USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -142:sc= -0.406 (180deg=-2.91!) USER MOD Single : A 33 TYR OH : rot 31:sc= 1.19 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 45 MET CE :methyl -172:sc= -0.284 (180deg=-0.361) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.09) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 1.31 (180deg=0.887) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.24) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -169:sc=-0.00255 (180deg=-0.372) USER MOD Single : A 74 CYS SG : rot 120:sc= -0.0958 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 169:sc= -0.0941 (180deg=-0.127) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0.364 (180deg=0.107) USER MOD Single : A 98 SER OG : rot 123:sc= 1.91 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.264 USER MOD Single : A 110 GLN : amide:sc= 0.202 X(o=0.2,f=-0.16) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -1.087 -8.470 13.118 1.00 0.00 N ATOM 281 CA ILE A 18 -2.082 -8.033 12.130 1.00 0.00 C ATOM 282 C ILE A 18 -3.067 -9.169 11.837 1.00 0.00 C ATOM 283 O ILE A 18 -4.275 -8.927 11.800 1.00 0.00 O ATOM 284 CB ILE A 18 -1.397 -7.519 10.835 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.293 -6.477 11.142 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.439 -6.924 9.865 1.00 0.00 C ATOM 287 CD1 ILE A 18 0.438 -5.986 9.890 1.00 0.00 C ATOM 0 HA ILE A 18 -2.644 -7.197 12.546 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.921 -8.376 10.359 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.740 -5.624 11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.431 -6.916 11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.937 -6.570 8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.166 -7.690 9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.950 -6.091 10.347 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.198 -5.258 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.913 -6.831 9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.276 -5.519 9.212 1.00 0.00 H new ATOM 299 N ILE A 19 -2.577 -10.403 11.670 1.00 0.00 N ATOM 300 CA ILE A 19 -3.390 -11.520 11.167 1.00 0.00 C ATOM 301 C ILE A 19 -3.409 -12.739 12.108 1.00 0.00 C ATOM 302 O ILE A 19 -3.737 -13.840 11.679 1.00 0.00 O ATOM 303 CB ILE A 19 -2.980 -11.850 9.721 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.517 -12.312 9.687 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.251 -10.651 8.784 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.107 -12.777 8.307 1.00 0.00 C ATOM 0 H ILE A 19 -1.611 -10.656 11.878 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.432 -11.202 11.150 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.591 -12.673 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.870 -11.493 10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.375 -13.123 10.401 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.953 -10.909 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.314 -10.409 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.678 -9.788 9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.065 -13.096 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.737 -13.613 8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.224 -11.958 7.597 1.00 0.00 H new ATOM 318 N VAL A 20 -3.059 -12.561 13.381 1.00 0.00 N ATOM 319 CA VAL A 20 -2.828 -13.650 14.338 1.00 0.00 C ATOM 320 C VAL A 20 -3.982 -14.664 14.445 1.00 0.00 C ATOM 321 O VAL A 20 -3.726 -15.864 14.561 1.00 0.00 O ATOM 322 CB VAL A 20 -2.411 -13.041 15.695 1.00 0.00 C ATOM 323 CG1 VAL A 20 -3.557 -12.305 16.409 1.00 0.00 C ATOM 324 CG2 VAL A 20 -1.805 -14.091 16.634 1.00 0.00 C ATOM 0 H VAL A 20 -2.924 -11.636 13.788 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.011 -14.263 13.958 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.648 -12.302 15.451 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.197 -11.902 17.355 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.914 -11.490 15.779 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.374 -13.001 16.599 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.526 -13.619 17.576 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.538 -14.875 16.824 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.920 -14.526 16.170 1.00 0.00 H new ATOM 334 N ASP A 21 -5.240 -14.212 14.376 1.00 0.00 N ATOM 335 CA ASP A 21 -6.430 -15.070 14.520 1.00 0.00 C ATOM 336 C ASP A 21 -7.080 -15.379 13.155 1.00 0.00 C ATOM 337 O ASP A 21 -8.103 -16.080 13.054 1.00 0.00 O ATOM 338 CB ASP A 21 -7.417 -14.383 15.475 1.00 0.00 C ATOM 339 CG ASP A 21 -8.605 -15.284 15.851 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.385 -16.406 16.364 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.770 -14.851 15.704 1.00 0.00 O ATOM 0 H ASP A 21 -5.466 -13.230 14.217 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.132 -16.032 14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.891 -14.085 16.382 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.791 -13.471 15.010 1.00 0.00 H new ATOM 346 N ALA A 22 -6.462 -14.838 12.098 1.00 0.00 N ATOM 347 CA ALA A 22 -6.959 -14.793 10.742 1.00 0.00 C ATOM 348 C ALA A 22 -6.160 -15.747 9.865 1.00 0.00 C ATOM 349 O ALA A 22 -4.946 -15.916 