A 30 -3.098 -15.114 1.398 1.00 0.00 C ATOM 0 H LEU A 30 -2.053 -15.633 4.584 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.202 -12.800 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.109 -12.448 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.284 -13.988 2.614 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.890 -14.693 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.314 -13.532 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.675 -12.425 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.964 -12.440 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.024 -15.551 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.590 -14.592 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.453 -15.904 1.781 1.00 0.00 H new ATOM 500 N VAL A 31 -3.895 -14.150 5.904 1.00 0.00 N ATOM 501 CA VAL A 31 -5.110 -13.921 6.666 1.00 0.00 C ATOM 502 C VAL A 31 -4.846 -12.854 7.730 1.00 0.00 C ATOM 503 O VAL A 31 -5.605 -11.893 7.853 1.00 0.00 O ATOM 504 CB VAL A 31 -5.615 -15.240 7.256 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.123 -15.043 8.685 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.698 -15.857 6.369 1.00 0.00 C ATOM 0 H VAL A 31 -3.618 -15.129 5.828 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.902 -13.546 6.018 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.775 -15.934 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.476 -15.996 9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.313 -14.668 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.943 -14.325 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.040 -16.793 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.538 -15.167 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.289 -16.051 5.377 1.00 0.00 H new ATOM 516 N PRO A 32 -3.738 -13.063 8.491 1.00 0.00 N ATOM 517 CA PRO A 32 -3.364 -12.129 9.540 1.00 0.00 C ATOM 518 C PRO A 32 -2.760 -10.854 8.950 1.00 0.00 C ATOM 519 O PRO A 32 -3.197 -9.750 9.271 1.00 0.00 O ATOM 520 CB PRO A 32 -2.390 -12.896 10.420 1.00 0.00 C ATOM 521 CG PRO A 32 -1.898 -14.062 9.578 1.00 0.00 C ATOM 522 CD PRO A 32 -2.816 -14.188 8.374 1.00 0.00 C ATOM 0 HA PRO A 32 -4.219 -11.785 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.560 -12.261 10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.879 -13.249 11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.870 -13.894 9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.904 -14.983 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.254 -14.144 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.349 -15.139 8.380 1.00 0.00 H new ATOM 530 N ILE A 33 -1.765 -11.048 8.097 1.00 0.00 N ATOM 531 CA ILE A 33 -1.096 -9.927 7.459 1.00 0.00 C ATOM 532 C ILE A 33 -2.144 -8.988 6.860 1.00 0.00 C ATOM 533 O ILE A 33 -2.020 -7.768 6.961 1.00 0.00 O ATOM 534 CB ILE A 33 -0.065 -10.426 6.444 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.208 -9.579 6.496 1.00 0.00 C ATOM 536 CG2 ILE A 33 -0.663 -10.477 5.036 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.259 -10.224 7.402 1.00 0.00 C ATOM 0 H ILE A 33 -1.406 -11.965 7.833 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.533 -9.350 8.193 1.00 0.00 H new ATOM 0 HB ILE A 33 0.215 -11.445 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.612 -9.461 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.970 -8.580 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.090 -10.835 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.517 -11.154 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.988 -9.479 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.154 -9.602 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.860 -10.318 8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.513 -11.212 7.019 1.00 0.00 H new ATOM 549 N GLY A 34 -3.154 -9.591 6.250 1.00 0.00 N ATOM 550 CA GLY A 34 -4.223 -8.823 5.634 1.00 0.00 C ATOM 551 C GLY A 34 -5.070 -8.116 6.694 1.00 0.00 C ATOM 552 O GLY A 34 -5.216 -6.895 6.664 1.00 0.00 O ATOM 0 H GLY A 34 -3.255 -10.603 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.800 -8.087 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.854 -9.483 5.040 1.00 0.00 H new ATOM 556 N LEU A 35 -5.606 -8.914 7.606 1.00 0.00 N ATOM 557 CA LEU A 35 -6.435 -8.379 8.674 1.00 0.00 C ATOM 558 C LEU A 35 -5.735 -7.171 9.300 1.00 0.00 C ATOM 559 O LEU A 35 -6.255 -6.057 9.258 1.00 0.00 O ATOM 560 CB LEU A 35 -6.786 -9.477 9.680 1.00 0.00 C ATOM 561 CG LEU A 35 -8.269 -9.839 9.787 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.063 -8.707 10.442 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.840 -10.224 8.421 1.00 0.00 C ATOM 0 H LEU A 35 -5.483 -9.926 7.628 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.387 -8.026 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.231 -10.377 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.436 -9.166 10.664 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.362 -10.713 10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.114 -8.989 10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.675 -8.523 11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.967 -7.801 9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.895 -10.477 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.734 -9.385 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.298 -11.085 