USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 23 THR OG1 : rot -62:sc= 1.29 USER MOD Single : A 24 MET CE :methyl -168:sc= -1.64 (180deg=-2.11) USER MOD Single : A 27 GLN : amide:sc= 0.419 X(o=0.42,f=-0.069) USER MOD Single : A 28 CYS SG : rot 121:sc= 0.284 USER MOD Single : A 29 SER OG : rot -44:sc= 0.141 USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0152 (180deg=-0.397) USER MOD Single : A 34 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.13) USER MOD Single : A 45 GLN : amide:sc= -0.0575 X(o=-0.058,f=-0.039) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 167:sc= -1.55 (180deg=-2.32!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 9:sc= -0.16 USER MOD Single : A 72 THR OG1 : rot 149:sc= 0.339 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0046 USER MOD Single : A 79 GLN : amide:sc= -3.18! K(o=-3.2!,f=-3.8) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0604) USER MOD Single : A 83 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.711 K(o=0.71,f=-3.9e-05) USER MOD Single : A 91 SER OG : rot 26:sc= 0.834 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.481 8.048 1.757 1.00 0.00 N ATOM 271 CA GLY A 20 14.616 7.785 0.344 1.00 0.00 C ATOM 272 C GLY A 20 14.193 6.359 0.072 1.00 0.00 C ATOM 273 O GLY A 20 13.035 6.018 0.334 1.00 0.00 O ATOM 0 HA2 GLY A 20 14.000 8.477 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.648 7.940 0.028 1.00 0.00 H new ATOM 277 N PHE A 21 15.095 5.512 -0.406 1.00 0.00 N ATOM 278 CA PHE A 21 14.838 4.116 -0.733 1.00 0.00 C ATOM 279 C PHE A 21 15.949 3.292 -0.102 1.00 0.00 C ATOM 280 O PHE A 21 17.100 3.727 -0.111 1.00 0.00 O ATOM 281 CB PHE A 21 14.829 3.908 -2.259 1.00 0.00 C ATOM 282 CG PHE A 21 13.511 4.157 -2.976 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.839 5.392 -2.872 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.969 3.151 -3.797 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.617 5.598 -3.531 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.769 3.375 -4.491 1.00 0.00 C ATOM 287 CZ PHE A 21 11.085 4.594 -4.351 1.00 0.00 C ATOM 0 H PHE A 21 16.061 5.788 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 21 13.863 3.812 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.583 4.563 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.139 2.884 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.268 6.187 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.478 2.203 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.087 6.530 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.370 2.606 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.154 4.757 -4.873 1.00 0.00 H new ATOM 297 N VAL A 22 15.616 2.109 0.407 1.00 0.00 N ATOM 298 CA VAL A 22 16.579 1.186 0.991 1.00 0.00 C ATOM 299 C VAL A 22 16.386 -0.180 0.325 1.00 0.00 C ATOM 300 O VAL A 22 15.261 -0.555 -0.034 1.00 0.00 O ATOM 301 CB VAL A 22 16.416 1.147 2.528 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.592 0.436 3.208 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.314 2.546 3.157 1.00 0.00 C ATOM 0 H VAL A 22 14.657 1.762 0.425 1.00 0.00 H new ATOM 0 HA VAL A 22 17.603 1.511 0.809 1.00 0.00 H new ATOM 0 HB VAL A 22 15.486 0.603 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.439 0.430 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.656 -0.590 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.518 0.962 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.201 2.452 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.219 3.112 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.450 3.068 2.746 1.00 0.00 H new ATOM 313 N THR A 23 17.488 -0.901 0.141 1.00 0.00 N ATOM 314 CA THR A 23 17.502 -2.276 -0.326 1.00 0.00 C ATOM 315 C THR A 23 17.104 -3.208 0.829 1.00 0.00 C ATOM 316 O THR A 23 17.298 -2.873 2.000 1.00 0.00 O ATOM 317 CB THR A 23 18.916 -2.609 -0.847 1.00 0.00 C ATOM 318 OG1 THR A 23 19.532 -1.494 -1.477 1.00 0.00 O ATOM 319 CG2 THR A 23 18.869 -3.769 -1.842 1.00 0.00 C ATOM 0 H THR A 23 18.421 -0.530 0.319 1.00 0.00 H new ATOM 0 HA THR A 23 16.788 -2.413 -1.138 1.00 0.00 H new ATOM 0 HB THR A 23 19.508 -2.888 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.003 -1.226 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.877 -3.986 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.458 -4.652 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.238 -3.497 -2.688 1.00 0.00 H new ATOM 327 N MET A 24 16.590 -4.403 0.534 1.00 0.00 N ATOM 328 CA MET A 24 16.364 -5.438 1.522 1.00 0.00 C ATOM 329 C MET A 24 17.008 -6.746 1.075 1.00 0.00 C ATOM 330 O MET A 24 17.623 -6.825 0.006 1.00 0.00 O ATOM 331 CB MET A 24 14.884 -5.593 1.898 1.00 0.00 C ATOM 332 CG MET A 24 14.014 -4.357 1.691 1.00 0.00 C ATOM 333 SD MET A 24 12.229 -4.646 1.839 1.00 0.00 S ATOM 334 CE MET A 24 12.167 -5.265 3.531 1.00 0.00 C ATOM 0 H MET A 24 16.319 -4.674 -0.411 1.00 0.00 H new ATOM 0 HA MET A 24 16.852 -5.129 2.446 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.464 -6.412 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.824 -5.885 2.946 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.306 -3.599 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.220 -3.947 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.184 -5.694 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.931 -6.031 3.666 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.349 -4.445 4.225 1.00 0.00 H new ATOM 344 N ILE A 25 16.947 -7.740 1.956 1.00 0.00 N ATOM 345 CA ILE A 25 17.771 -8.937 1.904 1.00 0.00 C ATOM 346 C ILE A 25 16.890 -10.129 2.253 1.00 0.00 C ATOM 347 O ILE A 25 16.560 -10.355 3.419 1.00 0.00 O ATOM 348 CB ILE A 25 18.972 -8.814 2.870 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.845 -7.556 2.638 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.837 -10.087 2.794 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.626 -7.526 1.318 1.00 0.00 C ATOM 0 H ILE A 25 16.304 -7.732 2.747 1.00 0.00 H new ATOM 0 HA ILE A 25 18.185 -9.072 0.905 1.00 0.00 H new ATOM 0 HB ILE A 25 18.550 -8.701 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.202 -6.677 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.554 -7.471 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.682 -9.994 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.237 -10.952 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.206 -10.216 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.203 -6.603 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.302 -8.380 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.929 -7.573 0.482 1.00 0.00 H new ATOM 363 N LEU A 26 16.508 -10.899 1.241 1.00 0.00 N ATOM 364 CA LEU A 26 15.843 -12.184 1.413 1.00 0.00 C ATOM 365 C LEU A 26 16.894 -13.284 1.312 1.00 0.00 C ATOM 366 O LEU A 26 17.757 -13.257 0.426 1.00 0.00 O ATOM 367 CB LEU A 26 14.804 -12.363 0.300 1.00 0.00 C ATOM 368 CG LEU A 26 13.387 -11.868 0.626 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.308 -10.432 1.173 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.580 -11.977 -0.673 1.00 0.00 C ATOM 0 H LEU A 26 16.654 -10.644 0.264 1.00 0.00 H new ATOM 0 HA LEU A 26 15.345 -12.231 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.157 -11.839 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.750 -13.422 0.046 1.00 0.00 H new ATOM 0 HG LEU A 26 12.992 -12.486 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.268 -10.175 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.882 -10.362 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.718 -9.740 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.560 -11.636 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.042 -11.357 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.564 -13.015 -1.005 1.00 0.00 H new ATOM 382 N GLN A 27 16.784 -14.306 2.153 1.00 0.00 N ATOM 383 CA GLN A 27 17.452 -15.585 1.961 1.00 0.00 C ATOM 384 C GLN A 27 16.400 -16.678 1.989 1.00 0.00 C ATOM 385 O GLN A 27 15.316 -16.494 2.548 1.00 0.00 O ATOM 386 CB GLN A 27 18.488 -15.837 3.059 1.00 0.00 C ATOM 387 CG GLN A 27 19.673 -14.879 2.994 1.00 0.00 C ATOM 388 CD GLN A 27 20.565 -15.138 1.785 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.459 -15.976 1.792 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.400 -14.369 0.725 1.00 0.00 N ATOM 0 H GLN A 27 16.218 -14.267 3.001 1.00 0.00 H new ATOM 0 HA GLN A 27 17.976 -15.578 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.007 -15.745 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.852 -16.861 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.306 -13.853 2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 27 20.264 -14.974 3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.658 -13.670 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.015 -14.474 -0.082 1.00 0.00 H new ATOM 399 N CYS A 28 16.740 -17.806 1.376 1.00 0.00 N ATOM 400 CA CYS A 28 15.889 -18.977 1.349 1.00 0.00 C ATOM 401 C CYS A 28 16.784 -20.210 1.234 1.00 0.00 C ATOM 402 O CYS A 28 17.708 -20.228 0.424 1.00 0.00 O ATOM 403 CB CYS A 28 14.924 -18.812 0.174 1.00 0.00 C ATOM 404 SG CYS A 28 13.823 -20.231 0.009 1.00 0.00 S ATOM 0 H CYS A 28 17.623 -17.929 0.881 