USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 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 -96:sc= 1.11 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 87:sc= -0.0852 USER MOD Single : A 44 TYR OH : rot 60:sc= -0.588 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00693 X(o=-0.0069,f=0) 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 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) 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 5.732 -2.998 -9.680 1.00 0.00 N ATOM 245 CA CYS A 16 4.686 -3.875 -9.183 1.00 0.00 C ATOM 246 C CYS A 16 5.211 -4.591 -7.937 1.00 0.00 C ATOM 247 O CYS A 16 4.679 -4.409 -6.843 1.00 0.00 O ATOM 248 CB CYS A 16 4.220 -4.863 -10.255 1.00 0.00 C ATOM 249 SG CYS A 16 2.527 -4.439 -10.804 1.00 0.00 S ATOM 0 HA CYS A 16 3.808 -3.285 -8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.903 -4.840 -11.104 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.239 -5.878 -9.858 1.00 0.00 H new ATOM 0 HG CYS A 16 2.142 -5.282 -11.715 1.00 0.00 H new ATOM 255 N VAL A 17 6.248 -5.388 -8.144 1.00 0.00 N ATOM 256 CA VAL A 17 6.850 -6.132 -7.050 1.00 0.00 C ATOM 257 C VAL A 17 8.274 -6.538 -7.438 1.00 0.00 C ATOM 258 O VAL A 17 9.206 -6.372 -6.653 1.00 0.00 O ATOM 259 CB VAL A 17 5.968 -7.326 -6.681 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.006 -6.967 -5.547 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.206 -7.844 -7.903 1.00 0.00 C ATOM 0 H VAL A 17 6.687 -5.535 -9.053 1.00 0.00 H new ATOM 0 HA VAL A 17 6.921 -5.509 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 17 6.618 -8.126 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.391 -7.833 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.576 -6.669 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.365 -6.143 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.587 -8.693 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.572 -7.051 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.916 -8.158 -8.668 1.00 0.00 H new ATOM 271 N SER A 18 8.396 -7.061 -8.649 1.00 0.00 N ATOM 272 CA SER A 18 9.690 -7.491 -9.151 1.00 0.00 C ATOM 273 C SER A 18 10.278 -8.563 -8.231 1.00 0.00 C ATOM 274 O SER A 18 9.733 -8.835 -7.162 1.00 0.00 O ATOM 275 CB SER A 18 10.655 -6.310 -9.273 1.00 0.00 C ATOM 276 OG SER A 18 10.795 -5.872 -10.622 1.00 0.00 O ATOM 0 H SER A 18 7.620 -7.197 -9.297 1.00 0.00 H new ATOM 0 HA SER A 18 9.547 -7.912 -10.146 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.296 -5.484 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.631 -6.597 -8.882 1.00 0.00 H new ATOM 0 HG SER A 18 11.418 -5.116 -10.658 1.00 0.00 H new ATOM 282 N GLU A 19 11.382 -9.143 -8.680 1.00 0.00 N ATOM 283 CA GLU A 19 12.049 -10.179 -7.910 1.00 0.00 C ATOM 284 C GLU A 19 12.320 -9.690 -6.486 1.00 0.00 C ATOM 285 O GLU A 19 12.384 -10.490 -5.553 1.00 0.00 O ATOM 286 CB GLU A 19 13.344 -10.621 -8.594 1.00 0.00 C ATOM 287 CG GLU A 19 13.500 -12.142 -8.541 1.00 0.00 C ATOM 288 CD GLU A 19 14.964 -12.537 -8.336 1.00 0.00 C ATOM 289 OE1 GLU A 19 15.358 -12.552 -7.108 1.00 0.00 O ATOM 290 OE2 GLU A 19 15.675 -12.810 -9.315 1.00 0.00 O ATOM 0 H GLU A 19 11.831 -8.915 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 19 11.391 -11.046 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.343 -10.288 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.197 -10.147 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.894 -12.545 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.127 -12.582 -9.466 1.00 0.00 H new ATOM 297 N LYS A 20 12.472 -8.380 -6.362 1.00 0.00 N ATOM 298 CA LYS A 20 12.735 -7.775 -5.067 1.00 0.00 C ATOM 299 C LYS A 20 11.641 -8.194 -4.083 1.00 0.00 C ATOM 300 O LYS A 20 11.928 -8.803 -3.053 1.00 0.00 O ATOM 301 CB LYS A 20 12.892 -6.260 -5.205 1.00 0.00 C ATOM 302 CG LYS A 20 13.494 -5.653 -3.937 1.00 0.00 C ATOM 303 CD LYS A 20 13.335 -4.131 -3.928 1.00 0.00 C ATOM 304 CE LYS A 20 12.490 -3.675 -2.737 1.00 0.00 C ATOM 305 NZ LYS A 20 11.945 -2.320 -2.978 1.00 0.00 N ATOM 0 H LYS A 20 12.418 -7.720 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 20 13.682 -8.134 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.530 -6.033 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.921 -5.807 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.007 -6.078 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.551 -5.912 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.317 -3.660 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.867 -3.805 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.673 -4.378 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.097 -3.674 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.374 -2.025 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.729 -1.650 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.349 -2.332 -3.830 1.00 0.00 H new ATOM 319 N LEU A 21 10.411 -7.850 -4.434 1.00 0.00 N ATOM 320 CA LEU A 21 9.273 -8.182 -3.594 1.00 0.00 C ATOM 321 C LEU A 21 9.047 -9.695 -3.623 1.00 0.00 C ATOM 322 O LEU A 21 8.791 -10.308 -2.588 1.00 0.00 O ATOM 323 CB LEU A 21 8.045 -7.369 -4.010 1.00 0.00 C ATOM 324 CG LEU A 21 7.991 -5.928 -3.500 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.639 -5.885 -2.012 1.00 0.00 C ATOM 326 CD2 LEU A 21 9.297 -5.190 -3.802 1.00 0.00 C ATOM 0 H LEU A 21 10.177 -7.345 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 21 9.472 -7.909 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.998 -7.350 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.153 -7.890 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 21 7.196 -5.407 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.607 -4.849 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.664 -6.347 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.394 -6.428 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.232 -4.168 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.126 -5.702 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.465 -5.173 -4.879 1.00 0.00 H new ATOM 338 N LEU A 22 9.151 -10.254 -4.820 1.00 0.00 N ATOM 339 CA LEU A 22 8.962 -11.684 -4.997 1.00 0.00 C ATOM 340 C LEU A 22 9.669 -12.432 -3.864 1.00 0.00 C ATOM 341 O LEU A 22 9.119 -13.379 -3.304 1.00 0.00 O ATOM 342 CB LEU A 22 9.413 -12.115 -6.394 1.00 0.00 C ATOM 343 CG LEU A 22 8.458 -13.038 -7.152 1.00 0.00 C ATOM 344 CD1 LEU A 22 8.089 -14.259 -6.307 1.00 0.00 C ATOM 345 CD2 LEU A 22 7.220 -12.275 -7.628 1.00 0.00 C ATOM 0 H LEU A 22 9.364 -9.743 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 22 7.904 -11.939 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.574 -11.220 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.377 -12.616 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 22 8.971 -13.405 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.409 -14.899 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.992 -14.817 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.603 -13.932 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.558 -12.955 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.695 -11.860 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.524 -11.466 -8.292 1.00 0.00 H new ATOM 357 N ARG A 23 10.876 -11.978 -3.561 1.00 0.00 N ATOM 358 CA ARG A 23 11.663 -12.592 -2.506 1.00 0.00 C ATOM 359 C ARG A 23 11.197 -12.092 -1.137 1.00 0.00 C ATOM 360 O ARG A 23 10.847 -12.889 -0.267 1.00 0.00 O ATOM 361 CB ARG A 23 13.151 -12.280 -2.675 1.00 0.00 C ATOM 362 CG ARG A 23 13.979 -12.935 -1.568 1.00 0.00 C ATOM 363 CD ARG A 23 14.691 -11.880 -0.719 1.00 0.00 C ATOM 364 NE ARG A 23 15.895 -11.390 -1.425 1.00 0.00 N ATOM 365 CZ ARG A 23 16.918 -10.748 -0.821 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.891 -10.514 0.508 1.00 0.00 N ATOM 367 NH2 ARG A 23 17.946 -10.354 -1.550 1.00 0.00 N ATOM 0 H ARG A 23 11.328 -11.192 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 23 11.520 -13.671 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.492 -12.635 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.304 -11.201 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.331 -13.540 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.714 -13.609 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.016 -11.049 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.972 -12.306 0.244 1.00 0.00 H new ATOM 0 HE ARG A 23 15.956 -11.547 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.094 -10.823 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.668 -10.028 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.959 -10.536 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.727 -9.868 -1.110 1.00 0.00 H new ATOM 381 N LYS A 24 11.208 -10.776 -0.988 1.00 0.00 N ATOM 382 CA LYS A 24 10.791 -10.160 0.261 1.00 0.00 C ATOM 383 C LYS A 24 9.565 -10.898 0.804 1.00 0.00 C ATOM 384 O LYS A 24 9.625 -11.506 1.871 1.00 0.00 O ATOM 385 CB LYS A 24 10.570 -8.658 0.070 1.00 0.00 C ATOM 386 CG LYS A 24 11.244 -7.859 1.188 1.00 0.00 C ATOM 387 CD LYS A 24 11.327 -6.374 0.826 1.00 0.00 C ATOM 388 CE LYS A 24 10.357 -5.549 1.675 1.00 0.00 C ATOM 389 NZ LYS A 24 10.807 -4.141 1.753 1.00 0.00 N ATOM 0 H LYS A 24 11.499 -10.118 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 24 11.576 -10.250 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.969 -8.348 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.502 -8.443 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.684 -7.980 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.246 -8.250 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.345 -6.015 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.096 -6.240 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.357 -5.594 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.291 -5.972 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.138 -3.594 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.752 -4.102 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.847 -3.736 0.796 1.00 0.00 H new ATOM 403 N THR A 25 8.483 -10.819 0.044 1.00 0.00 N ATOM 404 CA THR A 25 7.245 -11.472 0.435 1.00 0.00 C ATOM 405 C THR A 25 7.538 -12.832 1.073 1.00 0.00 C ATOM 406 O THR A 25 7.904 -13.780 0.381 1.00 0.00 O ATOM 407 CB THR A 25 6.347 -11.562 -0.800 1.00 0.00 C ATOM 408 OG1 THR A 25 7.202 -12.080 -1.815 1.00 0.00 O ATOM 409 CG2 THR A 25 5.936 -10.185 -1.326 1.00 0.00 C ATOM 0 H THR A 25 8.438 -10.313 -0.840 1.00 0.00 H new ATOM 0 HA THR A 25 6.718 -10.897 1.197 1.00 0.00 H new ATOM 0 HB THR A 25 5.455 -12.140 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.561 -11.341 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.300 -10.305 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.389 -9.648 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.827 -9.619 -1.599 1.00 0.00 H new ATOM 417 N ARG A 26 7.365 -12.882 2.386 1.00 0.00 N ATOM 418 CA ARG A 26 7.606 -14.110 3.125 1.00 0.00 C ATOM 419 C ARG A 26 6.689 -15.224 2.618 1.00 0.00 C ATOM 420 O ARG A 26 5.984 -15.049 1.625 1.00 0.00 O ATOM 421 CB ARG A 26 7.369 -13.906 4.623 1.00 0.00 C ATOM 422 CG ARG A 26 8.681 -13.600 5.349 1.00 0.00 C ATOM 423 CD ARG A 26 8.447 -12.650 6.526 1.00 0.00 C ATOM 424 NE ARG A 26 9.739 -12.104 7.000 1.00 0.00 N ATOM 425 CZ ARG A 26 9.853 -11.092 7.885 1.00 0.00 C ATOM 426 NH1 ARG A 26 8.752 -10.505 8.401 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.058 -10.684 8.239 1.00 0.00 N ATOM 0 H ARG A 26 7.061 -12.093 2.956 1.00 0.00 H new ATOM 0 HA ARG A 26 8.647 -14.393 2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.665 -13.088 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.914 -14.801 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.127 -14.527 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.391 -13.154 4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.788 -11.836 6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.947 -13.179 7.337 1.00 0.00 H new ATOM 0 HE ARG A 26 10.596 -12.519 6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.825 -10.826 8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.847 -9.741 9.070 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.885 -11.133 7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.162 -9.920 8.907 1.00 0.00 H new ATOM 441 N GLU A 27 6.728 -16.346 3.322 1.00 0.00 N ATOM 442 CA GLU A 27 5.909 -17.489 2.955 1.00 0.00 C ATOM 443 C GLU A 27 4.796 -17.696 3.983 1.00 0.00 C ATOM 444 O GLU A 27 4.505 -18.827 4.369 1.00 0.00 O ATOM 445 CB GLU A 27 6.762 -18.750 2.808 1.00 0.00 C ATOM 446 CG GLU A 27 7.172 -18.969 1.350 1.00 0.00 C ATOM 447 CD GLU A 27 8.113 -20.168 1.219 1.00 0.00 C ATOM 448 OE1 GLU A 27 7.938 -21.174 1.923 1.00 0.00 O ATOM 449 OE2 GLU A 27 9.054 -20.030 0.348 1.00 0.00 O ATOM 0 H GLU A 27 7.314 -16.488 4.145 1.00 0.00 H new ATOM 0 HA GLU A 27 5.450 -17.287 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.652 -18.665 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.203 -19.615 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.284 -19.131 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.663 -18.074 0.968 1.00 0.00 H new ATOM 456 N SER A 28 4.203 -16.586 4.399 1.00 0.00 N ATOM 457 CA SER A 28 3.128 -16.632 5.375 1.00 0.00 C ATOM 458 C SER A 28 1.799 -16.276 4.707 1.00 0.00 C ATOM 459 O SER A 28 1.775 -15.844 3.555 1.00 0.00 O ATOM 460 CB SER A 28 3.405 -15.684 6.544 1.00 0.00 C ATOM 461 OG SER A 28 2.696 -14.455 6.414 1.00 0.00 O ATOM 0 H SER A 28 4.447 -15.649 4.078 1.00 0.00 H new ATOM 0 HA SER A 28 3.068 -17.646 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.122 -16.169 7.479 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.474 -15.481 6.601 1.00 0.00 H new ATOM 0 HG SER A 28 2.898 -13.878 7.180 1.00 0.00 H new ATOM 467 N PRO A 29 0.696 -16.476 5.478 1.00 0.00 N ATOM 468 CA PRO A 29 -0.634 -16.181 4.972 1.00 0.00 C ATOM 469 C PRO A 29 -0.886 -14.673 4.941 1.00 0.00 C ATOM 470 O PRO A 29 -0.228 -13.915 5.651 1.00 0.00 O ATOM 471 CB PRO A 29 -1.581 -16.923 5.901 1.00 0.00 C ATOM 472 CG PRO A 29 -0.781 -17.223 7.159 1.00 0.00 C ATOM 473 CD PRO A 29 0.687 -16.986 6.845 1.00 0.00 C ATOM 0 HA PRO A 29 -0.774 -16.505 3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.457 -16.317 6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.941 -17.842 5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.104 -16.582 7.979 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.942 -18.253 7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.129 -16.270 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.263 -17.907 6.928 1.00 0.00 H new ATOM 481 N LEU A 30 -1.842 -14.282 4.111 1.00 0.00 N ATOM 482 CA LEU A 30 -2.190 -12.878 3.978 1.00 0.00 C ATOM 483 C LEU A 30 -3.439 -12.585 4.812 1.00 0.00 C ATOM 484 O LEU A 30 -3.713 -11.432 5.143 1.00 0.00 O ATOM 485 CB LEU A 30 -2.333 -12.498 2.502 1.00 0.00 C ATOM 486 CG LEU A 30 -3.733 -12.650 1.904 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.221 -14.096 2.009 1.00 0.00 C ATOM 488 CD2 LEU A 30 -4.713 -11.666 2.545 1.00 0.00 C ATOM 0 H LEU A 30 -2.387 -14.914 3.524 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.390 -12.249 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.019 -11.461 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.643 -13.110 1.921 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.679 -12.405 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.218 -14.176 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.538 -14.751 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.255 -14.393 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.700 -11.795 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.769 -11.855 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.369 -10.646 2.373 1.00 0.00 H new ATOM 500 N VAL A 31 -4.164 -13.649 5.127 1.00 0.00 N ATOM 501 CA VAL A 31 -5.377 -13.520 5.916 1.00 0.00 C ATOM 502 C VAL A 31 -5.079 -12.700 7.173 1.00 0.00 C ATOM 503 O VAL A 31 -5.777 -11.731 7.466 1.00 0.00 O ATOM 504 CB VAL A 31 -5.948 -14.905 6.227 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.394 -14.999 7.688 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.098 -15.250 5.280 1.00 0.00 C ATOM 0 H VAL A 31 -3.934 -14.603 4.850 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.143 -12.986 5.354 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.155 -15.636 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.796 -15.993 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.540 -14.818 8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.164 -14.252 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.485 -16.239 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.893 -14.512 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.737 -15.245 4.252 1.00 0.00 H new ATOM 516 N PRO A 32 -4.013 -13.131 7.901 1.00 0.00 N ATOM 517 CA PRO A 32 -3.614 -12.447 9.119 1.00 0.00 C ATOM 518 C PRO A 32 -2.908 -11.128 8.801 1.00 0.00 C ATOM 519 O PRO A 32 -3.443 -10.053 9.069 1.00 0.00 O ATOM 520 CB PRO A 32 -2.722 -13.437 9.851 1.00 0.00 C ATOM 521 CG PRO A 32 -2.280 -14.450 8.808 1.00 0.00 C ATOM 522 CD PRO A 32 -3.164 -14.275 7.584 1.00 0.00 C ATOM 0 HA PRO A 32 -4.464 -12.162 9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.863 -12.934 10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.262 -13.923 10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.233 -14.297 8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.367 -15.464 9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.569 -14.091 6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.758 -15.169 7.394 1.00 0.00 H new ATOM 530 N ILE A 33 -1.717 -11.252 8.235 1.00 0.00 N ATOM 531 CA ILE A 33 -0.932 -10.082 7.878 1.00 0.00 C ATOM 532 C ILE A 33 -1.849 -9.030 7.252 1.00 0.00 C ATOM 533 O ILE A 33 -1.737 -7.844 7.557 1.00 0.00 O ATOM 534 CB ILE A 33 0.247 -10.480 6.987 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.322 -11.210 7.794 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.811 -9.264 6.249 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.078 -10.241 8.705 1.00 0.00 C ATOM 0 H ILE A 33 -1.276 -12.145 8.015 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.492 -9.632 8.768 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.116 -11.176 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.861 -11.994 8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.022 -11.698 7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.648 -9.574 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.033 -8.825 5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.154 -8.526 6.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.836 -10.786 9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.558 -9.472 8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.379 -9.773 9.398 1.00 0.00 H new ATOM 549 N GLY A 34 -2.735 -9.502 6.387 1.00 0.00 N ATOM 550 CA GLY A 34 -3.671 -8.617 5.716 1.00 0.00 C ATOM 551 C GLY A 34 -4.701 -8.059 6.700 1.00 0.00 C ATOM 552 O GLY A 34 -5.015 -6.870 6.668 1.00 0.00 O ATOM 0 H GLY A 34 -2.824 -10.487 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.128 -7.796 5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.181 -9.158 4.919 1.00 0.00 H new ATOM 556 N LEU A 35 -5.198 -8.944 7.551 1.00 0.00 N ATOM 557 CA LEU A 35 -6.186 -8.555 8.543 1.00 0.00 C ATOM 558 C LEU A 35 -5.650 -7.373 9.354 1.00 0.00 C ATOM 559 O LEU A 35 -6.289 -6.325 9.427 1.00 0.00 O ATOM 560 CB LEU A 35 -6.588 -9.757 9.400 1.00 0.00 C ATOM 561 CG LEU A 35 -7.511 -9.459 10.583 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.910 -10.031 10.345 1.00 0.00 C ATOM 563 CD2 LEU A 35 -6.902 -9.961 11.894 1.00 0.00 C ATOM 0 H LEU A 35 -4.935 -9.929 7.574 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.102 -8.220 8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.078 -10.488 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.681 -10.226 9.782 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.616 -8.378 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.546 -9.805 11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.338 -9.585 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.844 -11.111 10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.578 -9.736 12.719 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.747 -11.038 11.834 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.946 -9.466 12.064 1.00 0.00 H new ATOM 575 N GLY A 36 -4.482 -7.583 9.944 1.00 0.00 N ATOM 576 CA GLY A 36 -3.853 -6.548 10.747 1.00 0.00 C ATOM 577 C GLY A 36 -3.632 -5.275 9.927 1.00 0.00 C ATOM 578 O GLY A 36 -4.180 -4.222 10.248 1.00 0.00 O ATOM 0 H GLY A 36 -3.955 -8.454 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.478 -6.324 11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.898 -6.909 11.129 1.00 0.00 H new ATOM 582 N GLY A 37 -2.828 -5.415 8.883 1.00 0.00 N ATOM 583 CA GLY A 37 -2.528 -4.289 8.014 1.00 0.00 C ATOM 584 C GLY A 37 -3.813 -3.620 7.521 1.00 0.00 C ATOM 585 O GLY A 37 -3.791 -2.466 7.094 1.00 0.00 O ATOM 0 H GLY A 37 -2.375 -6.290 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.918 -3.562 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.941 -4.629 7.161 1.00 0.00 H new ATOM 589 N CYS A 38 -4.901 -4.372 7.595 1.00 0.00 N ATOM 590 CA CYS A 38 -6.192 -3.866 7.161 1.00 0.00 C ATOM 591 C CYS A 38 -6.750 -2.965 8.265 1.00 0.00 C ATOM 592 O CYS A 38 -7.250 -1.876 7.988 1.00 0.00 O ATOM 593 CB CYS A 38 -7.155 -5.002 6.810 1.00 0.00 C ATOM 594 SG CYS A 38 -7.132 -5.307 5.006 1.00 0.00 S ATOM 0 H CYS A 38 -4.915 -5.328 7.949 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.070 -3.285 6.247 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.871 -5.909 7.344 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.165 -4.746 7.131 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.179 -6.143 4.719 1.00 0.00 H new ATOM 600 N LEU A 39 -6.645 -3.453 9.492 1.00 0.00 N ATOM 601 CA LEU A 39 -7.133 -2.705 10.638 1.00 0.00 C ATOM 602 C LEU A 39 -6.346 -1.399 10.763 1.00 0.00 C ATOM 603 O LEU A 39 -6.881 -0.387 11.214 1.00 0.00 O ATOM 604 CB LEU A 39 -7.093 -3.570 11.900 1.00 0.00 C ATOM 605 CG LEU A 39 -8.392 -3.645 12.704 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.777 -2.271 13.255 1.00 0.00 C ATOM 607 CD2 LEU A 39 -9.517 -4.264 11.871 1.00 0.00 C ATOM 0 H LEU A 39 -6.229 -4.357 9.718 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.180 -2.435 10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.808 -4.582 11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.307 -3.190 12.552 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.226 -4.300 13.560 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.704 -2.353 13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.984 -1.905 13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.918 -1.574 12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.429 -4.306 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.690 -3.655 10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.234 -5.273 11.570 1.00 0.00 H new ATOM 619 N VAL A 40 -5.087 -1.463 10.354 1.00 0.00 N ATOM 620 CA VAL A 40 -4.220 -0.298 10.414 1.00 0.00 C ATOM 621 C VAL A 40 -4.596 0.670 9.291 1.00 0.00 C ATOM 622 O VAL A 40 -5.138 1.744 9.547 1.00 0.00 O ATOM 623 CB VAL A 40 -2.754 -0.734 10.364 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.826 0.478 10.265 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.398 -1.601 11.572 1.00 0.00 C ATOM 0 H VAL A 40 -4.647 -2.303 9.980 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.355 0.231 11.357 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.614 -1.338 9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.790 0.141 10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.055 1.039 9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.971 1.119 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.351 -1.897 11.511 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.562 -1.034 12.488 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.027 -2.491 11.579 1.00 0.00 H new ATOM 635 N VAL A 41 -4.292 0.255 8.070 1.00 0.00 N ATOM 636 CA VAL A 41 -4.591 1.072 6.906 1.00 0.00 C ATOM 637 C VAL A 41 -6.009 1.634 7.033 1.00 0.00 C ATOM 638 O VAL A 41 -6.223 2.833 6.859 1.00 0.00 O ATOM 639 CB VAL A 41 -4.383 0.258 5.627 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.461 -0.819 5.482 1.00 0.00 C ATOM 641 CG2 VAL A 41 -4.348 1.167 4.398 1.00 0.00 C ATOM 0 H VAL A 41 -3.842 -0.636 7.861 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.909 1.920 6.850 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.417 -0.242 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.291 -1.383 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.418 -1.494 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.443 -0.348 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.199 0.563 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.291 1.708 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.529 1.879 4.496 1.00 0.00 H new ATOM 651 N ALA A 42 -6.940 0.741 7.335 1.00 0.00 N ATOM 652 CA ALA A 42 -8.331 1.133 7.488 1.00 0.00 C ATOM 653 C ALA A 42 -8.432 2.236 8.543 1.00 0.00 C ATOM 654 O ALA A 42 -8.854 3.352 8.241 1.00 0.00 O ATOM 655 CB ALA A 42 -9.171 -0.094 7.845 1.00 0.00 C ATOM 0 H ALA A 42 -6.759 -0.253 7.478 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.722 1.534 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.214 0.200 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.088 -0.835 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.810 -0.523 8.780 1.00 0.00 H new ATOM 661 N ALA A 43 -8.039 1.886 9.759 1.00 0.00 N ATOM 662 CA ALA A 43 -8.080 2.833 10.860 1.00 0.00 C ATOM 663 C ALA A 43 -7.612 4.204 10.367 1.00 0.00 C ATOM 664 O ALA A 43 -8.273 5.213 10.608 1.00 0.00 O ATOM 665 CB ALA A 43 -7.229 2.307 12.018 1.00 0.00 C ATOM 0 H ALA A 43 -7.691 0.960 10.006 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.099 2.947 11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.260 3.017 12.844 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.622 1.346 12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.199 2.182 11.685 1.00 0.00 H new ATOM 671 N TYR A 44 -6.475 4.195 9.686 1.00 0.00 N ATOM 672 CA TYR A 44 -5.911 5.425 9.157 1.00 0.00 C ATOM 673 C TYR A 44 -6.868 6.084 8.161 1.00 0.00 C ATOM 674 O TYR A 44 -7.082 7.294 8.208 1.00 0.00 O ATOM 675 CB TYR A 44 -4.630 5.020 8.425 1.00 0.00 C ATOM 676 CG TYR A 44 -3.528 6.081 8.466 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.829 7.400 8.195 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.233 5.718 8.775 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.792 8.398 8.234 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.195 6.716 8.815 1.00 0.00 C ATOM 681 CZ TYR A 44 -1.526 8.007 8.542 1.00 0.00 C ATOM 682 OH TYR A 44 -0.546 8.949 8.579 1.00 0.00 O ATOM 0 H TYR A 44 -5.930 3.356 9.489 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.726 6.139 9.960 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.249 4.098 8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.872 4.802 7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.843 7.684 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.998 4.685 8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.014 9.434 8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.178 6.446 9.056 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.769 9.627 9.251 1.00 0.00 H new ATOM 692 N ARG A 45 -7.417 5.258 7.283 1.00 0.00 N ATOM 693 CA ARG A 45 -8.346 5.745 6.277 1.00 0.00 C ATOM 694 C ARG A 45 -9.499 6.499 6.941 1.00 0.00 C ATOM 695 O ARG A 45 -9.790 7.639 6.580 1.00 0.00 O ATOM 696 CB ARG A 45 -8.911 4.592 5.446 1.00 0.00 C ATOM 697 CG ARG A 45 -8.466 4.699 3.986 1.00 0.00 C ATOM 698 CD ARG A 45 -8.736 3.395 3.233 1.00 0.00 C ATOM 699 NE ARG A 45 -9.112 3.688 1.832 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.383 2.742 0.907 1.00 0.00 C ATOM 701 NH1 ARG A 45 -9.322 1.433 1.228 1.00 0.00 N ATOM 702 NH2 ARG A 45 -9.709 3.118 -0.316 1.00 0.00 N ATOM 0 H ARG A 45 -7.237 4.255 7.247 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.799 6.419 5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.578 3.641 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.000 4.600 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.994 5.519 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.403 4.935 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.849 2.762 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.535 2.841 3.724 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.170 4.666 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.070 1.151 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.528 0.725 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.753 4.110 -0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.917 2.417 -1.027 