8.030 1.00 0.00 H new ATOM 575 N GLY A 36 -4.567 -7.433 9.867 1.00 0.00 N ATOM 576 CA GLY A 36 -3.791 -6.381 10.502 1.00 0.00 C ATOM 577 C GLY A 36 -3.639 -5.175 9.573 1.00 0.00 C ATOM 578 O GLY A 36 -4.104 -4.081 9.890 1.00 0.00 O ATOM 0 H GLY A 36 -4.139 -8.358 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.278 -6.073 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.806 -6.763 10.772 1.00 0.00 H new ATOM 582 N GLY A 37 -2.987 -5.415 8.445 1.00 0.00 N ATOM 583 CA GLY A 37 -2.768 -4.362 7.468 1.00 0.00 C ATOM 584 C GLY A 37 -4.073 -3.630 7.150 1.00 0.00 C ATOM 585 O GLY A 37 -4.053 -2.492 6.683 1.00 0.00 O ATOM 0 H GLY A 37 -2.603 -6.324 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.033 -3.653 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.354 -4.789 6.554 1.00 0.00 H new ATOM 589 N CYS A 38 -5.177 -4.313 7.416 1.00 0.00 N ATOM 590 CA CYS A 38 -6.489 -3.741 7.163 1.00 0.00 C ATOM 591 C CYS A 38 -6.787 -2.718 8.261 1.00 0.00 C ATOM 592 O CYS A 38 -6.946 -1.531 7.982 1.00 0.00 O ATOM 593 CB CYS A 38 -7.570 -4.821 7.081 1.00 0.00 C ATOM 594 SG CYS A 38 -8.769 -4.407 5.762 1.00 0.00 S ATOM 0 H CYS A 38 -5.190 -5.256 7.804 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.491 -3.243 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.113 -5.790 6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.085 -4.906 8.038 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.681 -5.331 5.699 1.00 0.00 H new ATOM 600 N LEU A 39 -6.853 -3.216 9.487 1.00 0.00 N ATOM 601 CA LEU A 39 -7.129 -2.360 10.629 1.00 0.00 C ATOM 602 C LEU A 39 -6.274 -1.096 10.531 1.00 0.00 C ATOM 603 O LEU A 39 -6.729 -0.006 10.873 1.00 0.00 O ATOM 604 CB LEU A 39 -6.938 -3.132 11.936 1.00 0.00 C ATOM 605 CG LEU A 39 -8.183 -3.823 12.495 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.591 -5.010 11.621 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.975 -4.230 13.955 1.00 0.00 C ATOM 0 H LEU A 39 -6.720 -4.201 9.715 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.171 -2.042 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.167 -3.887 11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.560 -2.442 12.690 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.008 -3.110 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.479 -5.483 12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.809 -4.661 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.776 -5.733 11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.875 -4.719 14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.133 -4.918 14.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.769 -3.343 14.554 1.00 0.00 H new ATOM 619 N VAL A 40 -5.049 -1.283 10.061 1.00 0.00 N ATOM 620 CA VAL A 40 -4.126 -0.170 9.914 1.00 0.00 C ATOM 621 C VAL A 40 -4.635 0.767 8.817 1.00 0.00 C ATOM 622 O VAL A 40 -4.938 1.930 9.081 1.00 0.00 O ATOM 623 CB VAL A 40 -2.714 -0.694 9.644 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.732 0.460 9.434 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.246 -1.615 10.774 1.00 0.00 C ATOM 0 H VAL A 40 -4.674 -2.188 9.777 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.074 0.407 10.837 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.743 -1.280 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.736 0.060 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.051 1.059 8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.708 1.084 10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.240 -1.974 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.240 -1.063 11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.924 -2.464 10.856 1.00 0.00 H new ATOM 635 N VAL A 41 -4.713 0.227 7.610 1.00 0.00 N ATOM 636 CA VAL A 41 -5.180 1.001 6.473 1.00 0.00 C ATOM 637 C VAL A 41 -6.487 1.705 6.843 1.00 0.00 C ATOM 638 O VAL A 41 -6.519 2.927 6.986 1.00 0.00 O ATOM 639 CB VAL A 41 -5.314 0.098 5.245 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.959 0.850 4.079 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.958 -0.483 4.840 1.00 0.00 C ATOM 0 H VAL A 41 -4.461 -0.738 7.395 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.457 1.774 6.214 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.968 -0.733 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.042 0.185 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.952 1.192 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.343 1.709 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.082 -1.121 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.271 0.329 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.554 -1.072 5.664 1.00 0.00 H new ATOM 651 N ALA A 42 -7.533 0.905 6.986 1.00 0.00 N ATOM 652 CA ALA A 42 -8.839 1.437 7.337 1.00 0.00 C ATOM 653 C ALA A 42 -8.672 2.534 8.390 1.00 0.00 C ATOM 654 O ALA A 42 -9.085 3.673 8.175 1.00 0.00 O ATOM 655 CB ALA A 42 -9.741 0.299 7.819 1.00 0.00 C ATOM 0 H ALA A 42 -7.503 -0.107 6.865 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.317 1.886 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.721 0.698 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.851 -0.439 7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.295 -0.174 8.694 1.00 0.00 H new ATOM 661 N ALA A 43 -8.067 2.153 9.505 1.00 0.00 N ATOM 662 CA ALA A 43 -7.841 3.091 10.592 1.00 0.00 C ATOM 663 C ALA A 43 -7.389 4.434 