1.00 0.00 H new ATOM 0 HA CYS A 28 15.294 -19.097 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.333 -17.907 0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 28 15.492 -18.683 -0.748 1.00 0.00 H new ATOM 0 HG CYS A 28 12.588 -19.836 0.107 1.00 0.00 H new ATOM 410 N SER A 29 16.507 -21.243 2.031 1.00 0.00 N ATOM 411 CA SER A 29 17.341 -22.439 2.166 1.00 0.00 C ATOM 412 C SER A 29 17.339 -23.358 0.918 1.00 0.00 C ATOM 413 O SER A 29 17.759 -24.512 1.023 1.00 0.00 O ATOM 414 CB SER A 29 16.901 -23.165 3.454 1.00 0.00 C ATOM 415 OG SER A 29 17.861 -24.095 3.927 1.00 0.00 O ATOM 0 H SER A 29 15.673 -21.272 2.617 1.00 0.00 H new ATOM 0 HA SER A 29 18.386 -22.138 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.707 -22.426 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.962 -23.686 3.267 1.00 0.00 H new ATOM 0 HG SER A 29 18.205 -24.621 3.175 1.00 0.00 H new ATOM 421 N ILE A 30 16.901 -22.903 -0.262 1.00 0.00 N ATOM 422 CA ILE A 30 16.813 -23.696 -1.495 1.00 0.00 C ATOM 423 C ILE A 30 17.272 -22.845 -2.682 1.00 0.00 C ATOM 424 O ILE A 30 17.560 -21.662 -2.512 1.00 0.00 O ATOM 425 CB ILE A 30 15.380 -24.252 -1.701 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.325 -23.140 -1.879 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.974 -25.196 -0.555 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.031 -23.614 -2.546 1.00 0.00 C ATOM 0 H ILE A 30 16.588 -21.941 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 30 17.474 -24.559 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 30 15.409 -24.820 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.086 -22.720 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.756 -22.336 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.965 -25.568 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.668 -26.036 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.002 -24.654 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.340 -22.776 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.256 -24.007 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.575 -24.397 -1.940 1.00 0.00 H new ATOM 440 N GLU A 31 17.311 -23.414 -3.889 1.00 0.00 N ATOM 441 CA GLU A 31 17.486 -22.631 -5.103 1.00 0.00 C ATOM 442 C GLU A 31 16.207 -21.849 -5.377 1.00 0.00 C ATOM 443 O GLU A 31 15.107 -22.403 -5.287 1.00 0.00 O ATOM 444 CB GLU A 31 17.786 -23.586 -6.268 1.00 0.00 C ATOM 445 CG GLU A 31 18.277 -22.885 -7.540 1.00 0.00 C ATOM 446 CD GLU A 31 18.329 -23.836 -8.739 1.00 0.00 C ATOM 447 OE1 GLU A 31 17.283 -24.429 -9.080 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.418 -23.971 -9.345 1.00 0.00 O ATOM 0 H GLU A 31 17.223 -24.418 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 31 18.314 -21.931 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.539 -24.306 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.884 -24.151 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.617 -22.048 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.269 -22.469 -7.364 1.00 0.00 H new ATOM 455 N MET A 32 16.363 -20.606 -5.822 1.00 0.00 N ATOM 456 CA MET A 32 15.369 -19.878 -6.579 1.00 0.00 C ATOM 457 C MET A 32 15.759 -19.921 -8.061 1.00 0.00 C ATOM 458 O MET A 32 16.462 -19.030 -8.539 1.00 0.00 O ATOM 459 CB MET A 32 15.203 -18.444 -6.062 1.00 0.00 C ATOM 460 CG MET A 32 14.282 -18.382 -4.848 1.00 0.00 C ATOM 461 SD MET A 32 13.786 -16.695 -4.434 1.00 0.00 S ATOM 462 CE MET A 32 15.330 -16.088 -3.711 1.00 0.00 C ATOM 0 H MET A 32 17.213 -20.067 -5.657 1.00 0.00 H new ATOM 0 HA MET A 32 14.394 -20.350 -6.455 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.179 -18.037 -5.798 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.800 -17.816 -6.856 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.392 -18.981 -5.041 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.787 -18.829 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.141 -15.156 -3.178 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.723 -16.830 -3.016 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.058 -15.912 -4.503 1.00 0.00 H new ATOM 472 N PRO A 33 15.376 -20.961 -8.826 1.00 0.00 N ATOM 473 CA PRO A 33 15.625 -20.975 -10.260 1.00 0.00 C ATOM 474 C PRO A 33 14.914 -19.822 -10.963 1.00 0.00 C ATOM 475 O PRO A 33 15.367 -19.375 -12.012 1.00 0.00 O ATOM 476 CB PRO A 33 15.140 -22.330 -10.770 1.00 0.00 C ATOM 477 CG PRO A 33 14.178 -22.824 -9.695 1.00 0.00 C ATOM 478 CD PRO A 33 14.668 -22.158 -8.416 1.00 0.00 C ATOM 0 HA PRO A 33 16.686 -20.839 -10.472 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.642 -22.235 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.971 -23.022 -10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.150 -22.542 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.199 -23.911 -9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.832 -21.910 -7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.324 -22.825 -7.857 1.00 0.00 H new ATOM 486 N ASN A 34 13.805 -19.322 -10.411 1.00 0.00 N ATOM 487 CA ASN A 34 13.108 -18.155 -10.923 1.00 0.00 C ATOM 488 C ASN A 34 12.619 -17.289 -9.785 1.00 0.00 C ATOM 489 O ASN A 34 12.215 -17.772 -8.731 1.00 0.00 O ATOM 490 CB ASN A 34 11.924 -18.533 -11.815 1.00 0.00 C ATOM 491 CG ASN A 34 10.860 -19.350 -11.089 1.00 0.00 C ATOM 492 OD1 ASN A 34 9.884 -18.812 -10.575 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.990 -20.663 -11.043 1.00 0.00 N ATOM 0 H ASN A 34 13.366 -19.727 -9.585 1.00 0.00 H new ATOM 0 HA ASN A 34 13.825 -17.601 -11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.469 -17.624 -12.208 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.289 -19.102 -12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.279 -21.230 -10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.801 -21.110 -11.470 1.00 0.00 H new ATOM 500 N ILE A 35 12.629 -16.000 -10.077 1.00 0.00 N ATOM 501 CA ILE A 35 12.325 -14.895 -9.185 1.00 0.00 C ATOM 502 C ILE A 35 10.875 -14.905 -8.673 1.00 0.00 C ATOM 503 O ILE A 35 10.603 -14.358 -7.608 1.00 0.00 O ATOM 504 CB ILE A 35 12.741 -13.617 -9.946 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.806 -12.360 -9.069 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.872 -13.382 -11.195 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.840 -11.372 -9.630 1.00 0.00 C ATOM 0 H ILE A 35 12.868 -15.675 -11.014 1.00 0.00 H new ATOM 0 HA ILE A 35 12.884 -14.967 -8.252 1.00 0.00 H new ATOM 0 HB ILE A 35 13.764 -13.804 -10.273 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.825 -11.886 -9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.071 -12.634 -8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.199 -12.473 -11.700 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.972 -14.230 -11.873 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.829 -13.277 -10.898 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.876 -10.485 -8.998 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.822 -11.844 -9.648 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.557 -11.085 -10.643 1.00 0.00 H new ATOM 519 N SER A 36 9.943 -15.591 -9.353 1.00 0.00 N ATOM 520 CA SER A 36 8.579 -15.718 -8.843 1.00 0.00 C ATOM 521 C SER A 36 8.513 -16.467 -7.508 1.00 0.00 C ATOM 522 O SER A 36 7.519 -16.314 -6.810 1.00 0.00 O ATOM 523 CB SER A 36 7.634 -16.345 -9.871 1.00 0.00 C ATOM 524 OG SER A 36 7.471 -15.480 -10.977 1.00 0.00 O ATOM 0 H SER A 36 10.110 -16.058 -10.244 1.00 0.00 H new ATOM 0 HA SER A 36 8.237 -14.700 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.033 -17.303 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.666 -16.545 -9.411 1.00 0.00 H new ATOM 0 HG SER A 36 6.866 -15.892 -11.628 1.00 0.00 H new ATOM 530 N TYR A 37 9.544 -17.218 -7.101 1.00 0.00 N ATOM 531 CA TYR A 37 9.598 -17.774 -5.750 1.00 0.00 C ATOM 532 C TYR A 37 9.566 -16.663 -4.701 1.00 0.00 C ATOM 533 O TYR A 37 8.813 -16.751 -3.733 1.00 0.00 O ATOM 534 CB TYR A 37 10.864 -18.618 -5.591 1.00 0.00 C ATOM 535 CG TYR A 37 10.679 -20.084 -5.915 1.00 0.00 C ATOM 536 CD1 TYR A 37 9.991 -20.901 -4.999 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.208 -20.640 -7.097 1.00 0.00 C ATOM 538 CE1 TYR A 37 9.848 -22.274 -5.239 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.075 -22.017 -7.342 1.00 0.00 C ATOM 540 CZ TYR A 37 10.403 -22.836 -6.408 1.00 0.00 C ATOM 541 OH TYR A 37 10.282 -24.164 -6.662 1.00 0.00 O ATOM 0 H TYR A 37 10.346 -17.452 -7.686 1.00 0.00 H new ATOM 0 HA TYR A 37 8.723 -18.406 -5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.642 -18.210 -6.237 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.221 -18.527 -4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.570 -20.467 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.714 -20.009 -7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.317 -22.897 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.486 -22.448 -8.243 1.00 0.00 H new ATOM 0 HH TYR A 37 10.723 -24.376 -7.511 1.00 0.00 H new ATOM 551 N ALA A 38 10.366 -15.610 -4.896 1.00 0.00 N ATOM 552 CA ALA A 38 10.409 -14.490 -3.974 1.00 0.00 C ATOM 553 C ALA A 38 9.045 -13.810 -3.919 1.00 0.00 C ATOM 554 O ALA A 38 8.478 -13.664 -2.833 1.00 0.00 