1.00 0.00 H new ATOM 716 N ILE A 46 -10.126 5.833 7.900 1.00 0.00 N ATOM 717 CA ILE A 46 -11.241 6.427 8.618 1.00 0.00 C ATOM 718 C ILE A 46 -10.813 7.781 9.187 1.00 0.00 C ATOM 719 O ILE A 46 -11.453 8.798 8.925 1.00 0.00 O ATOM 720 CB ILE A 46 -11.776 5.457 9.674 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.342 4.194 9.021 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.801 6.143 10.579 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.096 2.966 9.900 1.00 0.00 C ATOM 0 H ILE A 46 -9.883 4.888 8.196 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.074 6.615 7.940 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.944 5.147 10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.412 4.316 8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.879 4.046 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.165 5.432 11.320 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.332 6.987 11.085 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.637 6.500 9.977 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.508 2.082 9.413 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.024 2.833 10.048 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.581 3.107 10.866 1.00 0.00 H new ATOM 735 N TYR A 47 -9.734 7.749 9.956 1.00 0.00 N ATOM 736 CA TYR A 47 -9.214 8.962 10.565 1.00 0.00 C ATOM 737 C TYR A 47 -9.162 10.106 9.550 1.00 0.00 C ATOM 738 O TYR A 47 -9.583 11.223 9.848 1.00 0.00 O ATOM 739 CB TYR A 47 -7.789 8.630 11.013 1.00 0.00 C ATOM 740 CG TYR A 47 -7.633 8.480 12.528 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.630 9.600 13.335 1.00 0.00 C ATOM 742 CD2 TYR A 47 -7.495 7.226 13.087 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.483 9.460 14.761 1.00 0.00 C ATOM 744 CE2 TYR A 47 -7.348 7.086 14.513 1.00 0.00 C ATOM 745 CZ TYR A 47 -7.349 8.209 15.279 1.00 0.00 C ATOM 746 OH TYR A 47 -7.210 8.077 16.626 1.00 0.00 O ATOM 0 H TYR A 47 -9.206 6.903 10.171 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.850 9.280 11.391 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.474 7.704 10.532 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.117 9.415 10.665 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.738 10.581 12.897 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.497 6.350 12.456 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.479 10.328 15.404 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.239 6.111 14.964 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.125 7.128 16.855 1.00 0.00 H new ATOM 756 N ARG A 48 -8.643 9.788 8.374 1.00 0.00 N ATOM 757 CA ARG A 48 -8.531 10.776 7.314 1.00 0.00 C ATOM 758 C ARG A 48 -9.917 11.290 6.918 1.00 0.00 C ATOM 759 O ARG A 48 -10.163 12.495 6.929 1.00 0.00 O ATOM 760 CB ARG A 48 -7.843 10.186 6.081 1.00 0.00 C ATOM 761 CG ARG A 48 -6.911 11.210 5.430 1.00 0.00 C ATOM 762 CD ARG A 48 -5.455 10.957 5.827 1.00 0.00 C ATOM 763 NE ARG A 48 -4.634 10.728 4.618 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.451 11.643 3.642 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.031 12.859 3.726 1.00 0.00 N ATOM 766 NH2 ARG A 48 -3.696 11.330 2.605 1.00 0.00 N ATOM 0 H ARG A 48 -8.295 8.860 8.131 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.928 11.601 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.274 9.301 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.594 9.863 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.010 11.159 4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.204 12.216 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.068 11.810 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.394 10.092 6.487 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.177 9.822 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.612 13.092 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.888 13.545 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.261 10.409 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.547 12.009 1.859 1.00 0.00 H new ATOM 780 N LEU A 49 -10.787 10.349 6.579 1.00 0.00 N ATOM 781 CA LEU A 49 -12.142 10.692 6.181 1.00 0.00 C ATOM 782 C LEU A 49 -12.697 11.751 7.136 1.00 0.00 C ATOM 783 O LEU A 49 -13.158 12.804 6.699 1.00 0.00 O ATOM 784 CB LEU A 49 -13.007 9.433 6.089 1.00 0.00 C ATOM 785 CG LEU A 49 -13.525 9.076 4.694 1.00 0.00 C ATOM 786 CD1 LEU A 49 -12.545 8.155 3.965 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.930 8.476 4.768 1.00 0.00 C ATOM 0 H LEU A 49 -10.580 9.350 6.572 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.147 11.129 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.428 8.590 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.863 9.555 6.753 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.598 9.994 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.937 7.916 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.582 8.656 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.417 7.235 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.274 8.231 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.908 7.571 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.611 9.198 5.219 1.00 0.00 H new ATOM 799 N ARG A 50 -12.634 11.435 8.421 1.00 0.00 N ATOM 800 CA ARG A 50 -13.125 12.346 9.441 1.00 0.00 C ATOM 801 C ARG A 50 -12.607 13.762 9.181 1.00 0.00 C ATOM 802 O ARG A 50 -11.788 13.973 8.288 1.00 0.00 O ATOM 803 CB ARG A 50 -12.686 11.898 10.837 1.00 0.00 C ATOM 804 CG ARG A 50 -13.880 11.831 11.791 1.00 0.00 C ATOM 805 CD ARG A 50 -14.342 10.386 11.990 1.00 0.00 C ATOM 806 NE ARG A 50 -15.803 10.288 11.774 1.00 0.00 N ATOM 807 CZ ARG A 50 -16.586 9.332 12.318 1.00 0.00 C ATOM 808 NH1 ARG A 50 -16.054 8.383 13.116 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.880 9.340 12.057 1.00 0.00 N ATOM 0 H ARG A 50 -12.250 10.561 8.779 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.214 12.339 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.209 10.920 10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.942 12.591 11.228 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.606 12.265 12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.701 12.428 11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.818 9.729 11.295 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.091 10.051 12.996 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.246 10.986 11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.053 8.384 13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.653 7.664 13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.274 10.061 11.453 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.486 8.625 12.460 1.00 0.00 H new ATOM 1045 N ARG A 65 6.875 12.088 8.338 1.00 0.00 N ATOM 1046 CA ARG A 65 6.240 11.847 7.053 1.00 0.00 C ATOM 1047 C ARG A 65 5.411 10.562 7.104 1.00 0.00 C ATOM 1048 O ARG A 65 5.508 9.721 6.211 1.00 0.00 O ATOM 1049 CB ARG A 65 7.280 11.731 5.938 1.00 0.00 C ATOM 1050 CG ARG A 65 8.177 10.510 6.149 1.00 0.00 C ATOM 1051 CD ARG A 65 9.639 10.844 5.845 1.00 0.00 C ATOM 1052 NE ARG A 65 10.258 11.516 7.009 1.00 0.00 N ATOM 1053 CZ ARG A 65 11.435 12.175 6.965 1.00 0.00 C ATOM 1054 NH1 ARG A 65 12.132 12.255 5.812 1.00 0.00 N ATOM 1055 NH2 ARG A 65 