10.015 1.00 0.00 C ATOM 664 O ALA A 43 -8.053 5.451 10.206 1.00 0.00 O ATOM 665 CB ALA A 43 -6.821 2.503 11.569 1.00 0.00 C ATOM 0 H ALA A 43 -7.726 1.208 9.680 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.763 3.265 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.651 3.206 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.202 1.565 11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.882 2.319 11.047 1.00 0.00 H new ATOM 671 N TYR A 44 -6.261 4.394 9.321 1.00 0.00 N ATOM 672 CA TYR A 44 -5.712 5.595 8.715 1.00 0.00 C ATOM 673 C TYR A 44 -6.771 6.324 7.885 1.00 0.00 C ATOM 674 O TYR A 44 -6.990 7.520 8.065 1.00 0.00 O ATOM 675 CB TYR A 44 -4.590 5.124 7.788 1.00 0.00 C ATOM 676 CG TYR A 44 -3.184 5.332 8.356 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.853 6.529 8.958 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.248 4.321 8.268 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.531 6.724 9.493 1.00 0.00 C ATOM 680 CE2 TYR A 44 -0.926 4.517 8.803 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.632 5.708 9.390 1.00 0.00 C ATOM 682 OH TYR A 44 0.617 5.892 9.895 1.00 0.00 O ATOM 0 H TYR A 44 -5.712 3.548 9.165 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.359 6.285 9.482 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.731 4.065 7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.670 5.655 6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.586 7.319 9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.507 3.384 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.259 7.656 9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.184 3.735 8.740 1.00 0.00 H new ATOM 0 HH TYR A 44 1.150 5.083 9.751 1.00 0.00 H new ATOM 692 N ARG A 45 -7.399 5.571 6.994 1.00 0.00 N ATOM 693 CA ARG A 45 -8.430 6.130 6.136 1.00 0.00 C ATOM 694 C ARG A 45 -9.433 6.935 6.966 1.00 0.00 C ATOM 695 O ARG A 45 -9.606 8.133 6.747 1.00 0.00 O ATOM 696 CB ARG A 45 -9.173 5.029 5.378 1.00 0.00 C ATOM 697 CG ARG A 45 -8.250 4.333 4.376 1.00 0.00 C ATOM 698 CD ARG A 45 -8.982 4.043 3.065 1.00 0.00 C ATOM 699 NE ARG A 45 -8.930 5.230 2.182 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.763 5.436 1.141 1.00 0.00 C ATOM 701 NH1 ARG A 45 -10.723 4.535 0.842 1.00 0.00 N ATOM 702 NH2 ARG A 45 -9.626 6.532 0.418 1.00 0.00 N ATOM 0 H ARG A 45 -7.214 4.579 6.848 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.941 6.785 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.566 4.298 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.028 5.457 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.381 4.961 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.880 3.401 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.526 3.188 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.019 3.777 3.269 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.220 5.937 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.823 3.690 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.348 4.699 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.898 7.208 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.248 6.703 -0.372 1.00 0.00 H new ATOM 716 N ILE A 46 -10.067 6.244 7.901 1.00 0.00 N ATOM 717 CA ILE A 46 -11.048 6.879 8.765 1.00 0.00 C ATOM 718 C ILE A 46 -10.425 8.117 9.413 1.00 0.00 C ATOM 719 O ILE A 46 -10.861 9.239 9.162 1.00 0.00 O ATOM 720 CB ILE A 46 -11.606 5.872 9.773 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.271 4.693 9.060 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.555 6.554 10.761 1.00 0.00 C ATOM 723 CD1 ILE A 46 -13.525 5.143 8.308 1.00 0.00 C ATOM 0 H ILE A 46 -9.921 5.250 8.080 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.904 7.220 8.183 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.774 5.470 10.351 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.566 4.242 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.535 3.925 9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.938 5.816 11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.017 7.331 11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.387 7.001 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.978 4.286 7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.238 5.572 9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.254 5.893 7.565 1.00 0.00 H new ATOM 735 N TYR A 47 -9.415 7.870 10.234 1.00 0.00 N ATOM 736 CA TYR A 47 -8.727 8.951 10.920 1.00 0.00 C ATOM 737 C TYR A 47 -8.565 10.166 10.005 1.00 0.00 C ATOM 738 O TYR A 47 -8.748 11.303 10.437 1.00 0.00 O ATOM 739 CB TYR A 47 -7.342 8.409 11.280 1.00 0.00 C ATOM 740 CG TYR A 47 -7.107 8.251 12.783 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.834 7.325 13.502 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.166 9.036 13.420 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.612 7.176 14.917 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.945 8.887 14.835 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.679 7.965 15.514 1.00 0.00 C ATOM 746 OH TYR A 47 -6.469 7.824 16.850 1.00 0.00 O ATOM 0 H TYR A 47 -9.056 6.938 10.440 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.291 9.270 11.796 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.205 7.441 10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.584 9.078 10.873 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.570 