O ATOM 555 CB ALA A 38 11.500 -13.516 -4.400 1.00 0.00 C ATOM 0 H ALA A 38 10.995 -15.518 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 38 10.646 -14.848 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.530 -12.676 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.464 -14.025 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.288 -13.149 -5.404 1.00 0.00 H new ATOM 561 N TRP A 39 8.532 -13.427 -5.095 1.00 0.00 N ATOM 562 CA TRP A 39 7.245 -12.766 -5.229 1.00 0.00 C ATOM 563 C TRP A 39 6.121 -13.583 -4.599 1.00 0.00 C ATOM 564 O TRP A 39 5.276 -12.994 -3.936 1.00 0.00 O ATOM 565 CB TRP A 39 6.938 -12.495 -6.702 1.00 0.00 C ATOM 566 CG TRP A 39 7.822 -11.508 -7.395 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.625 -11.764 -8.454 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.968 -10.081 -7.129 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.237 -10.604 -8.868 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.801 -9.524 -8.142 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.462 -9.190 -6.158 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.056 -8.148 -8.233 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.738 -7.810 -6.228 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.518 -7.284 -7.272 1.00 0.00 C ATOM 0 H TRP A 39 9.010 -13.573 -5.984 1.00 0.00 H new ATOM 0 HA TRP A 39 7.305 -11.818 -4.695 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.993 -13.440 -7.242 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.909 -12.144 -6.777 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.764 -12.735 -8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.926 -10.553 -9.618 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.855 -9.571 -5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.662 -7.758 -9.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.345 -7.148 -5.470 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.701 -6.221 -7.332 1.00 0.00 H new ATOM 585 N LYS A 40 6.107 -14.911 -4.775 1.00 0.00 N ATOM 586 CA LYS A 40 5.087 -15.786 -4.205 1.00 0.00 C ATOM 587 C LYS A 40 5.020 -15.592 -2.707 1.00 0.00 C ATOM 588 O LYS A 40 3.954 -15.238 -2.216 1.00 0.00 O ATOM 589 CB LYS A 40 5.358 -17.256 -4.536 1.00 0.00 C ATOM 590 CG LYS A 40 4.794 -17.621 -5.912 1.00 0.00 C ATOM 591 CD LYS A 40 5.371 -18.972 -6.320 1.00 0.00 C ATOM 592 CE LYS A 40 4.772 -19.423 -7.649 1.00 0.00 C ATOM 593 NZ LYS A 40 5.548 -20.537 -8.219 1.00 0.00 N ATOM 0 H LYS A 40 6.811 -15.407 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 40 4.128 -15.518 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.431 -17.445 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.909 -17.893 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.706 -17.668 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.057 -16.858 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.455 -18.901 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.161 -19.713 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.737 -19.732 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.758 -18.588 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.124 -20.829 -9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.529 -20.230 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.540 -21.340 -7.558 1.00 0.00 H new ATOM 607 N GLU A 41 6.119 -15.836 -1.992 1.00 0.00 N ATOM 608 CA GLU A 41 6.108 -15.790 -0.536 1.00 0.00 C ATOM 609 C GLU A 41 5.725 -14.383 -0.068 1.00 0.00 C ATOM 610 O GLU A 41 4.891 -14.239 0.818 1.00 0.00 O ATOM 611 CB GLU A 41 7.477 -16.206 0.035 1.00 0.00 C ATOM 612 CG GLU A 41 7.379 -17.167 1.228 1.00 0.00 C ATOM 613 CD GLU A 41 7.117 -18.639 0.861 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.770 -18.979 -0.289 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.251 -19.499 1.771 1.00 0.00 O ATOM 0 H GLU A 41 7.025 -16.067 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 41 5.367 -16.498 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.062 -16.678 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.020 -15.312 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.307 -17.110 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.580 -16.825 1.886 1.00 0.00 H new ATOM 622 N LEU A 42 6.300 -13.329 -0.665 1.00 0.00 N ATOM 623 CA LEU A 42 5.980 -11.960 -0.264 1.00 0.00 C ATOM 624 C LEU A 42 4.509 -11.635 -0.475 1.00 0.00 C ATOM 625 O LEU A 42 3.895 -11.033 0.406 1.00 0.00 O ATOM 626 CB LEU A 42 6.869 -10.940 -0.989 1.00 0.00 C ATOM 627 CG LEU A 42 8.272 -10.889 -0.369 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.254 -10.202 -1.313 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.301 -10.157 0.985 1.00 0.00 C ATOM 0 H LEU A 42 6.982 -13.401 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 42 6.184 -11.890 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.944 -11.204 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.410 -9.953 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 42 8.564 -11.926 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.242 -10.176 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.304 -10.754 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.918 -9.184 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.319 -10.153 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.960 -9.131 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.645 -10.669 1.689 1.00 0.00 H new ATOM 641 N LYS A 43 3.930 -12.050 -1.602 1.00 0.00 N ATOM 642 CA LYS A 43 2.510 -11.874 -1.873 1.00 0.00 C ATOM 643 C LYS A 43 1.672 -12.626 -0.837 1.00 0.00 C ATOM 644 O LYS A 43 0.667 -12.081 -0.382 1.00 0.00 O ATOM 645 CB LYS A 43 2.203 -12.338 -3.307 1.00 0.00 C ATOM 646 CG LYS A 43 2.630 -11.279 -4.341 1.00 0.00 C ATOM 647 CD LYS A 43 2.493 -11.777 -5.786 1.00 0.00 C ATOM 648 CE LYS A 43 2.740 -10.598 -6.731 1.00 0.00 C ATOM 649 NZ LYS A 43 2.279 -10.854 -8.110 1.00 0.00 N ATOM 0 H LYS A 43 4.437 -12.519 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 43 2.247 -10.819 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.722 -13.275 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.136 -12.537 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.023 -10.383 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.665 -10.992 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.209 -12.575 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.499 -12.193 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.231 -9.716 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.806 -10.370 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.489 -10.027 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.770 -11.688 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.254 -11.027 -8.107 1.00 0.00 H new ATOM 663 N GLU A 44 2.107 -13.819 -0.426 1.00 0.00 N ATOM 664 CA GLU A 44 1.448 -14.697 0.545 1.00 0.00 C ATOM 665 C GLU A 44 1.324 -14.029 1.918 1.00 0.00 C ATOM 666 O GLU A 44 0.433 -14.370 2.698 1.00 0.00 O ATOM 667 CB GLU A 44 2.276 -15.997 0.659 1.00 0.00 C ATOM 668 CG GLU A 44 1.472 -17.287 0.855 1.00 0.00 C ATOM 669 CD GLU A 44 2.175 -18.493 0.210 1.00 0.00 C ATOM 670 OE1 GLU A 44 2.100 -18.595 -1.041 1.00 0.00 O ATOM 671 OE2 GLU A 44 2.794 -19.335 0.909 1.00 0.00 O ATOM 0 H GLU A 44 2.975 -14.221 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 44 0.437 -14.914 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.879 -16.101 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.968 -15.892 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.333 -17.472 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.479 -17.168 0.420 1.00 0.00 H new ATOM 678 N GLN A 45 2.221 -13.092 2.232 1.00 0.00 N ATOM 679 CA GLN A 45 2.315 -12.438 3.533 1.00 0.00 C ATOM 680 C GLN A 45 1.765 -11.006 3.493 1.00 0.00 C ATOM 681 O GLN A 45 0.946 -10.634 4.330 1.00 0.00 O ATOM 682 CB GLN A 45 3.782 -12.452 4.001 1.00 0.00 C ATOM 683 CG GLN A 45 4.401 -13.851 4.178 1.00 0.00 C ATOM 684 CD GLN A 45 3.629 -14.805 5.084 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.379 -15.966 4.745 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.251 -14.364 6.267 1.00 0.00 N ATOM 0 H GLN A 45 2.920 -12.760 1.568 1.00 0.00 H new ATOM 0 HA GLN A 45 1.701 -12.990 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.382 -11.896 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.849 -11.920 4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.499 -14.312 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.408 -13.735 4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.459 -13.405 6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.750 -14.982 6.906 1.00 0.00 H new ATOM 695 N LEU A 46 2.233 -10.181 2.554 1.00 0.00 N ATOM 696 CA LEU A 46 1.986 -8.738 2.540 1.00 0.00 C ATOM 697 C LEU A 46 0.678 -8.378 1.835 1.00 0.00 C ATOM 698 O LEU A 46 0.153 -7.295 2.104 1.00 0.00 O ATOM 699 CB LEU A 46 3.153 -8.031 1.823 1.00 0.00 C ATOM 700 CG LEU A 46 4.486 -8.079 2.599 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.647 -7.682 1.688 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.435 -7.178 3.831 1.00 0.00 C ATOM 0 H LEU A 46 2.802 -10.501 1.771 1.00 0.00 H new ATOM 