11.894 12.739 8.067 1.00 0.00 N ATOM 0 HA ARG A 65 5.589 12.695 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.777 11.655 4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.890 12.634 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.086 10.161 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.845 9.695 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.187 9.932 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.698 11.489 4.968 1.00 0.00 H new ATOM 0 HE ARG A 65 9.764 11.479 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.770 11.816 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.021 12.755 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.361 12.673 8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.782 13.241 8.051 1.00 0.00 H new ATOM 1069 N VAL A 66 4.614 10.451 8.156 1.00 0.00 N ATOM 1070 CA VAL A 66 3.768 9.283 8.335 1.00 0.00 C ATOM 1071 C VAL A 66 2.660 9.295 7.280 1.00 0.00 C ATOM 1072 O VAL A 66 2.226 8.241 6.818 1.00 0.00 O ATOM 1073 CB VAL A 66 3.230 9.240 9.766 1.00 0.00 C ATOM 1074 CG1 VAL A 66 2.145 10.298 9.976 1.00 0.00 C ATOM 1075 CG2 VAL A 66 2.710 7.844 10.115 1.00 0.00 C ATOM 0 H VAL A 66 4.536 11.151 8.894 1.00 0.00 H new ATOM 0 HA VAL A 66 4.344 8.369 8.192 1.00 0.00 H new ATOM 0 HB VAL A 66 4.055 9.468 10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.780 10.246 11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.561 11.288 9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.320 10.115 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.333 7.841 11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.905 7.574 9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.521 7.121 10.025 1.00 0.00 H new ATOM 1085 N ALA A 67 2.233 10.500 6.930 1.00 0.00 N ATOM 1086 CA ALA A 67 1.184 10.663 5.938 1.00 0.00 C ATOM 1087 C ALA A 67 1.704 10.210 4.572 1.00 0.00 C ATOM 1088 O ALA A 67 1.072 9.395 3.902 1.00 0.00 O ATOM 1089 CB ALA A 67 0.712 12.119 5.929 1.00 0.00 C ATOM 0 H ALA A 67 2.595 11.372 7.316 1.00 0.00 H new ATOM 0 HA ALA A 67 0.323 10.042 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.075 12.242 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.325 12.382 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.550 12.771 5.682 1.00 0.00 H new ATOM 1095 N ALA A 68 2.851 10.759 4.200 1.00 0.00 N ATOM 1096 CA ALA A 68 3.463 10.422 2.926 1.00 0.00 C ATOM 1097 C ALA A 68 3.749 8.919 2.884 1.00 0.00 C ATOM 1098 O ALA A 68 3.283 8.220 1.986 1.00 0.00 O ATOM 1099 CB ALA A 68 4.727 11.261 2.728 1.00 0.00 C ATOM 0 H ALA A 68 3.373 11.435 4.758 1.00 0.00 H new ATOM 0 HA ALA A 68 2.786 10.653 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.186 11.008 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.466 12.319 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.431 11.054 3.534 1.00 0.00 H new ATOM 1105 N GLN A 69 4.514 8.467 3.867 1.00 0.00 N ATOM 1106 CA GLN A 69 4.867 7.061 3.954 1.00 0.00 C ATOM 1107 C GLN A 69 3.627 6.188 3.752 1.00 0.00 C ATOM 1108 O GLN A 69 3.626 5.289 2.913 1.00 0.00 O ATOM 1109 CB GLN A 69 5.547 6.748 5.289 1.00 0.00 C ATOM 1110 CG GLN A 69 6.261 5.396 5.237 1.00 0.00 C ATOM 1111 CD GLN A 69 6.518 4.857 6.645 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.075 5.524 7.501 1.00 0.00 O ATOM 1113 NE2 GLN A 69 6.082 3.615 6.837 1.00 0.00 N ATOM 0 H GLN A 69 4.899 9.050 4.610 1.00 0.00 H new ATOM 0 HA GLN A 69 5.579 6.836 3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.264 7.533 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.804 6.741 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.657 4.683 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.207 5.501 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.624 3.112 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.206 3.165 7.744 1.00 0.00 H new ATOM 1122 N ALA A 70 2.601 6.484 4.536 1.00 0.00 N ATOM 1123 CA ALA A 70 1.357 5.738 4.454 1.00 0.00 C ATOM 1124 C ALA A 70 0.724 5.959 3.079 1.00 0.00 C ATOM 1125 O ALA A 70 -0.030 5.116 2.596 1.00 0.00 O ATOM 1126 CB ALA A 70 0.431 6.161 5.597 1.00 0.00 C ATOM 0 H ALA A 70 2.606 7.230 5.231 1.00 0.00 H new ATOM 0 HA ALA A 70 1.543 4.670 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.502 5.601 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.915 5.956 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.220 7.228 5.519 1.00 0.00 H new ATOM 1132 N CYS A 71 1.055 7.097 2.487 1.00 0.00 N ATOM 1133 CA CYS A 71 0.529 7.439 1.176 1.00 0.00 C ATOM 1134 C CYS A 71 1.046 6.412 0.168 1.00 0.00 C ATOM 1135 O CYS A 71 0.267 5.831 -0.587 1.00 0.00 O ATOM 1136 CB CYS A 71 0.897 8.869 0.775 1.00 0.00 C ATOM 1137 SG CYS A 71 -0.425 9.586 -0.268 1.00 0.00 S ATOM 0 H CYS A 71 1.681 7.794 2.891 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.560 7.407 1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.040 9.480 1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.842 8.871 0.232 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.104 10.801 -0.601 1.00 0.00 H new ATOM 1143 N ALA A 72 2.357 6.220 0.186 1.00 0.00 N ATOM 1144 CA ALA A 72 2.987 5.272 -0.717 1.00 0.00 C ATOM 1145 C ALA A 72 2.701 3.848 -0.237 1.00 0.00 C ATOM 1146 O ALA A 72 1.949 3.113 -0.875 1.00 0.00 O ATOM 1147 CB ALA A 72 4.486 5.569 -0.804 1.00 0.00 C ATOM 0 H ALA A 72 3.000 6.705 0.812 1.00 0.00 H new ATOM 0 HA ALA A 72 2.576 5.369 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.959 4.858 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.635 6.582 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.933 5.479 0.186 1.00 0.00 H new ATOM 1153 N VAL A 73 3.317 3.501 0.884 1.00 0.00 N ATOM 1154 CA VAL A 73 3.138 2.178 1.456 1.00 0.00 C ATOM 1155 C VAL A 73 1.666 1.773 1.344 1.00 0.00 C ATOM 1156 O VAL A 73 1.356 0.653 0.941 1.00 0.00 O ATOM 1157 CB VAL A 73 3.655 2.156 2.896 1.00 0.00 C ATOM 1158 CG1 VAL A 73 3.286 0.845 3.592 1.00 0.00 C ATOM 1159 CG2 VAL A 73 5.166 2.393 2.939 1.00 0.00 C ATOM 0 H VAL A 73 3.940 4.113 1.411 1.00 0.00 H new ATOM 0 HA VAL A 73 3.721 1.441 0.903 1.00 0.00 H new ATOM 0 HB VAL A 73 3.172 2.969 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.666 0.856 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.202 0.735 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.727 0.009 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.508 2.373 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.673 1.611 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.395 3.364 2.500 1.00 0.00 H new ATOM 1169 N GLY A 74 0.799 2.706 1.709 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.632 2.460 1.654 1.00 0.00 C ATOM 1171 C GLY A 74 -1.100 2.268 0.210 1.00 0.00 C ATOM 1172 O GLY A 74 -1.863 1.349 -0.081 1.00 0.00 O ATOM 0 H GLY A 74 1.060 3.633 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.875 1.573 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.166 3.296 2.105 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.624 3.152 -0.655 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.985 3.091 -2.061 1.00 0.00 C ATOM 1178 C ALA A 75 -0.766 1.668 -2.579 1.00 0.00 C ATOM 1179 O ALA A 75 -1.685 1.050 -3.114 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.173 4.126 -2.842 1.00 0.00 C