6.712 13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.596 9.761 12.857 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.174 6.454 15.491 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.212 9.494 15.346 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.774 8.451 17.140 1.00 0.00 H new ATOM 756 N ARG A 48 -8.223 9.884 8.756 1.00 0.00 N ATOM 757 CA ARG A 48 -8.033 10.940 7.776 1.00 0.00 C ATOM 758 C ARG A 48 -9.367 11.623 7.467 1.00 0.00 C ATOM 759 O ARG A 48 -9.450 12.850 7.446 1.00 0.00 O ATOM 760 CB ARG A 48 -7.439 10.387 6.479 1.00 0.00 C ATOM 761 CG ARG A 48 -7.292 11.490 5.429 1.00 0.00 C ATOM 762 CD ARG A 48 -6.085 11.229 4.525 1.00 0.00 C ATOM 763 NE ARG A 48 -5.561 12.509 3.998 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.923 13.432 4.749 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.724 13.224 6.068 1.00 0.00 N ATOM 766 NH2 ARG A 48 -4.496 14.541 4.174 1.00 0.00 N ATOM 0 H ARG A 48 -8.073 8.940 8.400 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.339 11.665 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.465 9.941 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.078 9.594 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.198 11.545 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.179 12.455 5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.306 10.711 5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.372 10.577 3.700 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.690 12.706 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.057 12.364 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.241 13.927 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.650 14.690 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.012 15.249 4.727 1.00 0.00 H new ATOM 780 N LEU A 49 -10.378 10.799 7.235 1.00 0.00 N ATOM 781 CA LEU A 49 -11.704 11.308 6.928 1.00 0.00 C ATOM 782 C LEU A 49 -12.238 12.085 8.133 1.00 0.00 C ATOM 783 O LEU A 49 -12.348 13.310 8.087 1.00 0.00 O ATOM 784 CB LEU A 49 -12.622 10.172 6.473 1.00 0.00 C ATOM 785 CG LEU A 49 -13.971 10.594 5.887 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.261 9.845 4.585 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.093 10.418 6.912 1.00 0.00 C ATOM 0 H LEU A 49 -10.306 9.782 7.253 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.660 12.006 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.093 9.581 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.807 9.518 7.325 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.921 11.655 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.225 10.163 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.480 10.065 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.285 8.773 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.041 10.725 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.153 9.371 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.885 11.032 7.788 1.00 0.00 H new ATOM 799 N ARG A 50 -12.556 11.342 9.183 1.00 0.00 N ATOM 800 CA ARG A 50 -13.076 11.946 10.398 1.00 0.00 C ATOM 801 C ARG A 50 -12.138 13.054 10.883 1.00 0.00 C ATOM 802 O ARG A 50 -10.973 13.101 10.493 1.00 0.00 O ATOM 803 CB ARG A 50 -13.238 10.904 11.506 1.00 0.00 C ATOM 804 CG ARG A 50 -14.670 10.893 12.044 1.00 0.00 C ATOM 805 CD ARG A 50 -14.686 11.068 13.563 1.00 0.00 C ATOM 806 NE ARG A 50 -16.025 11.517 14.007 1.00 0.00 N ATOM 807 CZ ARG A 50 -16.383 11.669 15.300 1.00 0.00 C ATOM 808 NH1 ARG A 50 -15.502 11.409 16.289 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.606 12.075 15.582 1.00 0.00 N ATOM 0 H ARG A 50 -12.464 10.327 9.217 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.054 12.368 10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.983 9.917 11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.543 11.120 12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.244 11.693 11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.155 9.954 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.430 10.126 14.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.932 11.796 13.861 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.721 11.725 13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.558 11.095 16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.780 11.526 17.263 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.265 12.269 14.828 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.892 12.195 16.554 1.00 0.00 H new ATOM 1045 N ARG A 65 3.994 13.887 6.504 1.00 0.00 N ATOM 1046 CA ARG A 65 4.959 12.802 6.532 1.00 0.00 C ATOM 1047 C ARG A 65 4.250 11.467 6.774 1.00 0.00 C ATOM 1048 O ARG A 65 4.532 10.479 6.099 1.00 0.00 O ATOM 1049 CB ARG A 65 6.004 13.022 7.627 1.00 0.00 C ATOM 1050 CG ARG A 65 5.430 13.858 8.773 1.00 0.00 C ATOM 1051 CD ARG A 65 5.692 15.349 8.550 1.00 0.00 C ATOM 1052 NE ARG A 65 5.121 16.136 9.665 1.00 0.00 N ATOM 1053 CZ ARG A 65 4.992 17.479 9.655 1.00 0.00 C ATOM 1054 NH1 ARG A 65 5.393 18.198 8.585 1.00 0.00 N ATOM 1055 NH2 ARG A 65 4.467 18.080 10.707 1.00 0.00 N ATOM 0 HA ARG A 65 5.462 12.781 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.344 12.059 8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.876 13.524 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.357 13.682 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.877 13.544 