0 HA LEU A 46 1.907 -8.409 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.297 -8.490 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.882 -6.989 1.650 1.00 0.00 H new ATOM 0 HG LEU A 46 4.646 -9.102 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.580 -7.721 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.701 -8.372 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.489 -6.669 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.387 -7.230 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.248 -6.150 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.634 -7.510 4.492 1.00 0.00 H new ATOM 714 N GLY A 47 0.162 -9.238 0.955 1.00 0.00 N ATOM 715 CA GLY A 47 -0.947 -8.955 0.052 1.00 0.00 C ATOM 716 C GLY A 47 -0.466 -9.106 -1.383 1.00 0.00 C ATOM 717 O GLY A 47 0.673 -8.755 -1.695 1.00 0.00 O ATOM 0 H GLY A 47 0.522 -10.187 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.774 -9.638 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.321 -7.945 0.220 1.00 0.00 H new ATOM 721 N GLU A 48 -1.321 -9.615 -2.274 1.00 0.00 N ATOM 722 CA GLU A 48 -0.873 -10.073 -3.590 1.00 0.00 C ATOM 723 C GLU A 48 -0.439 -8.928 -4.511 1.00 0.00 C ATOM 724 O GLU A 48 0.280 -9.125 -5.490 1.00 0.00 O ATOM 725 CB GLU A 48 -1.964 -10.917 -4.272 1.00 0.00 C ATOM 726 CG GLU A 48 -1.422 -12.309 -4.582 1.00 0.00 C ATOM 727 CD GLU A 48 -2.273 -13.056 -5.598 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.393 -13.494 -5.255 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.775 -13.271 -6.733 1.00 0.00 O ATOM 0 H GLU A 48 -2.322 -9.720 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 48 0.009 -10.689 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.837 -10.993 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.291 -10.431 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.404 -12.222 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.371 -12.889 -3.660 1.00 0.00 H new ATOM 736 N GLU A 49 -0.875 -7.721 -4.183 1.00 0.00 N ATOM 737 CA GLU A 49 -0.649 -6.497 -4.929 1.00 0.00 C ATOM 738 C GLU A 49 0.686 -5.827 -4.602 1.00 0.00 C ATOM 739 O GLU A 49 0.983 -4.774 -5.159 1.00 0.00 O ATOM 740 CB GLU A 49 -1.810 -5.533 -4.630 1.00 0.00 C ATOM 741 CG GLU A 49 -1.876 -5.183 -3.129 1.00 0.00 C ATOM 742 CD GLU A 49 -3.201 -4.561 -2.699 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.267 -5.071 -3.108 1.00 0.00 O ATOM 744 OE2 GLU A 49 -3.120 -3.626 -1.863 1.00 0.00 O ATOM 0 H GLU A 49 -1.427 -7.563 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.606 -6.751 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.687 -4.620 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.751 -5.986 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.704 -6.088 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.067 -4.493 -2.891 1.00 0.00 H new ATOM 751 N ILE A 50 1.487 -6.388 -3.693 1.00 0.00 N ATOM 752 CA ILE A 50 2.735 -5.780 -3.242 1.00 0.00 C ATOM 753 C ILE A 50 3.675 -5.435 -4.412 1.00 0.00 C ATOM 754 O ILE A 50 4.448 -4.481 -4.334 1.00 0.00 O ATOM 755 CB ILE A 50 3.371 -6.703 -2.183 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.625 -6.079 -1.552 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.708 -8.101 -2.738 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.368 -4.799 -0.749 1.00 0.00 C ATOM 0 H ILE A 50 1.284 -7.283 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 50 2.530 -4.816 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 50 2.613 -6.822 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.090 -6.815 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.342 -5.858 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.153 -8.708 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.796 -8.581 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.413 -8.004 -3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.309 -4.430 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.933 -4.041 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.678 -5.014 0.067 1.00 0.00 H new ATOM 770 N ASP A 51 3.610 -6.190 -5.510 1.00 0.00 N ATOM 771 CA ASP A 51 4.555 -6.113 -6.619 1.00 0.00 C ATOM 772 C ASP A 51 4.585 -4.772 -7.353 1.00 0.00 C ATOM 773 O ASP A 51 5.613 -4.464 -7.957 1.00 0.00 O ATOM 774 CB ASP A 51 4.389 -7.300 -7.575 1.00 0.00 C ATOM 775 CG ASP A 51 3.093 -7.414 -8.394 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.096 -6.686 -8.176 1.00 0.00 O ATOM 777 OD2 ASP A 51 3.047 -8.376 -9.197 1.00 0.00 O ATOM 0 H ASP A 51 2.880 -6.888 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 51 5.541 -6.180 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.222 -7.278 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.491 -8.213 -6.989 1.00 0.00 H new ATOM 782 N SER A 52 3.556 -3.925 -7.275 1.00 0.00 N ATOM 783 CA SER A 52 3.572 -2.593 -7.839 1.00 0.00 C ATOM 784 C SER A 52 4.354 -1.586 -6.984 1.00 0.00 C ATOM 785 O SER A 52 4.690 -0.501 -7.463 1.00 0.00 O ATOM 786 CB SER A 52 2.116 -2.159 -7.969 1.00 0.00 C ATOM 787 OG SER A 52 1.399 -2.377 -6.767 1.00 0.00 O ATOM 0 H SER A 52 2.679 -4.159 -6.809 1.00 0.00 H new ATOM 0 HA SER A 52 4.082 -2.615 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.073 -1.102 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.642 -2.710 -8.781 1.00 0.00 H new ATOM 0 HG SER A 52 0.470 -2.087 -6.883 1.00 0.00 H new ATOM 793 N LYS A 53 4.630 -1.898 -5.712 1.00 0.00 N ATOM 794 CA LYS A 53 5.296 -0.980 -4.784 1.00 0.00 C ATOM 795 C LYS A 53 6.812 -1.171 -4.792 1.00 0.00 C ATOM 796 O LYS A 53 7.510 -0.422 -4.101 1.00 0.00 O ATOM 797 CB LYS A 53 4.743 -1.153 -3.354 1.00 0.00 C ATOM 798 CG LYS A 53 3.408 -0.441 -3.099 1.00 0.00 C ATOM 799 CD LYS A 53 2.209 -1.015 -3.860 1.00 0.00 C ATOM 800 CE LYS A 53 0.912 -0.435 -3.288 1.00 0.00 C ATOM 801 NZ LYS A 53 0.537 0.858 -3.893 1.00 0.00 N ATOM 0 H LYS A 53 4.396 -2.800 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 53 5.085 0.034 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.617 -2.217 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.481 -0.779 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.192 -0.478 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.518 0.610 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.290 -0.775 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.200 -2.102 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.103 -1.149 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.023 -0.307 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.348 1.198 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.293 1.552 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.401 0.736 -4.917 1.00 0.00 H new ATOM 815 N VAL A 54 7.343 -2.135 -5.536 1.00 0.00 N ATOM 816 CA VAL A 54 8.730 -2.579 -5.461 1.00 0.00 C ATOM 817 C VAL A 54 9.469 -2.119 -6.731 1.00 0.00 C ATOM 818 O VAL A 54 8.856 -1.618 -7.675 1.00 0.00 O ATOM 819 CB VAL A 54 8.724 -4.103 -5.182 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.130 -4.702 -5.052 1.00 0.00 C ATOM 821 CG2 VAL A 54 7.983 -4.424 -3.869 1.00 0.00 C ATOM 0 H VAL A 54 6.801 -2.647 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 54 9.290 -2.131 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 54 8.222 -4.542 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.053 -5.772 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.681 -4.541 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.656 -4.220 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.994 -5.501 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.478 -3.920 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.952 -4.079 -3.940 1.00 0.00 H new ATOM 831 N LYS A 55 10.802 -2.165 -6.721 1.00 0.00 N ATOM 832 CA LYS A 55 11.652 -1.876 -7.876 1.00 0.00 C ATOM 833 C LYS A 55 12.035 -3.178 -8.589 1.00 0.00 C ATOM 834 O LYS A 55 11.492 -4.244 -8.295 1.00 0.00 O ATOM 835 CB LYS A 55 12.872 -1.070 -7.403 1.00 0.00 C ATOM 836 CG LYS A 55 12.555 0.337 -6.876 1.00 0.00 C ATOM 837 CD LYS A 55 12.051 1.336 -7.931 1.00 0.00 C ATOM 838 CE LYS A 55 10.524 1.342 -8.115 1.00 0.00 C ATOM 839 NZ LYS A 55 10.117 2.110 -9.308 1.00 0.00 N ATOM 0 H LYS A 55 11.334 -2.411 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 55 11.116 -1.271 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.377 -1.631 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.574 -0.982 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.803 0.252 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.454 0.745 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.376 2.338 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.520 1.105 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.165 0.317 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.053 1.770 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.081 2.090 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.437 3.095 -9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.545 1.687 -10.156 1.00 0.00 H new ATOM 853 N GLY A 56 12.922 -3.085 -9.580 1.00 0.00 N ATOM 854 CA GLY A 56 13.360 -4.196 -10.402 1.00 0.00 C ATOM 855 C GLY A 56 14.195 -5.183 -9.590 1.00 0.00 C ATOM 856 O GLY A 56 15.411 -5.016 -9.504 1.00 0.00 O ATOM 0 