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= -0.141 USER MOD Single : A 38 CYS SG : rot 82:sc= -0.825 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= -1.05 K(o=-1,f=-4.9!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -143:sc= -0.226 (180deg=-1.75!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 85:sc= 0.183 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 6.459 -1.239 -11.102 1.00 0.00 N ATOM 245 CA CYS A 16 5.191 -1.584 -10.481 1.00 0.00 C ATOM 246 C CYS A 16 5.467 -2.561 -9.337 1.00 0.00 C ATOM 247 O CYS A 16 5.186 -2.260 -8.178 1.00 0.00 O ATOM 248 CB CYS A 16 4.202 -2.159 -11.497 1.00 0.00 C ATOM 249 SG CYS A 16 3.579 -0.828 -12.587 1.00 0.00 S ATOM 0 HA CYS A 16 4.721 -0.685 -10.084 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.688 -2.931 -12.093 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.370 -2.634 -10.978 1.00 0.00 H new ATOM 0 HG CYS A 16 2.742 -1.328 -13.447 1.00 0.00 H new ATOM 255 N VAL A 17 6.014 -3.711 -9.702 1.00 0.00 N ATOM 256 CA VAL A 17 6.330 -4.734 -8.720 1.00 0.00 C ATOM 257 C VAL A 17 7.574 -5.502 -9.172 1.00 0.00 C ATOM 258 O VAL A 17 8.658 -5.315 -8.622 1.00 0.00 O ATOM 259 CB VAL A 17 5.117 -5.640 -8.497 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.522 -6.936 -7.793 1.00 0.00 C ATOM 261 CG2 VAL A 17 4.024 -4.909 -7.715 1.00 0.00 C ATOM 0 H VAL A 17 6.246 -3.957 -10.664 1.00 0.00 H new ATOM 0 HA VAL A 17 6.560 -4.279 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 17 4.711 -5.903 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.641 -7.561 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.249 -7.470 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.965 -6.701 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.173 -5.575 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.414 -4.602 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.705 -4.028 -8.273 1.00 0.00 H new ATOM 271 N SER A 18 7.376 -6.350 -10.171 1.00 0.00 N ATOM 272 CA SER A 18 8.468 -7.147 -10.704 1.00 0.00 C ATOM 273 C SER A 18 9.029 -8.062 -9.613 1.00 0.00 C ATOM 274 O SER A 18 8.569 -8.028 -8.473 1.00 0.00 O ATOM 275 CB SER A 18 9.575 -6.255 -11.270 1.00 0.00 C ATOM 276 OG SER A 18 10.128 -6.788 -12.471 1.00 0.00 O ATOM 0 H SER A 18 6.476 -6.502 -10.625 1.00 0.00 H new ATOM 0 HA SER A 18 8.080 -7.759 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.175 -5.260 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.364 -6.141 -10.527 1.00 0.00 H new ATOM 0 HG SER A 18 10.830 -6.189 -12.802 1.00 0.00 H new ATOM 282 N GLU A 19 10.014 -8.858 -10.002 1.00 0.00 N ATOM 283 CA GLU A 19 10.643 -9.780 -9.072 1.00 0.00 C ATOM 284 C GLU A 19 11.260 -9.014 -7.900 1.00 0.00 C ATOM 285 O GLU A 19 11.515 -9.589 -6.843 1.00 0.00 O ATOM 286 CB GLU A 19 11.692 -10.641 -9.778 1.00 0.00 C ATOM 287 CG GLU A 19 12.728 -9.769 -10.490 1.00 0.00 C ATOM 288 CD GLU A 19 13.033 -10.310 -11.888 1.00 0.00 C ATOM 289 OE1 GLU A 19 13.898 -11.265 -11.926 1.00 0.00 O ATOM 290 OE2 GLU A 19 12.461 -9.828 -12.877 1.00 0.00 O ATOM 0 H GLU A 19 10.392 -8.883 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 19 9.877 -10.449 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.190 -11.283 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.204 -11.296 -10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.358 -8.746 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.645 -9.734 -9.902 1.00 0.00 H new ATOM 297 N LYS A 20 11.483 -7.728 -8.127 1.00 0.00 N ATOM 298 CA LYS A 20 12.066 -6.877 -7.104 1.00 0.00 C ATOM 299 C LYS A 20 11.121 -6.812 -5.902 1.00 0.00 C ATOM 300 O LYS A 20 11.421 -7.359 -4.842 1.00 0.00 O ATOM 301 CB LYS A 20 12.418 -5.505 -7.684 1.00 0.00 C ATOM 302 CG LYS A 20 12.913 -4.558 -6.589 1.00 0.00 C ATOM 303 CD LYS A 20 14.418 -4.719 -6.364 1.00 0.00 C ATOM 304 CE LYS A 20 14.790 -4.418 -4.910 1.00 0.00 C ATOM 305 NZ LYS A 20 16.091 -5.035 -4.570 1.00 0.00 N ATOM 0 H LYS A 20 11.270 -7.254 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 20 13.007 -7.298 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.187 -5.616 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.542 -5.077 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.691 -3.528 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.379 -4.760 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.721 -5.735 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.963 -4.049 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.841 -3.340 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.015 -4.798 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.329 -4.821 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.030 -6.065 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.830 -4.653 -5.194 1.00 0.00 H new ATOM 319 N LEU A 21 9.999 -6.139 -6.108 1.00 0.00 N ATOM 320 CA LEU A 21 9.008 -5.995 -5.054 1.00 0.00 C ATOM 321 C LEU A 21 8.570 -7.382 -4.580 1.00 0.00 C ATOM 322 O LEU A 21 8.473 -7.630 -3.379 1.00 0.00 O ATOM 323 CB LEU A 21 7.851 -5.111 -5.524 1.00 0.00 C ATOM 324 CG LEU A 21 7.650 -3.804 -4.755 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.339 -4.077 -3.282 1.00 0.00 C ATOM 326 CD2 LEU A 21 8.857 -2.878 -4.923 1.00 0.00 C ATOM 0 H LEU A 21 9.754 -5.687 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 21 9.438 -5.485 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.008 -4.870 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.930 -5.690 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 21 6.787 -3.289 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.201 -3.131 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.428 -4.670 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.167 -4.624 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.689 -1.956 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.751 -3.373 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.992 -2.645 -5.979 1.00 0.00 H new ATOM 338 N LEU A 22 8.316 -8.251 -5.548 1.00 0.00 N ATOM 339 CA LEU A 22 7.890 -9.606 -5.245 1.00 0.00 C ATOM 340 C LEU A 22 8.856 -10.225 -4.233 1.00 0.00 C ATOM 341 O LEU A 22 8.494 -10.445 -3.078 1.00 0.00 O ATOM 342 CB LEU A 22 7.742 -10.422 -6.531 1.00 0.00 C ATOM 343 CG LEU A 22 6.444 -10.210 -7.313 1.00 0.00 C ATOM 344 CD1 LEU A 22 6.694 -10.280 -8.821 1.00 0.00 C ATOM 345 CD2 LEU A 22 5.366 -11.200 -6.865 1.00 0.00 C ATOM 0 H LEU A 22 8.397 -8.042 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 22 6.903 -9.600 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.581 -10.186 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.822 -11.479 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 22 6.074 -9.209 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.755 -10.126 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.405 -9.505 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.100 -11.258 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.454 -11.028 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.714 -12.219 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.161 -11.059 -5.804 1.00 0.00 H new ATOM 357 N ARG A 23 10.067 -10.489 -4.702 1.00 0.00 N ATOM 358 CA ARG A 23 11.087 -11.078 -3.853 1.00 0.00 C ATOM 359 C ARG