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.764 15.531 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.250 15.667 7.606 1.00 0.00 H new ATOM 0 HE ARG A 65 4.805 15.632 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.797 17.726 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.292 19.213 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.166 17.530 11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.363 19.095 10.715 1.00 0.00 H new ATOM 1069 N VAL A 66 3.344 11.482 7.741 1.00 0.00 N ATOM 1070 CA VAL A 66 2.593 10.286 8.080 1.00 0.00 C ATOM 1071 C VAL A 66 1.613 9.966 6.950 1.00 0.00 C ATOM 1072 O VAL A 66 1.533 8.825 6.497 1.00 0.00 O ATOM 1073 CB VAL A 66 1.904 10.467 9.435 1.00 0.00 C ATOM 1074 CG1 VAL A 66 0.641 11.320 9.297 1.00 0.00 C ATOM 1075 CG2 VAL A 66 1.586 9.114 10.073 1.00 0.00 C ATOM 0 H VAL A 66 3.113 12.303 8.300 1.00 0.00 H new ATOM 0 HA VAL A 66 3.262 9.432 8.182 1.00 0.00 H new ATOM 0 HB VAL A 66 2.593 10.994 10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.170 11.434 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.906 12.302 8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.054 10.833 8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.097 9.271 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.924 8.549 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.510 8.556 10.223 1.00 0.00 H new ATOM 1085 N ALA A 67 0.892 10.993 6.526 1.00 0.00 N ATOM 1086 CA ALA A 67 -0.079 10.835 5.457 1.00 0.00 C ATOM 1087 C ALA A 67 0.647 10.454 4.166 1.00 0.00 C ATOM 1088 O ALA A 67 0.172 9.609 3.408 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.891 12.124 5.310 1.00 0.00 C ATOM 0 H ALA A 67 0.961 11.938 6.903 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.779 10.033 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.620 12.006 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.411 12.335 6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.221 12.951 5.073 1.00 0.00 H new ATOM 1095 N ALA A 68 1.788 11.095 3.955 1.00 0.00 N ATOM 1096 CA ALA A 68 2.585 10.833 2.768 1.00 0.00 C ATOM 1097 C ALA A 68 2.986 9.357 2.744 1.00 0.00 C ATOM 1098 O ALA A 68 2.751 8.662 1.757 1.00 0.00 O ATOM 1099 CB ALA A 68 3.797 11.767 2.751 1.00 0.00 C ATOM 0 H ALA A 68 2.179 11.795 4.586 1.00 0.00 H new ATOM 0 HA ALA A 68 2.007 11.032 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.395 11.571 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.458 12.803 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.403 11.593 3.641 1.00 0.00 H new ATOM 1105 N GLN A 69 3.585 8.921 3.843 1.00 0.00 N ATOM 1106 CA GLN A 69 4.021 7.540 3.960 1.00 0.00 C ATOM 1107 C GLN A 69 2.832 6.592 3.796 1.00 0.00 C ATOM 1108 O GLN A 69 2.938 5.568 3.123 1.00 0.00 O ATOM 1109 CB GLN A 69 4.733 7.301 5.293 1.00 0.00 C ATOM 1110 CG GLN A 69 5.759 6.173 5.172 1.00 0.00 C ATOM 1111 CD GLN A 69 7.165 6.671 5.513 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.641 7.668 4.995 1.00 0.00 O ATOM 1113 NE2 GLN A 69 7.801 5.924 6.411 1.00 0.00 N ATOM 0 H GLN A 69 3.778 9.500 4.660 1.00 0.00 H new ATOM 0 HA GLN A 69 4.735 7.336 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.230 8.217 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.001 7.051 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.487 5.356 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.747 5.773 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.345 5.102 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.745 6.174 6.705 1.00 0.00 H new ATOM 1122 N ALA A 70 1.726 6.967 4.422 1.00 0.00 N ATOM 1123 CA ALA A 70 0.518 6.163 4.354 1.00 0.00 C ATOM 1124 C ALA A 70 0.002 6.147 2.914 1.00 0.00 C ATOM 1125 O ALA A 70 -0.666 5.200 2.500 1.00 0.00 O ATOM 1126 CB ALA A 70 -0.517 6.712 5.338 1.00 0.00 C ATOM 0 H ALA A 70 1.641 7.817 4.979 1.00 0.00 H new ATOM 0 HA ALA A 70 0.726 5.132 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.423 6.109 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.113 6.675 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.753 7.744 5.079 1.00 0.00 H new ATOM 1132 N CYS A 71 0.331 7.206 2.189 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.091 7.325 0.804 1.00 0.00 C ATOM 1134 C CYS A 71 0.682 6.297 -0.024 1.00 0.00 C ATOM 1135 O CYS A 71 0.083 5.475 -0.716 1.00 0.00 O ATOM 1136 CB CYS A 71 0.104 8.747 0.274 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.225 9.159 -0.916 1.00 0.00 S ATOM 0 H CYS A 71 0.885 7.989 2.535 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.159 7.122 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.096 9.457 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.077 8.833 -0.210 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.052 10.369 -1.358 1.00 0.00 H new ATOM 1143 N ALA A 72 2.001 6.376 0.074 1.00 0.00 N ATOM 1144 CA ALA A 72 2.862 5.463 -0.658 1.00 0.00 C ATOM 1145 C ALA A 72 2.597 4.031 -0.186 1.00 0.00 C ATOM 1146 O ALA A 72 2.116 3.200 -0.955 1.00 0.00 O ATOM 1147 CB ALA A 72 4.323 5.877 -0.470 1.00 0.00 C ATOM 0 H ALA A 72 2.494 7.058 0.649 1.00 0.00 H new ATOM 0 HA ALA A 72 2.646 5.505 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.969 5.192 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.465 6.890 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.577 5.844 0.589 1.00 0.00 H new ATOM 1153 N VAL A 73 2.921 3.788 1.075 