H GLY A 56 13.365 -2.203 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.493 -4.707 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.947 -3.823 -11.241 1.00 0.00 H new ATOM 860 N MET A 57 13.552 -6.162 -8.956 1.00 0.00 N ATOM 861 CA MET A 57 14.153 -7.167 -8.076 1.00 0.00 C ATOM 862 C MET A 57 15.313 -7.908 -8.762 1.00 0.00 C ATOM 863 O MET A 57 15.237 -8.169 -9.964 1.00 0.00 O ATOM 864 CB MET A 57 13.007 -8.097 -7.622 1.00 0.00 C ATOM 865 CG MET A 57 13.414 -9.220 -6.661 1.00 0.00 C ATOM 866 SD MET A 57 12.120 -10.443 -6.302 1.00 0.00 S ATOM 867 CE MET A 57 10.907 -9.497 -5.344 1.00 0.00 C ATOM 0 H MET A 57 12.543 -6.283 -9.046 1.00 0.00 H new ATOM 0 HA MET A 57 14.615 -6.706 -7.203 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.239 -7.491 -7.142 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.553 -8.545 -8.506 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.276 -9.740 -7.080 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.738 -8.772 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.980 -10.065 -5.269 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.299 -9.309 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.711 -8.547 -5.842 1.00 0.00 H new ATOM 877 N VAL A 58 16.370 -8.249 -8.017 1.00 0.00 N ATOM 878 CA VAL A 58 17.626 -8.816 -8.521 1.00 0.00 C ATOM 879 C VAL A 58 18.145 -9.896 -7.565 1.00 0.00 C ATOM 880 O VAL A 58 17.833 -9.908 -6.379 1.00 0.00 O ATOM 881 CB VAL A 58 18.683 -7.706 -8.732 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.486 -7.035 -10.094 1.00 0.00 C ATOM 883 CG2 VAL A 58 18.688 -6.623 -7.641 1.00 0.00 C ATOM 0 H VAL A 58 16.374 -8.133 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 58 17.433 -9.281 -9.488 1.00 0.00 H new ATOM 0 HB VAL A 58 19.647 -8.213 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.237 -6.256 -10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.589 -7.779 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.491 -6.592 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.458 -5.884 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.714 -6.134 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.896 -7.081 -6.674 1.00 0.00 H new ATOM 893 N PHE A 59 18.924 -10.850 -8.067 1.00 0.00 N ATOM 894 CA PHE A 59 19.434 -11.958 -7.273 1.00 0.00 C ATOM 895 C PHE A 59 20.627 -11.514 -6.425 1.00 0.00 C ATOM 896 O PHE A 59 21.401 -10.635 -6.819 1.00 0.00 O ATOM 897 CB PHE A 59 19.809 -13.118 -8.203 1.00 0.00 C ATOM 898 CG PHE A 59 18.652 -14.041 -8.532 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.783 -13.780 -9.612 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.456 -15.191 -7.747 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.762 -14.690 -9.937 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.434 -16.096 -8.069 1.00 0.00 C ATOM 903 CZ PHE A 59 16.597 -15.858 -9.175 1.00 0.00 C ATOM 0 H PHE A 59 19.220 -10.874 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 59 18.659 -12.297 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.212 -12.711 -9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.605 -13.700 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.903 -12.877 -10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.093 -15.378 -6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.106 -14.491 -10.771 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.289 -16.980 -7.465 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.830 -16.572 -9.437 1.00 0.00 H new ATOM 913 N LEU A 60 20.818 -12.203 -5.296 1.00 0.00 N ATOM 914 CA LEU A 60 21.978 -12.072 -4.414 1.00 0.00 C ATOM 915 C LEU A 60 23.126 -12.958 -4.912 1.00 0.00 C ATOM 916 O LEU A 60 23.126 -13.388 -6.069 1.00 0.00 O ATOM 917 CB LEU A 60 21.552 -12.369 -2.962 1.00 0.00 C ATOM 918 CG LEU A 60 20.855 -11.169 -2.299 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.278 -11.605 -0.953 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.819 -10.004 -2.038 1.00 0.00 C ATOM 0 H LEU A 60 20.144 -12.891 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 60 22.358 -11.051 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.880 -13.227 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.430 -12.644 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 60 20.077 -10.831 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.782 -10.758 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.556 -12.407 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.083 -11.961 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.278 -9.182 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.620 -10.335 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.245 -9.666 -2.983 1.00 0.00 H new ATOM 932 N LYS A 61 24.155 -13.181 -4.086 1.00 0.00 N ATOM 933 CA LYS A 61 25.425 -13.795 -4.470 1.00 0.00 C ATOM 934 C LYS A 61 25.283 -15.325 -4.557 1.00 0.00 C ATOM 935 O LYS A 61 25.929 -16.065 -3.816 1.00 0.00 O ATOM 936 CB LYS A 61 26.516 -13.285 -3.495 1.00 0.00 C ATOM 937 CG LYS A 61 27.895 -13.068 -4.142 1.00 0.00 C ATOM 938 CD LYS A 61 28.650 -14.353 -4.498 1.00 0.00 C ATOM 939 CE LYS A 61 29.140 -15.135 -3.273 1.00 0.00 C ATOM 940 NZ LYS A 61 30.349 -14.531 -2.674 1.00 0.00 N ATOM 0 H LYS A 61 24.122 -12.929 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 61 25.733 -13.501 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.182 -12.345 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.620 -14.000 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.766 -12.477 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.510 -12.479 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.999 -14.995 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.506 -14.100 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.347 -15.173 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.355 -16.164 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.645 -15.092 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.115 -14.518 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.138 -13.558 -2.373 1.00 0.00 H new ATOM 954 N GLY A 62 24.434 -15.821 -5.453 1.00 0.00 N ATOM 955 CA GLY A 62 24.144 -17.228 -5.711 1.00 0.00 C ATOM 956 C GLY A 62 22.777 -17.335 -6.383 1.00 0.00 C ATOM 957 O GLY A 62 22.216 -16.316 -6.789 1.00 0.00 O ATOM 0 H GLY A 62 23.892 -15.206 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.913 -17.661 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.151 -17.792 -4.778 1.00 0.00 H new ATOM 961 N LYS A 63 22.206 -18.538 -6.516 1.00 0.00 N ATOM 962 CA LYS A 63 20.775 -18.676 -6.830 1.00 0.00 C ATOM 963 C LYS A 63 19.933 -18.773 -5.547 1.00 0.00 C ATOM 964 O LYS A 63 18.748 -19.072 -5.644 1.00 0.00 O ATOM 965 CB LYS A 63 20.514 -19.876 -7.765 1.00 0.00 C ATOM 966 CG LYS A 63 21.128 -19.734 -9.168 1.00 0.00 C ATOM 967 CD LYS A 63 20.714 -20.907 -10.068 1.00 0.00 C ATOM 968 CE LYS A 63 21.149 -20.771 -11.533 1.00 0.00 C ATOM 969 NZ LYS A 63 20.346 -19.809 -12.320 1.00 0.00 N ATOM 0 H LYS A 63 22.704 -19.422 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 63 20.467 -17.776 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.910 -20.778 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.438 -20.015 -7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 63 20.806 -18.794 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.215 -19.695 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.135 -21.826 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.629 -21.010 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.194 -20.463 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.091 -21.750 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.703 -19.776 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.351 -20.110 -12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.419 -18.864 -11.892 1.00 0.00 H new ATOM 983 N LEU A 64 20.517 -18.569 -4.357 1.00 0.00 N ATOM 984 CA LEU A 64 19.901 -18.925 -3.069 1.00 0.00 C ATOM 985 C LEU A 64 19.358 -17.705 -2.297 1.00 0.00 C ATOM 986 O LEU A 64 19.139 -17.762 -1.086 1.00 0.00 O ATOM 987 CB LEU A 64 20.856 -19.752 -2.184 1.00 0.00 C ATOM 988 CG LEU A 64 21.663 -20.869 -2.874 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.557 -21.567 -1.848 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.802 -21.919 -3.572 1.00 0.00 C ATOM 0 H LEU A 64 21.441 -18.147 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 64 19.042 -19.547 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.561 -19.066 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.270 -20.203 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 64 22.252 -20.378 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.126 -22.356 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.244 -20.842 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.939 -22.001 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.445 -22.669 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.150 -22.399 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.196 -21.440 -4.341 1.00 0.00 H new ATOM 1002 N GLY A 65 19.190 -16.552 -2.949 1.00 0.00 N ATOM 1003 CA GLY A 65 18.598 -15.390 -2.310 1.00 0.00 C ATOM 1004 C GLY A 65 18.386 -14.267 -3.308 1.00 0.00 C ATOM 1005 O GLY A 65 18.858 -14.340 -4.447 1.00 0.00 O ATOM 0 H GLY A 65 19.459 -16.405 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.644 -15.665 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.245 -15.046 -1.503 1.00 0.00 H new ATOM 1009 N VAL A 66 17.704 -13.211 -2.880 1.00 0.00 N ATOM 1010 CA VAL A 66 17.311 -12.104 -3.733 1.00 0.00 C ATOM 1011 C VAL A 66 17.339 -10.818 -2.903 1.00 0.00 C ATOM 1012 O VAL A 66 17.244 -10.856 -1.672 1.00 0.00 O ATOM 1013 CB VAL A 66 15.931 -12.451 -4.340 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.789 -12.279 -3.339 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.581 -11.696 -5.618 1.00 0.00 C ATOM 0 H VAL A 66 17.405 -13.102 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 66 17.993 -11.938 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 66 16.038 -13.503 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.844 -12.536 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.953 -12.935 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.755 -11.243 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.596 -12.007 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.573 -10.625 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.323 -11.916 -6.385 1.00 0.00 H new ATOM 1025 N CYS A 67 17.448 -9.685 -3.579 1.00 0.00 N ATOM 1026 CA CYS A 67 17.342 -8.349 -3.031 1.00 0.00 C ATOM 1027 C CYS A 67 16.452 -7.539 -3.980 1.00 0.00 C ATOM 1028 O CYS A 67 16.169 -7.937 -5.115 1.00 0.00 O ATOM 1029 CB CYS A 67 18.738 -7.722 -2.865 1.00 0.00 C ATOM 1030 SG CYS A 67 19.850 -8.102 -4.256 1.00 0.00 S ATOM 0 H CYS A 67 17.623 -9.677 -4.584 1.00 0.00 H new ATOM 0 HA CYS A 67 16.896 -8.364 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.637 -6.641 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.186 -8.082 -1.939 1.00 0.00 H new ATOM 0 HG CYS A 67 19.177 -8.684 -5.203 1.00 0.00 H new ATOM 1036 N PHE A 68 15.969 -6.406 -3.501 1.00 0.00 N ATOM 1037 CA PHE A 68 15.227 -5.404 -4.249 1.00 0.00 C ATOM 1038 C PHE A 68 15.133 -4.153 -3.385 1.00 0.00 C ATOM 1039 O PHE A 68 15.381 -4.206 -2.174 1.00 0.00 O ATOM 1040 CB PHE A 68 13.822 -5.902 -4.617 1.00 0.00 C ATOM 1041 CG PHE A 68 13.001 -6.366 -3.446 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.342 -5.417 -2.655 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.957 -7.730 -3.102 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.625 -5.831 -1.532 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.227 -8.146 -1.981 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.558 -7.196 -1.196 1.00 0.00 C ATOM 0 H PHE A 68 16.091 -6.145 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 68 15.745 -5.191 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.287 -5.100 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.915 -6.723 -5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.389 -4.369 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.486 -8.456 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.119 -5.101 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.180 -9.194 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.991 -7.512 -0.333 1.00 0.00 H new ATOM 1056 N ASP A 69 14.681 -3.053 -3.979 1.00 0.00 N ATOM 1057 CA ASP A 69 14.678 -1.734 -3.357 1.00 0.00 C ATOM 1058 C ASP A 69 13.245 -1.221 -3.236 1.00 0.00 C ATOM 1059 O ASP A 69 12.391 -1.486 -4.093 1.00 0.00 O ATOM 1060 CB ASP A 69 15.575 -0.782 -4.160 1.00 0.00 C ATOM 1061 CG ASP A 69 17.041 -1.226 -4.131 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.450 -2.033 -5.006 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.791 -0.778 -3.250 1.00 0.00 O ATOM 0 H ASP A 69 14.299 -3.054 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 69 15.086 -1.794 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.228 -0.739 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.492 0.226 -3.754 1.00 0.00 H new ATOM 1068 N VAL A 70 12.961 -0.481 -2.165 1.00 0.00 N ATOM 1069 CA VAL A 70 11.632 0.030 -1.825 1.00 0.00 C ATOM 1070 C VAL A 70 11.764 1.391 -1.129 1.00 0.00 C ATOM 1071 O VAL A 70 12.813 1.673 -0.538 1.00 0.00 O ATOM 1072 CB VAL A 70 10.879 -0.966 -0.906 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.131 -2.036 -1.709 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.788 -1.654 0.120 1.00 0.00 C ATOM 0 H VAL A 70 13.673 -0.211 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 70 11.058 0.148 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 70 10.161 -0.353 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.618 -2.712 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.401 -1.557 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.841 -2.601 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.197 -2.337 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.566 -2.213 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.248 -0.902 0.761 1.00 0.00 H new ATOM 1084 N PRO A 71 10.713 2.234 -1.146 1.00 0.00 N ATOM 1085 CA PRO A 71 10.717 3.487 -0.413 1.00 0.00 C ATOM 1086 C PRO A 71 10.785 3.208 1.087 1.00 0.00 C ATOM 1087 O PRO A 71 10.083 2.342 1.604 1.00 0.00 O ATOM 1088 CB PRO A 71 9.431 4.220 -0.805 1.00 0.00 C ATOM 1089 CG PRO A 71 8.500 3.103 -1.260 1.00 0.00 C ATOM 1090 CD PRO A 71 9.454 2.071 -1.857 1.00 0.00 C ATOM 0 HA PRO A 71 11.584 4.103 -0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.012 4.772 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.609 4.942 -1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.931 2.690 -0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.778 3.456 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.064 1.061 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.586 2.233 -2.927 1.00 0.00 H new ATOM 1098 N THR A 72 11.577 4.015 1.784 1.00 0.00 N ATOM 1099 CA THR A 72 11.784 4.034 3.229 1.00 0.00 C ATOM 1100 C THR A 72 10.451 4.022 3.993 1.00 0.00 C ATOM 1101 O THR A 72 10.315 3.302 4.983 1.00 0.00 O ATOM 1102 CB THR A 72 12.628 5.284 3.543 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.849 5.241 2.828 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.017 5.429 5.001 1.00 0.00 C ATOM 0 H THR A 72 12.135 4.730 1.317 1.00 0.00 H new ATOM 0 HA THR A 72 12.308 3.136 3.557 1.00 0.00 H new ATOM 0 HB THR A 72 11.988 6.120 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.138 6.154 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.609 6.335 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.117 5.492 5.613 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.605 4.564 5.308 1.00 0.00 H new ATOM 1112 N ALA A 73 9.444 4.747 3.495 1.00 0.00 N ATOM 1113 CA ALA A 73 8.113 4.751 4.081 1.00 0.00 C ATOM 1114 C ALA A 73 7.562 3.323 4.179 1.00 0.00 C ATOM 1115 O ALA A 73 7.090 2.920 5.243 1.00 0.00 O ATOM 1116 CB ALA A 73 7.196 5.650 3.247 1.00 0.00 C ATOM 0 H ALA A 73 9.536 5.345 2.674 1.00 0.00 H new ATOM 0 HA ALA A 73 8.162 5.149 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.197 5.656 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.593 6.665 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.144 5.270 2.227 1.00 0.00 H new ATOM 1122 N SER A 74 7.643 2.557 3.087 1.00 0.00 N ATOM 1123 CA SER A 74 7.148 1.192 3.048 1.00 0.00 C ATOM 1124 C SER A 74 8.089 0.209 3.740 1.00 0.00 C ATOM 1125 O SER A 74 7.588 -0.794 4.239 1.00 0.00 O ATOM 1126 CB SER A 74 6.907 0.740 1.606 1.00 0.00 C ATOM 1127 OG SER A 74 5.843 1.470 1.025 1.00 0.00 O ATOM 0 H SER A 74 8.055 2.873 2.209 1.00 0.00 H new ATOM 0 HA SER A 74 6.204 1.191 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.815 0.881 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.677 -0.325 1.587 1.00 0.00 H new ATOM 0 HG SER A 74 5.705 1.169 0.103 1.00 0.00 H new ATOM 1133 N VAL A 75 9.405 0.451 3.827 1.00 0.00 N ATOM 1134 CA VAL A 75 10.327 -0.430 4.562 1.00 0.00 C ATOM 1135 C VAL A 75 9.758 -0.677 5.961 1.00 0.00 C ATOM 1136 O VAL A 75 9.594 -1.831 6.374 1.00 0.00 O ATOM 1137 CB VAL A 75 11.758 0.160 4.595 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.708 -0.646 5.494 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.376 0.189 3.190 1.00 0.00 C ATOM 0 H VAL A 75 9.858 1.256 3.394 1.00 0.00 H new ATOM 0 HA VAL A 75 10.414 -1.389 4.051 1.00 0.00 H new ATOM 0 HB VAL A 75 11.648 1.168 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.697 -0.189 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.325 -0.653 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.777 -1.670 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.381 0.608 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.426 -0.825 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.760 0.805 2.534 1.00 0.00 H new ATOM 1149 N THR A 76 9.363 0.398 6.645 1.00 0.00 N ATOM 1150 CA THR A 76 8.823 0.291 7.989 1.00 0.00 C ATOM 1151 C THR A 76 7.395 -0.280 8.050 1.00 0.00 C ATOM 1152 O THR A 76 6.850 -0.452 9.135 1.00 0.00 O ATOM 1153 CB THR A 76 8.930 1.622 8.756 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.966 2.472 8.281 1.00 0.00 O ATOM 1155 CG2 THR A 76 9.249 1.297 10.216 1.00 0.00 C ATOM 0 H THR A 76 9.410 1.351 6.284 1.00 0.00 H new ATOM 0 HA THR A 76 9.453 -0.443 8.491 1.00 