A 23 11.068 -10.424 -2.469 1.00 0.00 C ATOM 360 O ARG A 23 11.031 -11.116 -1.453 1.00 0.00 O ATOM 361 CB ARG A 23 12.478 -10.914 -4.468 1.00 0.00 C ATOM 362 CG ARG A 23 12.753 -12.007 -5.502 1.00 0.00 C ATOM 363 CD ARG A 23 13.758 -11.529 -6.552 1.00 0.00 C ATOM 364 NE ARG A 23 15.135 -11.857 -6.120 1.00 0.00 N ATOM 365 CZ ARG A 23 16.248 -11.335 -6.679 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.155 -10.454 -7.697 1.00 0.00 N ATOM 367 NH2 ARG A 23 17.429 -11.699 -6.214 1.00 0.00 N ATOM 0 H ARG A 23 10.364 -10.305 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 23 10.867 -12.141 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.558 -9.934 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.233 -10.953 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.139 -12.896 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.821 -12.294 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.547 -12.001 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.660 -10.453 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 23 15.251 -12.519 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.239 -10.177 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.001 -10.065 -8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.491 -12.365 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.280 -11.314 -6.625 1.00 0.00 H new ATOM 381 N LYS A 24 11.095 -9.100 -2.475 1.00 0.00 N ATOM 382 CA LYS A 24 11.082 -8.345 -1.234 1.00 0.00 C ATOM 383 C LYS A 24 10.024 -8.932 -0.297 1.00 0.00 C ATOM 384 O LYS A 24 10.336 -9.335 0.823 1.00 0.00 O ATOM 385 CB LYS A 24 10.894 -6.853 -1.516 1.00 0.00 C ATOM 386 CG LYS A 24 10.875 -6.048 -0.215 1.00 0.00 C ATOM 387 CD LYS A 24 12.292 -5.657 0.208 1.00 0.00 C ATOM 388 CE LYS A 24 12.544 -4.166 -0.028 1.00 0.00 C ATOM 389 NZ LYS A 24 13.570 -3.658 0.910 1.00 0.00 N ATOM 0 H LYS A 24 11.126 -8.530 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 24 12.042 -8.431 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.700 -6.496 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.962 -6.696 -2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.270 -5.151 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.405 -6.636 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.438 -5.892 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.018 -6.245 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.871 -4.005 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.616 -3.609 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.728 -2.645 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.244 -3.794 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.460 -4.177 0.766 1.00 0.00 H new ATOM 403 N THR A 25 8.794 -8.962 -0.789 1.00 0.00 N ATOM 404 CA THR A 25 7.688 -9.492 -0.010 1.00 0.00 C ATOM 405 C THR A 25 6.884 -10.494 -0.840 1.00 0.00 C ATOM 406 O THR A 25 6.407 -10.166 -1.926 1.00 0.00 O ATOM 407 CB THR A 25 6.855 -8.312 0.493 1.00 0.00 C ATOM 408 OG1 THR A 25 7.650 -7.742 1.529 1.00 0.00 O ATOM 409 CG2 THR A 25 5.578 -8.759 1.207 1.00 0.00 C ATOM 0 H THR A 25 8.539 -8.628 -1.718 1.00 0.00 H new ATOM 0 HA THR A 25 8.045 -10.048 0.857 1.00 0.00 H new ATOM 0 HB THR A 25 6.595 -7.668 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.185 -6.968 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.024 -7.883 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.960 -9.337 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.839 -9.376 2.067 1.00 0.00 H new ATOM 417 N ARG A 26 6.757 -11.697 -0.298 1.00 0.00 N ATOM 418 CA ARG A 26 6.018 -12.749 -0.975 1.00 0.00 C ATOM 419 C ARG A 26 6.094 -14.050 -0.175 1.00 0.00 C ATOM 420 O ARG A 26 6.794 -14.984 -0.565 1.00 0.00 O ATOM 421 CB ARG A 26 6.569 -12.991 -2.382 1.00 0.00 C ATOM 422 CG ARG A 26 5.446 -13.356 -3.355 1.00 0.00 C ATOM 423 CD ARG A 26 5.449 -14.856 -3.658 1.00 0.00 C ATOM 424 NE ARG A 26 5.656 -15.079 -5.107 1.00 0.00 N ATOM 425 CZ ARG A 26 6.866 -15.105 -5.704 1.00 0.00 C ATOM 426 NH1 ARG A 26 7.991 -14.921 -4.980 1.00 0.00 N ATOM 427 NH2 ARG A 26 6.934 -15.312 -7.006 1.00 0.00 N ATOM 0 H ARG A 26 7.154 -11.966 0.602 1.00 0.00 H new ATOM 0 HA ARG A 26 4.980 -12.427 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.084 -12.097 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.306 -13.793 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.484 -13.069 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.566 -12.794 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.238 -15.349 -3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.505 -15.301 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 26 4.832 -15.222 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.930 -14.761 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.902 -14.942 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.080 -15.449 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.841 -15.334 -7.472 1.00 0.00 H new ATOM 441 N GLU A 27 5.364 -14.071 0.931 1.00 0.00 N ATOM 442 CA GLU A 27 5.339 -15.243 1.790 1.00 0.00 C ATOM 443 C GLU A 27 4.359 -15.033 2.945 1.00 0.00 C ATOM 444 O GLU A 27 3.996 -13.900 3.259 1.00 0.00 O ATOM 445 CB GLU A 27 6.740 -15.569 2.312 1.00 0.00 C ATOM 446 CG GLU A 27 6.914 -17.076 2.510 1.00 0.00 C ATOM 447 CD GLU A 27 7.051 -17.421 3.994 1.00 0.00 C ATOM 448 OE1 GLU A 27 8.193 -17.128 4.519 1.00 0.00 O ATOM 449 OE2 GLU A 27 6.104 -17.945 4.600 1.00 0.00 O ATOM 0 H GLU A 27 4.785 -13.295 1.252 1.00 0.00 H new ATOM 0 HA GLU A 27 4.999 -16.095 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.488 -15.202 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.909 -15.052 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.058 -17.603 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.797 -17.418 1.970 1.00 0.00 H new ATOM 456 N SER A 28 3.957 -16.143 3.547 1.00 0.00 N ATOM 457 CA SER A 28 3.025 -16.095 4.661 1.00 0.00 C ATOM 458 C SER A 28 1.615 -15.794 4.151 1.00 0.00 C ATOM 459 O SER A 28 1.441 -15.372 3.009 1.00 0.00 O ATOM 460 CB SER A 28 3.452 -15.048 5.692 1.00 0.00 C ATOM 461 OG SER A 28 3.716 -15.629 6.966 1.00 0.00 O ATOM 0 H SER A 28 4.260 -17.081 3.284 1.00 0.00 H new ATOM 0 HA SER A 28 3.027 -17.069 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.344 -14.533 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.668 -14.297 5.792 1.00 0.00 H new ATOM 0 HG SER A 28 3.987 -14.928 7.595 1.00 0.00 H new ATOM 467 N PRO A 29 0.618 -16.029 5.046 1.00 0.00 N ATOM 468 CA PRO A 29 -0.772 -15.788 4.698 1.00 0.00 C ATOM 469 C PRO A 29 -1.083 -14.290 4.693 1.00 0.00 C ATOM 470 O PRO A 29 -0.424 -13.512 5.382 1.00 0.00 O ATOM 471 CB PRO A 29 -1.576 -16.558 5.733 1.00 0.00 C ATOM 472 CG PRO A 29 -0.625 -16.818 6.890 1.00 0.00 C ATOM 473 CD PRO A 29 0.787 -16.530 6.407 1.00 0.00 C ATOM 0 HA PRO A 29 -1.018 -16.125 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.442 -15.984 6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.952 -17.493 5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.875 -16.182 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.709 -17.851 7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.280 -15.794 7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.403 -17.429 6.424 1.00 0.00 H new ATOM 481 N LEU A 30 -2.088 -13.929 3.907 1.00 0.00 N ATOM 482 CA LEU A 30 -2.495 -12.538 3.803 1.00 0.00 C ATOM 483 C LEU A 30 -3.669 -12.283 4.749 1.00 0.00 C ATOM 484 O LEU A 30 -3.946 -11.138 5.106 1.00 0.00 O ATOM 485 CB LEU A 30 -2.788 -12.173 2.346 1.00 0.00 C ATOM 486 CG LEU A 30 -4.186 -12.526 1.835 1.00 0.00 C ATOM 487 CD1 LEU A 30 -5.080 -11.285 1.784 1.00 0.00 C ATOM 488 CD2 LEU A 30 -4.112 -13.235 0.481 1.00 0.00 C ATOM 0 H LEU A 30 -2.632 -14.576 3.336 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.685 -11.879 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.638 -11.100 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.054 -12.672 1.713 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.641 -13.223 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.068 -11.563 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.170 -10.860 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.639 -10.546 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.119 -13.475 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.629 -12.582 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.535 -14.154 0.583 1.00 0.00 H new ATOM 500 N VAL A 31 -4.329 -13.367 5.129 1.00 0.00 N ATOM 501 CA VAL A 31 -5.468 -13.275 6.027 1.00 0.00 C ATOM 502 C VAL A 31 -5.088 -12.423 7.239 1.00 0.00 C ATOM 503 O VAL A 31 -5.816 -11.504 7.610 1.00 0.00 O ATOM 504 CB VAL A 31 -5.949 -14.676 6.407 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.331 -14.741 7.888 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.115 -15.115 5.520 1.00 0.00 C ATOM 0 H VAL A 31 -4.097 -14.314 4.831 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.305 -12.782 5.533 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.124 -15.370 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.670 -15.748 8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.463 -14.492 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.132 -14.030 8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.438 -16.115 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.944 -14.417 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.795 -15.126 4.478 1.00 0.00 H new ATOM 516 N PRO A 32 -3.917 -12.768 7.839 1.00 0.00 N ATOM 517 CA PRO A 32 -3.431 -12.045 9.003 1.00 0.00 C ATOM 518 C PRO A 32 -2.865 -10.681 8.604 1.00 0.00 C ATOM 519 O PRO A 32 -3.507 -9.653 8.812 1.00 0.00 O ATOM 520 CB PRO A 32 -2.390 -12.960 9.628 1.00 0.00 C ATOM 521 CG PRO A 32 -1.998 -13.948 8.542 1.00 0.00 C ATOM 522 CD PRO A 32 -3.028 -13.850 7.428 1.00 0.00 C ATOM 0 HA PRO A 32 -4.222 -11.817 9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.525 -12.392 9.970 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.796 -13.476 10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.002 -13.722 8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.964 -14.961 8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.556 -13.632 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.573 -14.787 7.309 1.00 0.00 H new ATOM 530 N ILE A 33 -1.668 -10.715 8.037 1.00 0.00 N ATOM 531 CA ILE A 33 -1.008 -9.494 7.607 1.00 0.00 C ATOM 532 C ILE A 33 -2.038 -8.561 6.967 1.00 0.00 C ATOM 533 O ILE A 33 -1.909 -7.341 7.046 1.00 0.00 O ATOM 534 CB ILE A 33 0.178 -9.818 6.696 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.167 -8.652 6.647 1.00 0.00 C ATOM 536 CG2 ILE A 33 -0.298 -10.225 5.300 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.376 -8.921 7.545 1.00 0.00 C ATOM 0 H ILE A 33 -1.138 -11.569 7.865 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.588 -8.966 8.463 1.00 0.00 H new ATOM 0 HB ILE A 33 0.708 -10.672 7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.499 -8.495 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.670 -7.735 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.565 -10.450 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.932 -11.108 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.866 -9.407 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.064 -8.077 7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.042 -9.053 8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.885 -9.825 7.209 1.00 0.00 H new ATOM 549 N GLY A 34 -3.037 -9.171 6.347 1.00 0.00 N ATOM 550 CA GLY A 34 -4.089 -8.410 5.694 1.00 0.00 C ATOM 551 C GLY A 34 -5.029 -7.779 6.723 1.00 0.00 C ATOM 552 O GLY A 34 -5.329 -6.589 6.647 1.00 0.00 O ATOM 0 H GLY A 34 -3.141 -10.184 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.647 -7.630 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.656 -9.062 5.030 1.00 0.00 H new ATOM 556 N LEU A 35 -5.466 -8.605 7.662 1.00 0.00 N ATOM 557 CA LEU A 35 -6.366 -8.142 8.706 1.00 0.00 C ATOM 558 C LEU A 35 -5.733 -6.950 9.427 1.00 0.00 C ATOM 559 O LEU A 35 -6.361 -5.902 9.570 1.00 0.00 O ATOM 560 CB LEU A 35 -6.744 -9.295 9.638 1.00 0.00 C ATOM 561 CG LEU A 35 -8.231 -9.650 9.696 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.705 -10.246 8.369 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.527 -10.575 10.879 1.00 0.00 C ATOM 0 H LEU A 35 -5.214 -9.592 7.722 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.303 -7.792 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.191 -10.182 9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.411 -9.046 10.645 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.796 -8.732 9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.765 -10.489 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.550 -9.522 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.138 -11.152 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.591 -10.812 10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.952 -11.495 10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.250 -10.077 11.808 1.00 0.00 H new ATOM 575 N GLY A 36 -4.498 -7.150 9.862 1.00 0.00 N ATOM 576 CA GLY A 36 -3.774 -6.105 10.565 1.00 0.00 C ATOM 577 C GLY A 36 -3.614 -4.863 9.686 1.00 0.00 C ATOM 578 O GLY A 36 -4.163 -3.806 9.993 1.00 0.00 O ATOM 0 H GLY A 36 -3.980 -8.020 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.305 -5.842 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.792 -6.474 10.862 1.00 0.00 H new ATOM 582 N GLY A 37 -2.858 -5.031 8.611 1.00 0.00 N ATOM 583 CA GLY A 37 -2.619 -3.936 7.685 1.00 0.00 C ATOM 584 C GLY A 37 -3.937 -3.301 7.236 1.00 0.00 C ATOM 585 O GLY A 37 -3.952 -2.167 6.758 1.00 0.00 O ATOM 0 H GLY A 37 -2.403 -5.909 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.992 -3.182 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.073 -4.302 6.816 1.00 0.00 H new ATOM 589 N CYS A 38 -5.010 -4.059 7.405 1.00 0.00 N ATOM 590 CA CYS A 38 -6.329 -3.584 7.022 1.00 0.00 C ATOM 591 C CYS A 38 -6.805 -2.584 8.078 1.00 0.00 C ATOM 592 O CYS A 38 -7.256 -1.490 7.744 1.00 0.00 O ATOM 593 CB CYS A 38 -7.317 -4.739 6.844 1.00 0.00 C ATOM 594 SG CYS A 38 -7.292 -5.321 5.110 1.00 0.00 S ATOM 0 H CYS A 38 -4.993 -4.998 7.802 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.272 -3.088 6.053 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.057 -5.558 7.515 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.322 -4.414 7.113 