1.00 0.00 N ATOM 1154 CA VAL A 73 2.723 2.471 1.658 1.00 0.00 C ATOM 1155 C VAL A 73 1.292 2.006 1.383 1.00 0.00 C ATOM 1156 O VAL A 73 1.081 0.995 0.716 1.00 0.00 O ATOM 1157 CB VAL A 73 3.066 2.502 3.148 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.697 1.180 3.823 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.544 2.835 3.364 1.00 0.00 C ATOM 0 H VAL A 73 3.319 4.480 1.710 1.00 0.00 H new ATOM 0 HA VAL A 73 3.394 1.745 1.199 1.00 0.00 H new ATOM 0 HB VAL A 73 2.474 3.291 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.951 1.229 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.627 1.002 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.249 0.366 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.761 2.851 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.162 2.079 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.763 3.813 2.935 1.00 0.00 H new ATOM 1169 N GLY A 74 0.345 2.768 1.911 1.00 0.00 N ATOM 1170 CA GLY A 74 -1.061 2.446 1.731 1.00 0.00 C ATOM 1171 C GLY A 74 -1.347 2.027 0.288 1.00 0.00 C ATOM 1172 O GLY A 74 -1.869 0.940 0.045 1.00 0.00 O ATOM 0 H GLY A 74 0.523 3.607 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.343 1.641 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.672 3.311 1.990 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.993 2.912 -0.633 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.206 2.648 -2.046 1.00 0.00 C ATOM 1178 C ALA A 75 -0.693 1.246 -2.380 1.00 0.00 C ATOM 1179 O ALA A 75 -1.479 0.344 -2.664 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.520 3.734 -2.877 1.00 0.00 C ATOM 0 H ALA A 75 -0.560 3.813 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.269 2.676 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.680 3.536 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.940 4.707 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.549 3.734 -2.665 1.00 0.00 H new ATOM 1186 N ILE A 76 0.624 1.106 -2.336 1.00 0.00 N ATOM 1187 CA ILE A 76 1.252 -0.171 -2.631 1.00 0.00 C ATOM 1188 C ILE A 76 0.430 -1.296 -2.000 1.00 0.00 C ATOM 1189 O ILE A 76 -0.203 -2.079 -2.707 1.00 0.00 O ATOM 1190 CB ILE A 76 2.718 -0.161 -2.194 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.525 0.855 -3.006 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.322 -1.564 -2.269 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.675 1.430 -2.176 1.00 0.00 C ATOM 0 H ILE A 76 1.274 1.856 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 76 1.265 -0.350 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 76 2.762 0.153 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.922 0.377 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.872 1.662 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.365 -1.529 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.767 -2.235 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.266 -1.930 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.233 2.149 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.273 1.928 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.339 0.623 -1.867 1.00 0.00 H new ATOM 1205 N MET A 77 0.466 -1.342 -0.676 1.00 0.00 N ATOM 1206 CA MET A 77 -0.268 -2.358 0.058 1.00 0.00 C ATOM 1207 C MET A 77 -1.647 -2.594 -0.561 1.00 0.00 C ATOM 1208 O MET A 77 -2.127 -3.725 -0.604 1.00 0.00 O ATOM 1209 CB MET A 77 -0.430 -1.919 1.515 1.00 0.00 C ATOM 1210 CG MET A 77 -0.645 -3.126 2.430 1.00 0.00 C ATOM 1211 SD MET A 77 0.654 -3.204 3.652 1.00 0.00 S ATOM 1212 CE MET A 77 1.452 -4.722 3.159 1.00 0.00 C ATOM 0 H MET A 77 0.992 -0.691 -0.093 1.00 0.00 H new ATOM 0 HA MET A 77 0.294 -3.290 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.456 -1.370 1.834 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.276 -1.237 1.601 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.615 -3.052 2.922 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.656 -4.043 1.840 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.293 -4.923 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.739 -5.544 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.813 -4.627 2.135 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.245 -1.506 -1.026 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.559 -1.580 -1.640 1.00 0.00 C ATOM 1224 C LEU A 78 -3.477 -2.429 -2.910 1.00 0.00 C ATOM 1225 O LEU A 78 -4.005 -3.539 -2.955 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.121 -0.176 -1.875 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.504 0.100 -1.282 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.507 1.404 -0.482 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.579 0.094 -2.371 1.00 0.00 C ATOM 0 H LEU A 78 -1.843 -0.569 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.264 -2.073 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.419 0.549 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.166 0.001 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.744 -0.705 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.502 1.577 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.786 1.333 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.236 2.233 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.552 0.293 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.355 0.865 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.597 -0.880 -2.859 