0.00 H new ATOM 0 HB THR A 76 7.983 2.145 8.622 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.979 3.298 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.331 2.223 10.785 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.452 0.683 10.635 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.192 0.753 10.270 1.00 0.00 H new ATOM 1163 N GLU A 77 6.799 -0.665 6.929 1.00 0.00 N ATOM 1164 CA GLU A 77 5.508 -1.333 6.878 1.00 0.00 C ATOM 1165 C GLU A 77 5.714 -2.824 6.628 1.00 0.00 C ATOM 1166 O GLU A 77 5.156 -3.668 7.323 1.00 0.00 O ATOM 1167 CB GLU A 77 4.707 -0.635 5.773 1.00 0.00 C ATOM 1168 CG GLU A 77 3.238 -1.040 5.712 1.00 0.00 C ATOM 1169 CD GLU A 77 2.451 0.113 5.099 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.397 0.232 3.855 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.960 0.949 5.892 1.00 0.00 O ATOM 0 H GLU A 77 7.211 -0.517 6.008 1.00 0.00 H new ATOM 0 HA GLU A 77 4.956 -1.264 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.769 0.443 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.172 -0.852 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.117 -1.943 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.864 -1.267 6.711 1.00 0.00 H new ATOM 1178 N ILE A 78 6.571 -3.152 5.664 1.00 0.00 N ATOM 1179 CA ILE A 78 6.780 -4.502 5.167 1.00 0.00 C ATOM 1180 C ILE A 78 7.350 -5.379 6.278 1.00 0.00 C ATOM 1181 O ILE A 78 6.820 -6.463 6.507 1.00 0.00 O ATOM 1182 CB ILE A 78 7.722 -4.461 3.951 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.164 -3.620 2.776 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.029 -5.891 3.495 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.290 -2.861 2.064 1.00 0.00 C ATOM 0 H ILE A 78 7.156 -2.460 5.195 1.00 0.00 H new ATOM 0 HA ILE A 78 5.829 -4.932 4.851 1.00 0.00 H new ATOM 0 HB ILE A 78 8.640 -3.965 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.654 -4.272 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.423 -2.913 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.696 -5.863 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.508 -6.437 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.101 -6.392 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.873 -2.278 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.782 -2.193 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.017 -3.572 1.672 1.00 0.00 H new ATOM 1197 N GLN A 79 8.423 -4.937 6.947 1.00 0.00 N ATOM 1198 CA GLN A 79 9.098 -5.792 7.921 1.00 0.00 C ATOM 1199 C GLN A 79 8.116 -6.202 9.025 1.00 0.00 C ATOM 1200 O GLN A 79 8.204 -7.324 9.516 1.00 0.00 O ATOM 1201 CB GLN A 79 10.352 -5.144 8.518 1.00 0.00 C ATOM 1202 CG GLN A 79 11.394 -4.744 7.472 1.00 0.00 C ATOM 1203 CD GLN A 79 12.338 -5.873 7.083 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.060 -6.636 6.167 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.513 -5.930 7.686 1.00 0.00 N ATOM 0 H GLN A 79 8.833 -4.010 6.833 1.00 0.00 H new ATOM 0 HA GLN A 79 9.439 -6.680 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.059 -4.259 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.807 -5.838 9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.881 -4.388 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.980 -3.909 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.727 -5.286 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.205 -6.618 7.390 1.00 0.00 H new ATOM 1214 N GLU A 80 7.175 -5.327 9.406 1.00 0.00 N ATOM 1215 CA GLU A 80 6.166 -5.646 10.415 1.00 0.00 C ATOM 1216 C GLU A 80 5.046 -6.540 9.872 1.00 0.00 C ATOM 1217 O GLU A 80 4.527 -7.397 10.594 1.00 0.00 O ATOM 1218 CB GLU A 80 5.554 -4.346 10.961 1.00 0.00 C ATOM 1219 CG GLU A 80 5.975 -4.102 12.414 1.00 0.00 C ATOM 1220 CD GLU A 80 4.904 -3.312 13.160 1.00 0.00 C ATOM 1221 OE1 GLU A 80 3.829 -3.900 13.432 1.00 0.00 O ATOM 1222 OE2 GLU A 80 5.158 -2.131 13.492 1.00 0.00 O ATOM 0 H GLU A 80 7.095 -4.385 9.024 1.00 0.00 H new ATOM 0 HA GLU A 80 6.671 -6.199 11.207 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.868 -3.505 10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.467 -4.399 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.145 -5.056 12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.919 -3.557 12.438 1.00 0.00 H new ATOM 1229 N LYS A 81 4.635 -6.319 8.621 1.00 0.00 N ATOM 1230 CA LYS A 81 3.541 -7.066 8.006 1.00 0.00 C ATOM 1231 C LYS A 81 3.972 -8.453 7.537 1.00 0.00 C ATOM 1232 O LYS A 81 3.094 -9.261 7.241 1.00 0.00 O ATOM 1233 CB LYS A 81 2.947 -6.256 6.850 1.00 0.00 C ATOM 1234 CG LYS A 81 2.140 -5.067 7.372 1.00 0.00 C ATOM 1235 CD LYS A 81 1.535 -4.244 6.225 1.00 0.00 C ATOM 1236 CE LYS A 81 0.095 -4.676 5.940 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.839 -4.192 6.979 1.00 0.00 N ATOM 0 H LYS A 81 5.052 -5.618 8.009 1.00 0.00 H new ATOM 0 HA LYS A 81 2.777 -7.222 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.748 -5.900 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.307 -6.897 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.342 -5.426 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.783 -4.429 7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.557 -3.185 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.140 -4.366 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.214 -4.293 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.046 -5.764 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.818 -4.309 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.701 -4.740 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.656 -3.186 7.169 1.00 0.00 H new ATOM 1251 N TRP A 82 5.273 -8.738 7.462 1.00 0.00 N ATOM 1252 CA TRP A 82 5.821 -10.069 7.272 1.00 0.00 C ATOM 1253 C TRP A 82 5.460 -10.974 8.476 1.00 0.00 C ATOM 1254 O TRP A 82 4.970 -10.494 9.504 1.00 0.00 O ATOM 1255 CB TRP A 82 7.331 -9.878 7.100 1.00 0.00 C ATOM 1256 CG TRP A 82 8.110 -11.112 6.807 1.00 0.00 C ATOM 1257 CD1 TRP A 82 8.970 -11.688 7.670 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.110 -11.944 5.609 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.501 -12.818 7.090 1.00 0.00 N ATOM 1260 CE2 TRP A 82 8.974 -13.052 5.840 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.487 -11.875 4.347 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.204 -14.045 4.875 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.690 -12.877 3.378 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.547 -13.960 3.631 1.00 0.00 C ATOM 0 H TRP A 82 5.993 -8.019 7.535 1.00 0.00 H new ATOM 0 HA TRP A 82 5.408 -10.571 6.397 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.498 -9.165 6.293 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.727 -9.428 8.010 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.205 -11.322 8.658 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.202 -13.411 7.534 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.842 -11.039 4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.876 -14.864 5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.180 -12.811 2.428 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.701 -14.720 2.880 1.00 0.00 H new ATOM 1275 N HIS A 83 5.722 -12.281 8.373 1.00 0.00 N ATOM 1276 CA HIS A 83 5.780 -13.216 9.493 1.00 0.00 C ATOM 1277 C HIS A 83 6.945 -14.143 9.145 1.00 0.00 C ATOM 1278 O HIS A 83 6.913 -14.748 8.070 1.00 0.00 O ATOM 1279 CB HIS A 83 4.430 -13.947 9.594 1.00 0.00 C ATOM 1280 CG HIS A 83 4.192 -14.804 10.815 1.00 0.00 C ATOM 1281 ND1 HIS A 83 3.293 -15.845 10.869 1.00 0.00 N ATOM 1282 CD2 HIS A 83 4.684 -14.623 12.082 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.232 -16.280 12.133 1.00 0.00 C ATOM 1284 NE2 HIS A 83 4.039 -15.548 12.915 1.00 0.00 N ATOM 0 H HIS A 83 5.905 -12.729 7.475 1.00 0.00 H new ATOM 0 HA HIS A 83 5.943 -12.754 10.467 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.638 -13.199 9.548 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.323 -14.579 8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.430 -13.902 12.382 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.621 -17.102 12.474 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.160 -15.646 13.923 1.00 0.00 H new ATOM 1292 N ASP A 84 8.018 -14.186 9.941 1.00 0.00 N ATOM 1293 CA ASP A 84 9.188 -14.992 9.581 1.00 0.00 C ATOM 1294 C ASP A 84 8.853 -16.479 9.581 1.00 0.00 C ATOM 1295 O ASP A 84 7.896 -16.924 10.221 1.00 0.00 O ATOM 1296 CB ASP A 84 10.453 -14.638 10.380 1.00 0.00 C ATOM 1297 CG ASP A 84 10.786 -15.631 11.496 1.00 0.00 C ATOM 1298 OD1 ASP A 84 10.272 -15.434 12.624 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.615 -16.531 11.262 1.00 0.00 O ATOM 0 H ASP A 84 8.101 -13.682 10.824 1.00 0.00 H new ATOM 0 HA ASP A 84 9.450 -14.730 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.299 -14.581 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.329 -13.647 10.816 1.00 0.00 H new ATOM 1304 N SER A 85 9.620 -17.232 8.794 1.00 0.00 N ATOM 1305 CA SER A 85 9.260 -18.563 8.364 1.00 0.00 C ATOM 1306 C SER A 85 10.447 -19.487 8.594 1.00 0.00 C ATOM 1307 O SER A 85 11.608 -19.070 8.572 1.00 0.00 O ATOM 1308 CB SER A 85 8.874 -18.495 6.879 1.00 0.00 C ATOM 1309 OG SER A 85 8.363 -19.728 6.410 1.00 0.00 O ATOM 0 H SER A 85 10.523 -16.920 8.436 1.00 0.00 H new ATOM 0 HA SER A 85 8.413 -18.953 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.128 -17.714 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.747 -18.216 6.289 1.00 0.00 H new ATOM 0 HG SER A 85 8.127 -19.645 5.462 1.00 0.00 H new ATOM 1315 N ARG A 86 10.137 -20.775 8.682 1.00 0.00 N ATOM 1316 CA ARG A 86 11.062 -21.896 8.627 1.00 0.00 C ATOM 1317 C ARG A 86 12.085 -21.756 7.496 1.00 0.00 C ATOM 1318 O ARG A 86 13.286 -21.883 7.722 1.00 0.00 O ATOM 1319 CB ARG A 86 10.226 -23.184 8.520 1.00 0.00 C ATOM 1320 CG ARG A 86 9.236 -23.256 7.331 1.00 0.00 C ATOM 1321 CD ARG A 86 7.965 -24.038 7.688 1.00 0.00 C ATOM 1322 NE ARG A 86 6.957 -23.946 6.614 1.00 0.00 N ATOM 1323 CZ ARG A 86 5.788 -24.600 6.565 1.00 0.00 C ATOM 1324 NH1 ARG A 86 5.494 -25.564 7.430 1.00 0.00 N ATOM 1325 NH2 ARG A 86 4.904 -24.289 5.624 1.00 0.00 N ATOM 0 H ARG A 86 9.171 -21.082 8.801 1.00 0.00 H new ATOM 0 HA ARG A 86 11.664 -21.926 9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.908 -24.031 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.661 -23.305 9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.966 -22.246 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.726 -23.729 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.217 -25.084 7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.546 -23.650 8.617 1.00 0.00 H new ATOM 0 HE ARG A 86 7.170 -23.325 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.165 -25.822 8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.597 -26.046 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.117 -23.558 4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.012 -24.782 5.579 1.00 0.00 H new ATOM 1339 N ARG A 87 11.609 -21.489 6.274 1.00 0.00 N ATOM 1340 CA ARG A 87 12.439 -21.546 5.072 1.00 0.00 C ATOM 1341 C ARG A 87 12.941 -20.166 4.646 1.00 0.00 C ATOM 1342 O ARG A 87 13.850 -20.097 3.826 1.00 0.00 O ATOM 1343 CB ARG A 87 11.650 -22.294 3.979 1.00 0.00 C ATOM 1344 CG ARG A 87 12.377 -22.355 2.629 1.00 0.00 C ATOM 1345 CD ARG A 87 11.813 -23.423 1.692 1.00 0.00 C ATOM 1346 NE ARG A 87 10.418 -23.199 1.282 1.00 0.00 N ATOM 1347 CZ ARG A 87 9.774 -23.977 0.401 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.317 -25.107 -0.036 1.00 0.00 N ATOM 1349 NH2 ARG A 87 8.578 -23.651 -0.066 1.00 0.00 N ATOM 0 H ARG A 87 10.639 -21.228 6.094 1.00 0.00 H new ATOM 0 HA ARG A 87 13.355 -22.102 5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.448 -23.310 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.685 -21.806 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.310 -21.382 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.435 -22.553 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.437 -23.472 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.883 -24.393 2.184 1.00 0.00 H new ATOM 0 HE ARG A 87 9.915 -22.411 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.237 -25.394 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.814 -25.688 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.126 -22.791 0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.109 -24.260 -0.736 1.00 0.00 H new ATOM 1363 N TRP A 88 12.380 -19.081 5.185 1.00 0.00 N ATOM 1364 CA TRP A 88 12.662 -17.716 4.759 1.00 0.00 C ATOM 1365 C TRP A 88 12.819 -16.844 5.996 1.00 0.00 C ATOM 1366 O TRP A 88 11.853 -16.668 6.747 1.00 0.00 O ATOM 1367 CB TRP A 88 11.521 -17.170 3.887 1.00 0.00 C ATOM 1368 CG TRP A 88 11.269 -17.861 2.583 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.644 -19.047 2.427 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.595 -17.403 1.241 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.571 -19.361 1.088 1.00 0.00 N ATOM 1372 CE2 TRP A 88 11.041 -18.328 0.308 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.292 -16.298 0.708 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.105 -18.126 -1.077 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.411 -16.113 -0.684 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.793 -17.011 -1.570 1.00 0.00 C ATOM 0 H TRP A 88 11.703 -19.132 5.946 1.00 0.00 H new ATOM 0 HA TRP A 88 13.578 -17.707 4.168 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.602 -17.205 4.472 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.727 -16.120 3.679 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.259 -19.657 3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.215 -20.244 0.722 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.742 -15.581 1.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.630 -18.820 -1.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.978 -15.279 -1.070 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.849 -16.841 -2.635 1.00 0.00 H new ATOM 1387 N GLN A 89 14.010 -16.284 6.204 1.00 0.00 N ATOM 1388 CA GLN A 89 14.223 -15.233 7.184 1.00 0.00 C ATOM 1389 C GLN A 89 14.531 -13.955 6.417 1.00 0.00 C ATOM 1390 O GLN A 89 15.432 -13.913 5.575 1.00 0.00 O ATOM 1391 CB GLN A 89 15.319 -15.583 8.188 1.00 0.00 C ATOM 1392 CG GLN A 89 14.878 -16.667 9.183 1.00 0.00 C ATOM 1393 CD GLN A 89 15.291 -18.060 8.719 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.449 -18.460 8.828 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.368 -18.858 8.210 1.00 0.00 N ATOM 0 H GLN A 89 14.852 -16.550 5.694 1.00 0.00 H new ATOM 0 HA GLN A 89 13.326 -15.102 7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.204 -15.925 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.606 -14.686 8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.316 -16.464 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.796 -16.630 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.406 -18.531 8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.618 -19.800 7.910 1.00 0.00 H new ATOM 1404 N LEU A 90 13.717 -12.940 6.685 1.00 0.00 N ATOM 1405 CA LEU A 90 13.785 -11.610 6.101 1.00 0.00 C ATOM 1406 C LEU A 90 14.939 -10.830 6.701 1.00 0.00 C ATOM 1407 O LEU A 90 15.543 -11.241 7.691 1.00 0.00 O ATOM 1408 CB LEU A 90 12.459 -10.890 6.385 1.00 0.00 C ATOM 1409 CG LEU A 90 11.583 -10.721 5.153 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.769 -9.473 4.315 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.556 -11.956 4.256 1.00 0.00 C ATOM 0 H LEU A 90 12.951 -13.030 7.352 1.00 0.00 H new ATOM 0 HA LEU A 90 13.949 -11.685 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.906 -11.449 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.671 -9.908 6.807 1.00 0.00 H new ATOM 0 HG LEU A 90 10.610 -10.584 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.077 -9.493 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.572 -8.592 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.793 -9.434 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.913 -11.767 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.566 -12.178 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.170 -12.806 4.819 1.00 0.00 H new ATOM 1423 N SER A 91 15.217 -9.691 6.079 1.00 0.00 N ATOM 1424 CA SER A 91 16.130 -8.662 6.561 1.00 0.00 C ATOM 1425 C SER A 91 16.151 -7.472 5.600 1.00 0.00 C ATOM 1426 O SER A 91 15.612 -7.548 4.496 1.00 0.00 O ATOM 1427 CB SER A 91 17.544 -9.221 6.816 1.00 0.00 C ATOM 1428 OG SER A 91 17.954 -10.225 5.900 1.00 0.00 O ATOM 0 H SER A 91 14.793 -9.448 5.184 1.00 0.00 H new ATOM 0 HA SER A 91 15.760 -8.309 7.524 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.258 -8.399 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.583 -9.630 7.825 1.00 0.00 H new ATOM 0 HG SER A 91 17.472 -10.113 5.054 1.00 0.00 H new ATOM 1434 N VAL A 92 16.792 -6.382 6.011 1.00 0.00 N ATOM 1435 CA VAL A 92 16.987 -5.125 5.302 1.00 0.00 C ATOM 1436 C VAL A 92 18.496 -4.832 5.277 1.00 0.00 C ATOM 1437 O VAL A 92 19.258 -5.350 6.105 1.00 0.00 O ATOM 1438 CB VAL A 92 16.099 -4.056 5.980 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.389 -2.592 5.667 1.00 0.00 C ATOM 1440 CG2 VAL A 92 14.671 -4.225 5.456 1.00 0.00 C ATOM 0 H VAL A 92 17.227 -6.356 6.933 1.00 0.00 H new ATOM 0 HA VAL A 92 16.673 -5.147 4.258 1.00 0.00 H new ATOM 0 HB VAL A 92 16.280 -4.226 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.689 -1.958 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.408 -2.350 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.277 -2.420 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 92 14.023 -3.481 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 92 14.662 -4.090 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 92 14.310 -5.224 5.700 1.00 0.00 H new ATOM 1450 N ALA A 93 18.937 -4.035 4.298 1.00 0.00 N ATOM 1451 CA ALA A 93 20.317 -3.561 4.205 1.00 0.00 C ATOM 1452 C ALA A 93 20.620 -2.594 5.360 1.00 0.00 C ATOM 1453 O ALA A 93 19.738 -2.282 6.164 1.00 0.00 O ATOM 1454 CB ALA A 93 20.508 -2.889 2.838 1.00 0.00 C ATOM 0 H ALA A 93 18.339 -3.699 3.543 1.00 0.00 H new ATOM 0 HA ALA A 93 21.015 -4.394 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.533 -2.528 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.308 -3.611 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.819 -2.050 2.746 1.00 0.00 H new