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.288 -6.128 4.938 1.00 0.00 H new ATOM 600 N LEU A 39 -6.687 -2.996 9.332 1.00 0.00 N ATOM 601 CA LEU A 39 -7.099 -2.150 10.439 1.00 0.00 C ATOM 602 C LEU A 39 -6.214 -0.903 10.480 1.00 0.00 C ATOM 603 O LEU A 39 -6.629 0.141 10.980 1.00 0.00 O ATOM 604 CB LEU A 39 -7.103 -2.944 11.748 1.00 0.00 C ATOM 605 CG LEU A 39 -8.388 -2.867 12.575 1.00 0.00 C ATOM 606 CD1 LEU A 39 -9.514 -3.665 11.914 1.00 0.00 C ATOM 607 CD2 LEU A 39 -8.139 -3.313 14.017 1.00 0.00 C ATOM 0 H LEU A 39 -6.312 -3.904 9.606 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.124 -1.809 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.906 -3.991 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.276 -2.593 12.365 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.710 -1.826 12.611 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.416 -3.594 12.522 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.713 -3.260 10.922 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.217 -4.710 11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.068 -3.249 14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.781 -4.342 14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.390 -2.666 14.474 1.00 0.00 H new ATOM 619 N VAL A 40 -5.011 -1.053 9.946 1.00 0.00 N ATOM 620 CA VAL A 40 -4.063 0.049 9.915 1.00 0.00 C ATOM 621 C VAL A 40 -4.494 1.056 8.847 1.00 0.00 C ATOM 622 O VAL A 40 -4.921 2.163 9.170 1.00 0.00 O ATOM 623 CB VAL A 40 -2.646 -0.486 9.696 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.656 0.660 9.476 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.209 -1.373 10.863 1.00 0.00 C ATOM 0 H VAL A 40 -4.670 -1.920 9.531 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.054 0.573 10.871 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.654 -1.099 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.656 0.253 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.953 1.234 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.653 1.311 10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.199 -1.740 10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.225 -0.794 11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.891 -2.218 10.953 1.00 0.00 H new ATOM 635 N VAL A 41 -4.367 0.636 7.597 1.00 0.00 N ATOM 636 CA VAL A 41 -4.737 1.488 6.480 1.00 0.00 C ATOM 637 C VAL A 41 -6.157 2.017 6.697 1.00 0.00 C ATOM 638 O VAL A 41 -6.438 3.181 6.418 1.00 0.00 O ATOM 639 CB VAL A 41 -4.579 0.723 5.164 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.333 -0.607 5.208 1.00 0.00 C ATOM 641 CG2 VAL A 41 -5.036 1.574 3.977 1.00 0.00 C ATOM 0 H VAL A 41 -4.013 -0.283 7.333 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.073 2.351 6.421 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.520 0.502 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.204 -1.130 4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.940 -1.221 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.393 -0.419 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.913 1.007 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.086 1.840 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.435 2.482 3.928 1.00 0.00 H new ATOM 651 N ALA A 42 -7.013 1.135 7.191 1.00 0.00 N ATOM 652 CA ALA A 42 -8.396 1.499 7.448 1.00 0.00 C ATOM 653 C ALA A 42 -8.445 2.544 8.565 1.00 0.00 C ATOM 654 O ALA A 42 -9.151 3.545 8.452 1.00 0.00 O ATOM 655 CB ALA A 42 -9.200 0.242 7.790 1.00 0.00 C ATOM 0 H ALA A 42 -6.776 0.170 7.420 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.847 1.943 6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.237 0.515 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.158 -0.456 6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.778 -0.230 8.677 1.00 0.00 H new ATOM 661 N ALA A 43 -7.687 2.274 9.618 1.00 0.00 N ATOM 662 CA ALA A 43 -7.636 3.179 10.754 1.00 0.00 C ATOM 663 C ALA A 43 -7.344 4.596 10.258 1.00 0.00 C ATOM 664 O ALA A 43 -8.014 5.547 10.657 1.00 0.00 O ATOM 665 CB ALA A 43 -6.589 2.683 11.753 1.00 0.00 C ATOM 0 H ALA A 43 -7.104 1.442 9.708 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.595 3.202 11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.550 3.361 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.858 1.684 12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.612 2.650 11.270 1.00 0.00 H new ATOM 671 N TYR A 44 -6.342 4.693 9.396 1.00 0.00 N ATOM 672 CA TYR A 44 -5.954 5.979 8.842 1.00 0.00 C ATOM 673 C TYR A 44 -7.081 6.576 7.998 1.00 0.00 C ATOM 674 O TYR A 44 -7.414 7.751 8.142 1.00 0.00 O ATOM 675 CB TYR A 44 -4.749 5.703 7.940 1.00 0.00 C ATOM 676 CG TYR A 44 -3.397 5.910 8.626 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.928 7.188 8.854 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.647 4.820 9.018 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.656 7.384 9.500 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.375 5.015 9.663 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.942 6.287 9.873 1.00 0.00 C ATOM 682 OH TYR A 44 0.259 6.472 10.483 1.00 0.00 O ATOM 0 H TYR A 44 -5.788 3.902 9.068 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.727 6.687 9.639 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.807 4.677 7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.805 6.353 7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.515 8.041 8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.015 3.820 8.841 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.277 8.379 9.684 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.778 4.170 9.973 1.00 0.00 H new ATOM 0 HH TYR A 44 0.656 5.601 10.694 1.00 0.00 H new ATOM 692 N ARG A 45 -7.638 5.739 7.135 1.00 0.00 N ATOM 693 CA ARG A 45 -8.722 6.169 6.267 1.00 0.00 C ATOM 694 C ARG A 45 -9.844 6.800 7.093 1.00 0.00 C ATOM 695 O ARG A 45 -10.215 7.951 6.868 1.00 0.00 O ATOM 696 CB ARG A 45 -9.285 4.994 5.466 1.00 0.00 C ATOM 697 CG ARG A 45 -9.439 5.361 3.989 1.00 0.00 C ATOM 698 CD ARG A 45 -9.718 4.118 3.141 1.00 0.00 C ATOM 699 NE ARG A 45 -11.039 3.552 3.493 1.00 0.00 N ATOM 700 CZ ARG A 45 -11.699 2.645 2.740 1.00 0.00 C ATOM 701 NH1 ARG A 45 -11.164 2.194 1.586 1.00 0.00 N ATOM 702 NH2 ARG A 45 -12.874 2.207 3.150 1.00 0.00 N ATOM 0 H ARG A 45 -7.359 4.765 7.018 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.319 6.906 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.624 4.133 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.252 4.701 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.253 6.076 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.531 5.850 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.694 4.377 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.939 3.374 3.305 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.479 3.866 4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.255 2.538 1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.669 1.509 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.271 2.553 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.386 1.522 2.593 1.00 0.00 H new ATOM 716 N ILE A 46 -10.355 6.018 8.033 1.00 0.00 N ATOM 717 CA ILE A 46 -11.428 6.485 8.894 1.00 0.00 C ATOM 