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.809 -1.875 -3.912 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.651 -2.568 -5.179 1.00 0.00 C ATOM 1243 C GLY A 79 -2.442 -4.068 -4.962 1.00 0.00 C ATOM 1244 O GLY A 79 -3.105 -4.889 -5.594 1.00 0.00 O ATOM 0 H GLY A 79 -2.371 -0.955 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.533 -2.406 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.801 -2.153 -5.721 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.518 -4.381 -4.065 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.213 -5.767 -3.756 1.00 0.00 C ATOM 1250 C ALA A 80 -2.467 -6.450 -3.205 1.00 0.00 C ATOM 1251 O ALA A 80 -3.037 -7.327 -3.853 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.039 -5.827 -2.778 1.00 0.00 C ATOM 0 H ALA A 80 -0.970 -3.697 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.914 -6.303 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.189 -6.867 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.834 -5.356 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.302 -5.301 -1.861 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.860 -6.021 -2.014 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.035 -6.580 -1.368 1.00 0.00 C ATOM 1260 C VAL A 81 -5.138 -6.780 -2.410 1.00 0.00 C ATOM 1261 O VAL A 81 -5.475 -7.912 -2.753 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.468 -5.686 -0.204 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.926 -5.947 0.175 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.545 -5.872 1.002 1.00 0.00 C ATOM 0 H VAL A 81 -2.385 -5.293 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.808 -7.558 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.388 -4.649 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.208 -5.299 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.567 -5.740 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.044 -6.989 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.874 -5.225 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.578 -6.911 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.524 -5.612 0.722 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.669 -5.663 -2.885 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.726 -5.701 -3.881 1.00 0.00 C ATOM 1276 C TYR A 82 -6.488 -6.826 -4.890 1.00 0.00 C ATOM 1277 O TYR A 82 -7.348 -7.685 -5.082 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.667 -4.358 -4.610 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.937 -3.516 -4.468 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.310 -3.034 -3.230 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.709 -3.239 -5.578 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.505 -2.242 -3.096 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.904 -2.447 -5.444 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.243 -1.988 -4.210 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.372 -1.240 -4.083 1.00 0.00 O ATOM 0 H TYR A 82 -5.387 -4.726 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.692 -5.878 -3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.820 -3.787 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.480 -4.539 -5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.706 -3.251 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.417 -3.616 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.808 -1.858 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.517 -2.223 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.797 -1.138 -4.960 1.00 0.00 H new ATOM 1295 N THR A 83 -5.317 -6.786 -5.509 1.00 0.00 N ATOM 1296 CA THR A 83 -4.956 -7.792 -6.493 1.00 0.00 C ATOM 1297 C THR A 83 -5.208 -9.195 -5.939 1.00 0.00 C ATOM 1298 O THR A 83 -5.719 -10.063 -6.645 1.00 0.00 O ATOM 1299 CB THR A 83 -3.501 -7.552 -6.902 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.520 -6.264 -7.512 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.046 -8.488 -8.022 1.00 0.00 C ATOM 0 H THR A 83 -4.606 -6.072 -5.348 1.00 0.00 H new ATOM 0 HA THR A 83 -5.577 -7.713 -7.385 1.00 0.00 H new ATOM 0 HB THR A 83 -2.854 -7.683 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.074 -5.618 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.007 -8.276 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.135 -9.522 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.671 -8.334 -8.901 1.00 0.00 H new ATOM 1309 N MET A 84 -4.837 -9.375 -4.680 1.00 0.00 N ATOM 1310 CA MET A 84 -5.016 -10.658 -4.023 1.00 0.00 C ATOM 1311 C MET A 84 -6.491 -10.911 -3.706 1.00 0.00 C ATOM 1312 O MET A 84 -7.117 -11.787 -4.301 1.00 0.00 O ATOM 1313 CB MET A 84 -4.204 -10.686 -2.726 1.00 0.00 C ATOM 1314 CG MET A 84 -3.016 -11.644 -2.844 1.00 0.00 C ATOM 1315 SD MET A 84 -1.608 -10.788 -3.530 1.00 0.00 S ATOM 1316 CE MET A 84 -1.789 -11.224 -5.252 1.00 0.00 C ATOM 0 H MET A 84 -4.413 -8.653 -4.097 1.00 0.00 H new ATOM 0 HA MET A 84 -4.669 -11.441 -4.697 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.845 -9.683 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.844 -10.994 -1.899 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.764 -12.047 -1.863 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.282 -12.490 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.896 -10.922 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.922 -12.302 