ATOM 0 H ALA A 75 0.008 3.914 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.039 3.333 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.444 4.080 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.386 5.123 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.890 3.913 -2.731 1.00 0.00 H new ATOM 1186 N ILE A 76 0.457 1.189 -2.400 1.00 0.00 N ATOM 1187 CA ILE A 76 0.808 -0.150 -2.842 1.00 0.00 C ATOM 1188 C ILE A 76 -0.094 -1.167 -2.139 1.00 0.00 C ATOM 1189 O ILE A 76 -0.916 -1.820 -2.780 1.00 0.00 O ATOM 1190 CB ILE A 76 2.302 -0.407 -2.637 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.145 0.558 -3.472 1.00 0.00 C ATOM 1192 CG2 ILE A 76 2.651 -1.869 -2.924 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.516 0.784 -2.832 1.00 0.00 C ATOM 0 H ILE A 76 1.217 1.704 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 76 0.634 -0.256 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 76 2.540 -0.218 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.271 0.159 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.624 1.510 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.719 -2.025 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.089 -2.516 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.394 -2.109 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.095 1.474 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.387 1.206 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.044 -0.167 -2.758 1.00 0.00 H new ATOM 1205 N MET A 77 0.091 -1.270 -0.832 1.00 0.00 N ATOM 1206 CA MET A 77 -0.695 -2.197 -0.035 1.00 0.00 C ATOM 1207 C MET A 77 -2.147 -2.239 -0.517 1.00 0.00 C ATOM 1208 O MET A 77 -2.787 -3.288 -0.477 1.00 0.00 O ATOM 1209 CB MET A 77 -0.656 -1.769 1.433 1.00 0.00 C ATOM 1210 CG MET A 77 0.152 -2.761 2.272 1.00 0.00 C ATOM 1211 SD MET A 77 1.883 -2.329 2.229 1.00 0.00 S ATOM 1212 CE MET A 77 2.307 -2.572 3.946 1.00 0.00 C ATOM 0 H MET A 77 0.774 -0.727 -0.304 1.00 0.00 H new ATOM 0 HA MET A 77 -0.267 -3.194 -0.143 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.216 -0.775 1.514 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.672 -1.700 1.823 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.207 -2.756 3.301 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.011 -3.772 1.890 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.362 -2.344 4.096 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.701 -1.912 4.567 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.116 -3.608 4.225 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.623 -1.085 -0.960 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.987 -0.976 -1.449 1.00 0.00 C ATOM 1224 C LEU A 78 -4.121 -1.765 -2.753 1.00 0.00 C ATOM 1225 O LEU A 78 -4.890 -2.723 -2.826 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.396 0.493 -1.574 1.00 0.00 C ATOM 1227 CG LEU A 78 -4.928 1.152 -0.300 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -4.863 2.677 -0.404 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.339 0.659 0.024 1.00 0.00 C ATOM 0 H LEU A 78 -2.088 -0.217 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.684 -1.417 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.533 1.062 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.161 0.572 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.286 0.858 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.247 3.121 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.829 2.988 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.467 3.010 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.693 1.143 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.008 0.903 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.322 -0.421 0.170 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.362 -1.334 -3.749 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.386 -1.989 -5.046 1.00 0.00 C ATOM 1243 C GLY A 79 -3.143 -3.493 -4.906 1.00 0.00 C ATOM 1244 O GLY A 79 -3.945 -4.301 -5.371 1.00 0.00 O ATOM 0 H GLY A 79 -2.726 -0.539 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.349 -1.816 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.624 -1.553 -5.692 1.00 0.00 H new ATOM 1248 N ALA A 80 -2.033 -3.823 -4.263 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.674 -5.216 -4.056 1.00 0.00 C ATOM 1250 C ALA A 80 -2.859 -5.956 -3.434 1.00 0.00 C ATOM 1251 O ALA A 80 -3.432 -6.850 -4.055 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.416 -5.295 -3.188 1.00 0.00 C ATOM 0 H ALA A 80 -1.370 -3.150 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.446 -5.699 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.146 -6.340 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.404 -4.779 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.608 -4.823 -2.225 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.192 -5.557 -2.215 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.299 -6.171 -1.502 1.00 0.00 C ATOM 1260 C VAL A 81 -5.459 -6.403 -2.472 1.00 0.00 C ATOM 1261 O VAL A 81 -5.912 -7.534 -2.645 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.689 -5.310 -0.299 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -6.066 -5.708 0.237 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.628 -5.392 0.800 1.00 0.00 C ATOM 0 H VAL A 81 -2.714 -4.816 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.006 -7.144 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.747 -4.274 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.319 -5.081 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.813 -5.574 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.048 -6.753 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.929 -4.771 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.524 -6.426 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.673 -5.037 0.411 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.906 -5.315 -3.081 1.00 0.00 N ATOM 1275 CA TYR A 82 -7.005 -5.386 -4.029 1.00 0.00 C ATOM 1276 C TYR A 82 -6.870 -6.612 -4.934 1.00 0.00 C ATOM 1277 O TYR A 82 -7.752 -7.470 -4.957 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.904 -4.122 -4.886 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.093 -3.170 -4.733 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.089 -2.218 -3.734 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -9.167 -3.264 -5.593 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.208 -1.322 -3.590 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -10.286 -2.369 -5.449 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.251 -1.442 -4.455 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.307 -0.596 -4.319 1.00 0.00 O ATOM 0 H TYR A 82 -5.527 -4.379 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.958 -5.463 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.989 -3.590 -4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.816 -4.411 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.248 -2.145 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.169 -4.009 -6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.219 -0.572 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.134 -2.433 -6.115 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.977 -0.796 -5.005 1.00 0.00 H new ATOM 1295 N THR A 83 -5.760 -6.657 -5.656 1.00 0.00 N ATOM 1296 CA THR A 83 -5.499 -7.764 -6.559 1.00 0.00 C ATOM 1297 C THR A 83 -5.486 -9.088 -5.791 1.00 0.00 C ATOM 1298 O THR A 83 -5.785 -10.139 -6.354 1.00 0.00 O ATOM 1299 CB THR A 83 -4.189 -7.476 -7.294 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.525 -7.619 -8.672 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.132 -8.556 -7.054 1.00 0.00 C ATOM 0 H THR A 83 -5.031 -5.944 -5.634 1.00 0.00 H new ATOM 0 HA THR A 83 -6.291 -7.863 -7.302 1.00 0.00 H new ATOM 0 HB THR A 83 -3.799 -6.510 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.732 -7.447 -9.222 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.222 -8.302 -7.598 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.911 -8.619 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.508 -9.517 -7.404 1.00 0.00 H new ATOM 1309 N MET A 84 -5.137 -8.992 -4.517 1.00 0.00 N ATOM 1310 CA MET A 84 -5.081 -10.168 -3.665 1.00 0.00 C ATOM 1311 C MET A 84 -6.486 -10.679 -3.343 1.00 0.00 C ATOM 1312 O MET A 84 -6.890 -11.738 -3.821 1.00 0.00 O ATOM 1313 CB MET A 84 -4.352 -9.823 -2.365 1.00 0.00 C ATOM 1314 CG MET A 84 -3.090 -10.673 -2.202 1.00 0.00 C ATOM 1315 SD MET A 84 -1.654 -9.618 -2.097 1.00 0.00 S ATOM 1316 CE MET A 84 -0.552 -10.685 -1.184 1.00 0.00 C ATOM 0 H MET A 84 -4.890 -8.118 -4.054 1.00 0.00 H new ATOM 0 HA MET A 84 -4.542 -10.953 -4.196 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.086 -8.766 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.017 -9.986 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.168 -11.286 -1.304 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.989 -11.355 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.400 -10.178 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.996 -10.926 -0.218 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.386 -11.604 -1.746 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.193 -9.903 -2.535 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.545 -10.263 -2.143 1.00 0.00 C ATOM 1328 C TYR A 85 -9.436 -10.465 -3.371 1.00 0.00 C ATOM 1329 O TYR A 85 -10.456 -11.148 -3.296 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.077 -9.082 -1.330 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.008 -9.288 0.185 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -7.831 -9.707 0.771 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.122 -9.055 0.965 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -7.765 -9.901 2.196 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -10.057 -9.249 2.390 1.00 0.00 C ATOM 1336 CZ TYR A 85 -8.882 -9.663 2.936 1.00 0.00 C ATOM 1337 OH TYR A 85 -8.820 -9.846 4.282 1.00 0.00 O ATOM 0 H TYR A 85 -6.855 -9.025 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.546 -11.194 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.509 -8.189 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.113 -8.896 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.959 -9.889 0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.043 -8.727 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.850 -10.228 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.922 -9.070 3.012 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.691 -9.638 4.681 1.00 0.00 H new ATOM 1347 N SER A 86 -9.018 -9.858 -4.472 1.00 0.00 N ATOM 1348 CA SER A 86 -9.765 -9.962 -5.713 1.00 0.00 C ATOM 1349 C SER A 86 -9.493 -11.314 -6.376 1.00 0.00 C ATOM 1350 O SER A 86 -10.390 -12.149 -6.481 1.00 0.00 O ATOM 1351 CB SER A 86 -9.408 -8.821 -6.668 1.00 0.00 C ATOM 1352 OG SER A 86 -10.025 -8.979 -7.943 1.00 0.00 O ATOM 0 H SER A 86 -8.171 -9.292 -4.530 1.00 0.00 H new ATOM 0 HA SER A 86 -10.827 -9.886 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.718 -7.872 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.326 -8.777 -6.792 1.00 0.00 H new ATOM 0 HG SER A 86 -9.774 -8.230 -8.523 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.252 -11.487 -6.806 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.850 -12.723 -7.456 1.00 0.00 C ATOM 1360 C ASP A 87 -8.184 -13.905 -6.544 1.00 0.00 C ATOM 1361 O ASP A 87 -8.434 -15.011 -7.021 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.344 -12.741 -7.722 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.829 -13.992 -8.438 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.591 -14.931 -8.712 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.571 -13.978 -8.721 1.00 0.00 O ATOM 0 H ASP A 87 -7.511 -10.792 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.384 -12.795 -8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.085 -11.866 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.821 -12.644 -6.771 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.176 -13.632 -5.247 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.474 -14.659 -4.264 1.00 0.00 C ATOM 1372 C TYR A 88 -9.772 -15.390 -4.611 1.00 0.00 C ATOM 1373 O TYR A 88 -9.980 -16.527 -4.191 1.00 0.00 O ATOM 1374 CB TYR A 88 -8.655 -13.928 -2.932 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.503 -14.691 -1.913 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.074 -15.913 -1.436 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -10.697 -14.159 -1.472 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -9.873 -16.632 -0.477 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -11.496 -14.877 -0.513 1.00 0.00 C ATOM 1380 CZ TYR A 88 -11.044 -16.079 -0.062 1.00 0.00 C ATOM 1381 OH TYR A 88 -11.798 -16.758 0.843 1.00 0.00 O ATOM 0 H TYR A 88 -7.968 -12.714 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.675 -15.400 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.673 -13.734 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.117 -12.959 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.140 -16.330 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.033 -13.203 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.549 -17.589 -0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.432 -14.471 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.606 -16.243 1.048 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.612 -14.707 -5.375 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.885 -15.277 -5.784 1.00 0.00 C ATOM 1393 C VAL A 89 -11.649 -16.668 -6.376 1.00 0.00 C ATOM 1394 O VAL A 89 -10.507 -17.108 -6.500 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.597 -14.329 -6.750 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -12.961 -13.013 -6.059 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -11.747 -14.077 -7.997 1.00 0.00 C ATOM 0 H VAL A 89 -10.436 -13.764 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.544 -15.397 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.523 -14.808 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.466 -12.357 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.623 -13.215 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.054 -12.528 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.276 -13.400 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.797 -13.630 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.562 -15.022 -8.508 1.00 0.00 H new