718 C ILE A 46 -11.025 7.819 9.525 1.00 0.00 C ATOM 719 O ILE A 46 -11.660 8.844 9.279 1.00 0.00 O ATOM 720 CB ILE A 46 -11.803 5.410 9.916 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.310 4.145 9.219 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.811 5.947 10.933 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.225 2.934 10.151 1.00 0.00 C ATOM 0 H ILE A 46 -10.045 5.064 8.217 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.331 6.666 8.312 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.904 5.136 10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.342 4.290 8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.721 3.959 8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.060 5.162 11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.377 6.795 11.462 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.715 6.267 10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.591 2.049 9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.189 2.777 10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.835 3.113 11.037 1.00 0.00 H new ATOM 735 N TYR A 47 -9.972 7.764 10.328 1.00 0.00 N ATOM 736 CA TYR A 47 -9.477 8.955 10.996 1.00 0.00 C ATOM 737 C TYR A 47 -9.524 10.167 10.063 1.00 0.00 C ATOM 738 O TYR A 47 -10.086 11.203 10.414 1.00 0.00 O ATOM 739 CB TYR A 47 -8.020 8.661 11.358 1.00 0.00 C ATOM 740 CG TYR A 47 -7.758 8.573 12.863 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.875 9.700 13.651 1.00 0.00 C ATOM 742 CD2 TYR A 47 -7.404 7.366 13.432 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.628 9.617 15.067 1.00 0.00 C ATOM 744 CE2 TYR A 47 -7.157 7.284 14.849 1.00 0.00 C ATOM 745 CZ TYR A 47 -7.282 8.413 15.596 1.00 0.00 C ATOM 746 OH TYR A 47 -7.049 8.335 16.934 1.00 0.00 O ATOM 0 H TYR A 47 -9.448 6.913 10.531 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.086 9.186 11.870 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.723 7.721 10.892 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.387 9.440 10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.152 10.644 13.206 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.312 6.484 12.815 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.716 10.491 15.695 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.879 6.347 15.308 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.812 7.414 17.172 1.00 0.00 H new ATOM 756 N ARG A 48 -8.926 9.996 8.894 1.00 0.00 N ATOM 757 CA ARG A 48 -8.892 11.063 7.908 1.00 0.00 C ATOM 758 C ARG A 48 -10.298 11.623 7.683 1.00 0.00 C ATOM 759 O ARG A 48 -10.523 12.823 7.834 1.00 0.00 O ATOM 760 CB ARG A 48 -8.331 10.564 6.575 1.00 0.00 C ATOM 761 CG ARG A 48 -7.563 11.673 5.853 1.00 0.00 C ATOM 762 CD ARG A 48 -8.468 12.412 4.865 1.00 0.00 C ATOM 763 NE ARG A 48 -7.648 13.070 3.823 1.00 0.00 N ATOM 764 CZ ARG A 48 -8.131 13.958 2.928 1.00 0.00 C ATOM 765 NH1 ARG A 48 -9.437 14.301 2.940 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.308 14.485 2.041 1.00 0.00 N ATOM 0 H ARG A 48 -8.461 9.135 8.607 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.241 11.848 8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.671 9.714 6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.146 10.210 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.163 12.377 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.712 11.245 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.164 11.712 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.066 13.155 5.392 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.656 12.838 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.066 13.888 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.794 14.973 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.323 14.220 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.657 15.157 1.358 1.00 0.00 H new ATOM 780 N LEU A 49 -11.207 10.728 7.327 1.00 0.00 N ATOM 781 CA LEU A 49 -12.585 11.118 7.081 1.00 0.00 C ATOM 782 C LEU A 49 -13.110 11.906 8.282 1.00 0.00 C ATOM 783 O LEU A 49 -13.418 13.091 8.165 1.00 0.00 O ATOM 784 CB LEU A 49 -13.434 9.894 6.729 1.00 0.00 C ATOM 785 CG LEU A 49 -14.176 9.953 5.393 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.530 8.549 4.899 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.409 10.854 5.490 1.00 0.00 C ATOM 0 H LEU A 49 -11.016 9.734 7.203 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.645 11.778 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.787 9.017 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.166 9.745 7.522 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.510 10.396 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.057 8.620 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.617 7.969 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.169 8.056 5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.918 10.879 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.087 10.463 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.101 11.863 5.764 1.00 0.00 H new ATOM 799 N ARG A 50 -13.197 11.216 9.410 1.00 0.00 N ATOM 800 CA ARG A 50 -13.679 11.836 10.632 1.00 0.00 C ATOM 801 C ARG A 50 -12.899 13.121 10.919 1.00 0.00 C ATOM 802 O ARG A 50 -11.787 13.072 11.443 1.00 0.00 O ATOM 803 CB ARG A 50 -13.541 10.887 11.824 1.00 0.00 C ATOM 804 CG ARG A 50 -14.750 10.996 12.755 1.00 0.00 C ATOM 805 CD ARG A 50 -15.848 10.012 12.347 1.00 0.00 C ATOM 806 NE ARG A 50 -16.037 8.997 13.407 1.00 0.00 N ATOM 807 CZ ARG A 50 -17.188 8.320 13.610 1.00 0.00 C ATOM 808 NH1 ARG A 50 -18.263 8.545 12.824 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.246 7.435 14.587 1.00 0.00 N ATOM 0 H ARG A 50 -12.942 10.233 9.503 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.734 12.071 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.443 9.862 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.630 11.121 12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.442 10.797 13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.141 12.013 12.731 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.782 10.547 12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.581 9.525 11.409 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.249 8.796 14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.209 9.230 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.129 8.030 12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.429 7.271 15.175 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.108 6.915 14.754 1.00 0.00 H new ATOM 1045 N ARG A 65 5.534 13.290 7.833 1.00 0.00 N ATOM 1046 CA ARG A 65 6.010 12.438 6.756 1.00 0.00 C ATOM 1047 C ARG A 65 5.318 11.075 6.812 1.00 0.00 C ATOM 1048 O ARG A 65 5.132 10.427 5.783 1.00 0.00 O ATOM 1049 CB ARG A 65 7.525 12.237 6.843 1.00 0.00 C ATOM 1050 CG ARG A 65 8.118 11.942 5.464 1.00 0.00 C ATOM 1051 CD ARG A 65 9.350 12.810 5.199 1.00 0.00 C ATOM 1052 NE ARG A 65 10.554 11.957 5.081 1.00 0.00 N ATOM 1053 CZ ARG A 65 11.114 11.291 6.112 1.00 0.00 C ATOM 1054 NH1 ARG A 65 10.582 11.372 7.350 1.00 0.00 N ATOM 1055 NH2 ARG A 65 12.189 10.558 5.892 1.00 0.00 N ATOM 0 HA ARG A 65 5.773 12.931 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.991 