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 84 -2.659 -10.715 -5.667 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.005 -10.127 -2.769 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.395 -10.255 -2.366 1.00 0.00 C ATOM 1328 C TYR A 85 -9.288 -10.570 -3.568 1.00 0.00 C ATOM 1329 O TYR A 85 -10.119 -11.475 -3.509 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.795 -8.894 -1.792 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.304 -8.645 -1.775 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -11.135 -9.489 -1.067 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.835 -7.576 -2.469 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -12.556 -9.254 -1.051 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.256 -7.341 -2.453 1.00 0.00 C ATOM 1336 CZ TYR A 85 -13.046 -8.192 -1.745 1.00 0.00 C ATOM 1337 OH TYR A 85 -14.388 -7.970 -1.730 1.00 0.00 O ATOM 0 H TYR A 85 -6.484 -9.401 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.512 -11.064 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.412 -8.814 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.314 -8.109 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.720 -10.326 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.185 -6.916 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.217 -9.906 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.684 -6.508 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.594 -7.177 -2.267 1.00 0.00 H new ATOM 1347 N SER A 86 -9.086 -9.806 -4.631 1.00 0.00 N ATOM 1348 CA SER A 86 -9.862 -9.992 -5.846 1.00 0.00 C ATOM 1349 C SER A 86 -9.471 -11.309 -6.519 1.00 0.00 C ATOM 1350 O SER A 86 -10.325 -12.158 -6.773 1.00 0.00 O ATOM 1351 CB SER A 86 -9.662 -8.822 -6.812 1.00 0.00 C ATOM 1352 OG SER A 86 -10.898 -8.346 -7.336 1.00 0.00 O ATOM 0 H SER A 86 -8.396 -9.056 -4.677 1.00 0.00 H new ATOM 0 HA SER A 86 -10.917 -10.028 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.150 -8.010 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.017 -9.136 -7.633 1.00 0.00 H new ATOM 0 HG SER A 86 -10.728 -7.599 -7.947 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.181 -11.439 -6.790 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.667 -12.639 -7.429 1.00 0.00 C ATOM 1360 C ASP A 87 -8.345 -13.867 -6.818 1.00 0.00 C ATOM 1361 O ASP A 87 -8.493 -14.892 -7.481 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.159 -12.775 -7.213 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.558 -14.107 -7.667 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.003 -14.703 -8.660 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.579 -14.538 -6.946 1.00 0.00 O ATOM 0 H ASP A 87 -7.476 -10.733 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.873 -12.567 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.657 -11.967 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.945 -12.640 -6.153 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.739 -13.722 -5.562 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.398 -14.807 -4.854 1.00 0.00 C ATOM 1372 C TYR A 88 -10.317 -15.594 -5.791 1.00 0.00 C ATOM 1373 O TYR A 88 -10.400 -16.818 -5.701 1.00 0.00 O ATOM 1374 CB TYR A 88 -10.244 -14.147 -3.764 1.00 0.00 C ATOM 1375 CG TYR A 88 -11.052 -15.135 -2.920 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.440 -15.828 -1.895 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -12.392 -15.332 -3.183 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -11.201 -16.758 -1.101 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -13.153 -16.262 -2.388 1.00 0.00 C ATOM 1380 CZ TYR A 88 -12.519 -16.929 -1.387 1.00 0.00 C ATOM 1381 OH TYR A 88 -13.237 -17.807 -0.636 1.00 0.00 O ATOM 0 H TYR A 88 -8.615 -12.870 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.664 -15.503 -4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.589 -13.574 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.928 -13.438 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.391 -15.673 -1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.870 -14.789 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.735 -17.307 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.203 -16.426 -2.583 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.164 -17.826 -0.952 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.985 -14.859 -6.668 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.895 -15.472 -7.620 1.00 0.00 C ATOM 1393 C VAL A 89 -11.269 -16.759 -8.160 1.00 0.00 C ATOM 1394 O VAL A 89 -11.576 -17.851 -7.684 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.252 -14.472 -8.721 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.051 -13.592 -9.073 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.787 -15.191 -9.961 1.00 0.00 C ATOM 0 H VAL A 89 -10.914 -13.844 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.831 -15.745 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.042 -13.824 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.332 -12.890 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.733 -13.039 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.231 -14.219 -9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.033 -14.458 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.027 -15.874 -10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.682 -15.755 -9.697 1.00 0.00 H new