13.130 7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.748 11.414 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.390 10.889 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.368 12.125 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.210 13.385 4.283 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.481 13.528 6.009 1.00 0.00 H new ATOM 0 HE ARG A 65 10.988 11.867 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.750 11.940 7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.012 10.865 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.584 10.501 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.625 10.048 6.661 1.00 0.00 H new ATOM 1069 N VAL A 66 4.955 10.680 8.024 1.00 0.00 N ATOM 1070 CA VAL A 66 4.287 9.406 8.227 1.00 0.00 C ATOM 1071 C VAL A 66 3.133 9.276 7.231 1.00 0.00 C ATOM 1072 O VAL A 66 3.129 8.374 6.395 1.00 0.00 O ATOM 1073 CB VAL A 66 3.837 9.278 9.684 1.00 0.00 C ATOM 1074 CG1 VAL A 66 2.912 8.072 9.867 1.00 0.00 C ATOM 1075 CG2 VAL A 66 5.041 9.193 10.624 1.00 0.00 C ATOM 0 H VAL A 66 5.111 11.220 8.875 1.00 0.00 H new ATOM 0 HA VAL A 66 4.973 8.580 8.039 1.00 0.00 H new ATOM 0 HB VAL A 66 3.274 10.175 9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.606 8.003 10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.030 8.191 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.440 7.162 9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.693 9.103 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.643 8.322 10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.646 10.094 10.523 1.00 0.00 H new ATOM 1085 N ALA A 67 2.181 10.190 7.354 1.00 0.00 N ATOM 1086 CA ALA A 67 1.024 10.188 6.475 1.00 0.00 C ATOM 1087 C ALA A 67 1.474 9.871 5.047 1.00 0.00 C ATOM 1088 O ALA A 67 1.062 8.864 4.472 1.00 0.00 O ATOM 1089 CB ALA A 67 0.306 11.536 6.574 1.00 0.00 C ATOM 0 H ALA A 67 2.188 10.937 8.049 1.00 0.00 H new ATOM 0 HA ALA A 67 0.315 9.417 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.562 11.535 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.019 11.701 7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.987 12.334 6.276 1.00 0.00 H new ATOM 1095 N ALA A 68 2.314 10.747 4.517 1.00 0.00 N ATOM 1096 CA ALA A 68 2.824 10.573 3.167 1.00 0.00 C ATOM 1097 C ALA A 68 3.195 9.104 2.953 1.00 0.00 C ATOM 1098 O ALA A 68 2.678 8.456 2.045 1.00 0.00 O ATOM 1099 CB ALA A 68 4.010 11.513 2.944 1.00 0.00 C ATOM 0 H ALA A 68 2.655 11.580 4.998 1.00 0.00 H new ATOM 0 HA ALA A 68 2.062 10.831 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.392 11.382 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.687 12.545 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.797 11.282 3.662 1.00 0.00 H new ATOM 1105 N GLN A 69 4.089 8.623 3.805 1.00 0.00 N ATOM 1106 CA GLN A 69 4.535 7.242 3.720 1.00 0.00 C ATOM 1107 C GLN A 69 3.333 6.300 3.628 1.00 0.00 C ATOM 1108 O GLN A 69 3.164 5.599 2.632 1.00 0.00 O ATOM 1109 CB GLN A 69 5.426 6.880 4.910 1.00 0.00 C ATOM 1110 CG GLN A 69 6.413 5.772 4.538 1.00 0.00 C ATOM 1111 CD GLN A 69 7.549 6.318 3.670 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.338 7.021 2.696 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.763 5.955 4.077 1.00 0.00 N ATOM 0 H GLN A 69 4.516 9.164 4.557 1.00 0.00 H new ATOM 0 HA GLN A 69 5.130 7.128 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.973 7.763 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.807 6.555 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.824 5.327 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.890 4.979 4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.869 5.364 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.587 6.268 3.564 1.00 0.00 H new ATOM 1122 N ALA A 70 2.529 6.315 4.681 1.00 0.00 N ATOM 1123 CA ALA A 70 1.348 5.470 4.732 1.00 0.00 C ATOM 1124 C ALA A 70 0.620 5.536 3.388 1.00 0.00 C ATOM 1125 O ALA A 70 -0.032 4.575 2.983 1.00 0.00 O ATOM 1126 CB ALA A 70 0.458 5.906 5.898 1.00 0.00 C ATOM 0 H ALA A 70 2.672 6.899 5.505 1.00 0.00 H new ATOM 0 HA ALA A 70 1.628 4.431 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.428 5.272 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.011 5.813 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.156 6.944 5.757 1.00 0.00 H new ATOM 1132 N CYS A 71 0.757 6.680 2.733 1.00 0.00 N ATOM 1133 CA CYS A 71 0.121 6.884 1.442 1.00 0.00 C ATOM 1134 C CYS A 71 0.839 6.013 0.410 1.00 0.00 C ATOM 1135 O CYS A 71 0.217 5.176 -0.242 1.00 0.00 O ATOM 1136 CB CYS A 71 0.118 8.360 1.040 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.517 8.820 0.361 1.00 0.00 S ATOM 0 H CYS A 71 1.299 7.475 3.072 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.927 6.589 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.350 8.981 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.894 8.545 0.298 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.510 10.076 0.025 1.00 0.00 H new ATOM 1143 N ALA A 72 2.139 6.239 0.293 1.00 0.00 N ATOM 1144 CA ALA A 72 2.949 5.485 -0.649 1.00 0.00 C ATOM 1145 C ALA A 72 2.756 3.988 -0.397 1.00 0.00 C ATOM 1146 O ALA A 72 2.178 3.285 -1.224 1.00 0.00 O ATOM 1147 CB ALA A 72 4.412 5.914 -0.522 1.00 0.00 C ATOM 0 H ALA A 72 2.652 6.934 0.835 1.00 0.00 H new ATOM 0 HA ALA A 72 2.637 5.690 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.020 5.349 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.499 6.979 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.761 5.721 0.492 1.00 0.00 H new ATOM 1153 N VAL A 73 3.252 3.545 0.750 1.00 0.00 N ATOM 1154 CA VAL A 73 3.141 2.145 1.121 1.00 0.00 C ATOM 1155 C VAL A 73 1.689 1.692 0.960 1.00 0.00 C ATOM 1156 O VAL A 73 1.404 0.766 0.202 1.00 0.00 O ATOM 1157 CB VAL A 73 3.679 1.935 2.538 1.00 0.00 C ATOM 1158 CG1 VAL A 73 3.481 0.487 2.991 1.00 0.00 C ATOM 1159 CG2 VAL A 73 5.150 2.344 2.632 1.00 0.00 C ATOM 0 H VAL A 73 3.731 4.131 1.434 1.00 0.00 H new ATOM 0 HA VAL A 73 3.749 1.526 0.461 1.00 0.00 H new ATOM 0 HB VAL A 73 3.110 2.576 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.872 0.365 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.418 0.245 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.012 -0.182 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.508 2.185 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.740 1.741 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.252 3.398 2.372 1.00 0.00 H new ATOM 1169 N GLY A 74 0.808 2.366 1.685 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.608 2.045 1.631 1.00 0.00 C ATOM 1171 C GLY A 74 -1.052 1.760 0.195 1.00 0.00 C ATOM 1172 O GLY A 74 -1.764 0.790 -0.058 1.00 0.00 O ATOM 0 H GLY A 74 1.048 3.133 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.812 1.176 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.188 2.874 2.037 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.612 2.624 -0.708 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.956 2.478 -2.113 1.00 0.00 C ATOM 1178 C ALA A 75 -0.436 1.132 -2.623 1.00 0.00 C ATOM 1179 O ALA A 75 -1.217 0.285 -3.053 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.388 3.659 -2.903 1.00 0.00 C ATOM 0 H ALA A 75 -0.021 3.427 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.038 2.486 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.646 3.550 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.809 4.589 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.696 3.681 -2.795 1.00 0.00 H new ATOM 1186 N ILE A 76 0.878 0.978 -2.558 1.00 0.00 N ATOM 1187 CA ILE A 76 1.511 -0.250 -3.008 1.00 0.00 C ATOM 1188 C ILE A 76 0.806 -1.447 -2.365 1.00 0.00 C ATOM 1189 O ILE A 76 0.114 -2.202 -3.046 1.00 0.00 O ATOM 1190 CB ILE A 76 3.016 -0.207 -2.740 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.684 0.912 -3.542 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.661 -1.568 -3.009 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.760 1.615 -2.711 1.00 0.00 C ATOM 0 H ILE A 76 1.522 1.683 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 76 1.406 -0.359 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 76 3.168 0.018 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.130 0.499 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.933 1.636 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.731 -1.509 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.212 -2.318 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.500 -1.848 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.219 2.406 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.306 2.047 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.522 0.893 -2.417 1.00 0.00 H new ATOM 1205 N MET A 77 1.007 -1.582 -1.063 1.00 0.00 N ATOM 1206 CA MET A 77 0.399 -2.673 -0.321 1.00 0.00 C ATOM 1207 C MET A 77 -1.038 -2.917 -0.784 1.00 0.00 C ATOM 1208 O MET A 77 -1.368 -4.007 -1.251 1.00 0.00 O ATOM 1209 CB MET A 77 0.406 -2.342 1.173 1.00 0.00 C ATOM 1210 CG MET A 77 0.078 -3.580 2.010 1.00 0.00 C ATOM 1211 SD MET A 77 -0.228 -3.107 3.704 1.00 0.00 S ATOM 1212 CE MET A 77 -1.754 -3.985 4.000 1.00 0.00 C ATOM 0 H MET A 77 1.583 -0.954 -0.502 1.00 0.00 H new ATOM 0 HA MET A 77 0.978 -3.578 -0.503 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.384 -1.954 1.459 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.321 -1.556 1.379 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.797 -4.085 1.601 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.905 -4.289 1.965 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.405 -3.381 4.632 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.251 -4.181 3.050 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.539 -4.930 4.499 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.856 -1.885 -0.638 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.251 -1.974 -1.036 1.00 0.00 C ATOM 1224 C LEU A 78 -3.345 -2.655 -2.402 1.00 0.00 C ATOM 1225 O LEU A 78 -3.891 -3.752 -2.517 1.00 0.00 O ATOM 1226 CB LEU A 78 -3.910 -0.594 -0.990 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.411 -0.557 -1.284 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.205 -0.161 -0.038 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.715 0.359 -2.472 1.00 0.00 C ATOM 0 H LEU A 78 -1.580 -0.983 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.809 -2.592 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.743 -0.166 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.404 0.053 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.729 -1.562 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.269 -0.142 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.023 -0.886 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.890 0.828 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.789 0.367 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.378 1.371 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.195 -0.008 -3.357 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.806 -1.977 -3.404 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.822 -2.503 -4.759 1.00 0.00 C ATOM 1243 C GLY A 79 -2.611 -4.018 -4.761 1.00 0.00 C ATOM 1244 O GLY A 79 -3.405 -4.759 -5.339 1.00 0.00 O ATOM 0 H GLY A 79 -2.355 -1.067 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.773 -2.264 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.041 -2.023 -5.349 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.536 -4.435 -4.108 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.211 -5.849 -4.027 1.00 0.00 C ATOM 1250 C ALA A 80 -2.389 -6.604 -3.409 1.00 0.00 C ATOM 1251 O ALA A 80 -2.818 -7.630 -3.935 1.00 0.00 O ATOM 1252 CB ALA A 80 0.082 -6.030 -3.229 1.00 0.00 C ATOM 0 H ALA A 80 -0.879 -3.818 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.041 -6.262 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.326 -7.090 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.894 -5.499 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.052 -5.630 -2.224 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.878 -6.069 -2.300 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.998 -6.680 -1.605 1.00 0.00 C ATOM 1260 C VAL A 81 -5.163 -6.858 -2.580 1.00 0.00 C ATOM 1261 O VAL A 81 -5.591 -7.980 -2.843 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.369 -5.846 -0.376 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.667 -6.351 0.257 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.229 -5.835 0.643 1.00 0.00 C ATOM 0 H VAL A 81 -2.519 -5.219 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.726 -7.670 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.534 -4.820 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.908 -5.742 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.477 -6.282 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.542 -7.389 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.518 -5.236 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.018 -6.855 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.337 -5.406 0.186 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.643 -5.733 -3.091 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.750 -5.750 -4.032 1.00 0.00 C ATOM 1276 C TYR A 82 -6.561 -6.848 -5.081 1.00 0.00 C ATOM 1277 O TYR A 82 -7.495 -7.588 -5.386 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.733 -4.388 -4.728 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.073 -3.991 -5.350 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -9.105 -3.553 -4.545 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.250 -4.071 -6.717 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -10.367 -3.179 -5.131 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.512 -3.697 -7.302 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.507 -3.270 -6.481 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.699 -2.916 -7.034 1.00 0.00 O ATOM 0 H TYR A 82 -5.285 -4.804 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.690 -5.944 -3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.439 -3.626 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.971 -4.399 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.967 -3.491 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.443 -4.414 -7.347 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.183 -2.834 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.664 -3.755 -8.370 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.655 -3.030 -8.006 1.00 0.00 H new ATOM 1295 N THR A 83 -5.345 -6.920 -5.603 1.00 0.00 N ATOM 1296 CA THR A 83 -5.021 -7.915 -6.611 1.00 0.00 C ATOM 1297 C THR A 83 -5.329 -9.321 -6.091 1.00 0.00 C ATOM 1298 O THR A 83 -6.031 -10.089 -6.747 1.00 0.00 O ATOM 1299 CB THR A 83 -3.557 -7.722 -7.012 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.571 -6.551 -7.824 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.059 -8.822 -7.953 1.00 0.00 C ATOM 0 H THR A 83 -4.572 -6.305 -5.347 1.00 0.00 H new ATOM 0 HA THR A 83 -5.636 -7.791 -7.502 1.00 0.00 H new ATOM 0 HB THR A 83 -2.935 -7.700 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.526 -5.756 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.015 -8.638 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.148 -9.790 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.659 -8.822 -8.863 1.00 0.00 H new ATOM 1309 N MET A 84 -4.789 -9.614 -4.917 1.00 0.00 N ATOM 1310 CA MET A 84 -4.997 -10.914 -4.302 1.00 0.00 C ATOM 1311 C MET A 84 -6.463 -11.104 -3.906 1.00 0.00 C ATOM 1312 O MET A 84 -7.174 -11.905 -4.511 1.00 0.00 O ATOM 1313 CB MET A 84 -4.112 -11.038 -3.060 1.00 0.00 C ATOM 1314 CG MET A 84 -3.407 -12.395 -3.024 1.00 0.00 C ATOM 1315 SD MET A 84 -2.261 -12.524 -4.386 1.00 0.00 S ATOM 1316 CE MET A 84 -1.121 -13.725 -3.720 1.00 0.00 C ATOM 0 H MET A 84 -4.208 -8.974 -4.376 1.00 0.00 H new ATOM 0 HA MET A 84 -4.733 -11.685 -5.026 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.371 -10.239 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.719 -10.915 -2.163 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.876 -12.513 -2.079 1.00 0.00 H new ATOM 0 HG3 MET A 84 -4.142 -13.198 -3.079 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.335 -13.923 -4.448 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.677 -13.336 -2.803 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.654 -14.650 -3.501 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.871 -10.356 -2.892 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.239 -10.432 -2.408 1.00 0.00 C ATOM 1328 C TYR A 85 -9.219 -10.634 -3.565 1.00 0.00 C ATOM 1329 O TYR A 85 -10.025 -11.563 -3.545 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.526 -9.086 -1.740 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.196 -9.201 -0.370 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -8.473 -9.653 0.716 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.523 -8.853 -0.219 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -9.104 -9.761 2.006 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -11.153 -8.961 1.071 1.00 0.00 C ATOM 1336 CZ TYR A 85 -10.413 -9.410 2.120 1.00 0.00 C ATOM 1337 OH TYR A 85 -11.009 -9.512 3.338 1.00 0.00 O ATOM 0 H TYR A 85 -6.278 -9.694 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.358 -11.272 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.589 -8.540 -1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.164 -8.495 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.435 -9.925 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.089 -8.500 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.550 -10.113 2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.190 -8.691 1.203 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.944 -9.226 3.270 1.00 0.00 H new ATOM 1347 N SER A 86 -9.118 -9.749 -4.545 1.00 0.00 N ATOM 1348 CA SER A 86 -9.986 -9.818 -5.708 1.00 0.00 C ATOM 1349 C SER A 86 -9.799 -11.158 -6.422 1.00 0.00 C ATOM 1350 O SER A 86 -10.773 -11.851 -6.714 1.00 0.00 O ATOM 1351 CB SER A 86 -9.710 -8.661 -6.671 1.00 0.00 C ATOM 1352 OG SER A 86 -10.672 -8.598 -7.720 1.00 0.00 O ATOM 0 H SER A 86 -8.448 -8.980 -4.558 1.00 0.00 H new ATOM 0 HA SER A 86 -11.019 -9.735 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.714 -7.721 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.714 -8.775 -7.099 1.00 0.00 H new ATOM 0 HG SER A 86 -10.462 -7.846 -8.312 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.541 -11.484 -6.681 1.00 0.00 N ATOM 1359 CA ASP A 87 -8.215 -12.729 -7.355 1.00 0.00 C ATOM 1360 C ASP A 87 -8.990 -13.876 -6.702 1.00 0.00 C ATOM 1361 O ASP A 87 -9.613 -14.680 -7.393 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.722 -13.042 -7.240 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.974 -13.128 -8.572 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.829 -12.004 -9.189 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.552 -14.212 -9.000 1.00 0.00 O ATOM 0 H ASP A 87 -7.736 -10.908 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.482 -12.623 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.252 -12.274 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.604 -13.989 -6.713 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.925 -13.913 -5.380 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.613 -14.948 -4.626 1.00 0.00 C ATOM 1372 C TYR A 88 -10.981 -15.255 -5.239 1.00 0.00 C ATOM 1373 O TYR A 88 -11.357 -16.418 -5.375 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.814 -14.382 -3.219 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.757 -15.435 -2.111 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -8.564 -16.063 -1.817 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -10.899 -15.756 -1.405 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -8.510 -17.054 -0.773 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -10.845 -16.747 -0.361 1.00 0.00 C ATOM 1380 CZ TYR A 88 -9.653 -17.348 -0.097 1.00 0.00 C ATOM 1381 OH TYR A 88 -9.603 -18.284 0.888 1.00 0.00 O ATOM 0 H TYR A 88 -8.407 -13.244 -4.811 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.034 -15.872 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.050 -13.628 -3.029 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.779 -13.876 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.671 -15.812 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.833 -15.264 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.583 -17.552 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.731 -17.007 0.200 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.493 -18.390 1.284 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.688 -14.191 -5.593 1.00 0.00 N ATOM 1392 CA VAL A 89 -13.005 -14.333 -6.189 1.00 0.00 C ATOM 1393 C VAL A 89 -12.952 -15.396 -7.287 1.00 0.00 C ATOM 1394 O VAL A 89 -12.174 -15.279 -8.233 1.00 0.00 O ATOM 1395 CB VAL A 89 -13.500 -12.976 -6.694 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -14.817 -13.122 -7.458 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.642 -11.980 -5.541 1.00 0.00 C ATOM 0 H VAL A 89 -11.373 -13.228 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.726 -14.671 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.754 -12.584 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -15.146 -12.143 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.670 -13.781 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -15.575 -13.547 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.995 -11.024 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.358 -12.364 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.674 -11.841 -5.059 1.00 0.00 H new