9.992 1.00 0.00 O ATOM 350 CB ALA A 22 -6.833 -13.372 10.190 1.00 0.00 C ATOM 0 H ALA A 22 -5.547 -14.397 12.186 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.007 -15.092 10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.209 -13.344 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.414 -12.688 10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.786 -13.069 10.200 1.00 0.00 H new ATOM 356 N GLU A 23 -6.874 -16.315 8.912 1.00 0.00 N ATOM 357 CA GLU A 23 -6.477 -17.416 8.042 1.00 0.00 C ATOM 358 C GLU A 23 -7.568 -17.701 7.007 1.00 0.00 C ATOM 359 O GLU A 23 -7.268 -18.088 5.877 1.00 0.00 O ATOM 360 CB GLU A 23 -6.154 -18.670 8.872 1.00 0.00 C ATOM 361 CG GLU A 23 -7.315 -19.562 9.329 1.00 0.00 C ATOM 362 CD GLU A 23 -8.206 -18.928 10.405 1.00 0.00 C ATOM 363 OE1 GLU A 23 -8.687 -17.786 10.241 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.508 -19.565 11.440 1.00 0.00 O ATOM 0 H GLU A 23 -7.821 -15.997 8.707 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.573 -17.128 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.471 -19.287 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.612 -18.349 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.930 -19.811 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.910 -20.498 9.713 1.00 0.00 H new ATOM 371 N ASP A 24 -8.830 -17.476 7.385 1.00 0.00 N ATOM 372 CA ASP A 24 -9.965 -17.485 6.493 1.00 0.00 C ATOM 373 C ASP A 24 -9.776 -16.219 5.665 1.00 0.00 C ATOM 374 O ASP A 24 -9.373 -15.187 6.212 1.00 0.00 O ATOM 375 CB ASP A 24 -11.280 -17.410 7.290 1.00 0.00 C ATOM 376 CG ASP A 24 -11.463 -18.498 8.372 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.671 -19.677 8.004 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.441 -18.180 9.591 1.00 0.00 O ATOM 0 H ASP A 24 -9.084 -17.278 8.353 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.022 -18.390 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.340 -16.432 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.113 -17.474 6.590 1.00 0.00 H new ATOM 383 N LYS A 25 -10.037 -16.268 4.359 1.00 0.00 N ATOM 384 CA LYS A 25 -9.677 -15.151 3.476 1.00 0.00 C ATOM 385 C LYS A 25 -10.362 -13.849 3.890 1.00 0.00 C ATOM 386 O LYS A 25 -9.790 -12.774 3.715 1.00 0.00 O ATOM 387 CB LYS A 25 -9.940 -15.502 2.005 1.00 0.00 C ATOM 388 CG LYS A 25 -11.427 -15.741 1.691 1.00 0.00 C ATOM 389 CD LYS A 25 -11.673 -16.100 0.219 1.00 0.00 C ATOM 390 CE LYS A 25 -10.986 -17.417 -0.174 1.00 0.00 C ATOM 391 NZ LYS A 25 -11.263 -17.797 -1.582 1.00 0.00 N ATOM 0 H LYS A 25 -10.489 -17.054 3.892 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.606 -14.981 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.568 -14.694 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.373 -16.396 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.803 -16.545 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.995 -14.845 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.745 -16.183 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.305 -15.295 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.910 -17.320 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.325 -18.213 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.779 -18.691 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.288 -17.916 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.916 -17.050 -2.218 1.00 0.00 H new ATOM 405 N GLU A 26 -11.563 -13.950 4.467 1.00 0.00 N ATOM 406 CA GLU A 26 -12.321 -12.802 4.924 1.00 0.00 C ATOM 407 C GLU A 26 -11.587 -12.171 6.104 1.00 0.00 C ATOM 408 O GLU A 26 -11.423 -10.956 6.155 1.00 0.00 O ATOM 409 CB GLU A 26 -13.743 -13.228 5.331 1.00 0.00 C ATOM 410 CG GLU A 26 -14.525 -13.890 4.186 1.00 0.00 C ATOM 411 CD GLU A 26 -15.970 -14.218 4.603 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.215 -15.314 5.159 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.884 -13.396 4.363 1.00 0.00 O ATOM 0 H GLU A 26 -12.032 -14.841 4.627 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.410 -12.072 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.682 -13.921 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.292 -12.353 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.537 -13.226 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.018 -14.805 3.879 1.00 0.00 H new ATOM 420 N GLU A 27 -11.090 -12.989 7.036 1.00 0.00 N ATOM 421 CA GLU A 27 -10.398 -12.484 8.210 1.00 0.00 C ATOM 422 C GLU A 27 -9.027 -11.953 7.827 1.00 0.00 C ATOM 423 O GLU A 27 -8.599 -10.944 8.382 1.00 0.00 O ATOM 424 CB GLU A 27 -10.259 -13.555 9.290 1.00 0.00 C ATOM 425 CG GLU A 27 -11.631 -14.114 9.681 1.00 0.00 C ATOM 426 CD GLU A 27 -11.608 -14.945 10.968 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.604 -14.944 11.708 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.569 -15.691 11.259 1.00 0.00 O ATOM 0 H GLU A 27 -11.158 -14.006 6.994 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.999 -11.672 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.622 -14.362 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.770 -13.132 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.330 -13.287 9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.009 -14.731 8.866 1.00 0.00 H new ATOM 435 N ARG A 28 -8.337 -12.595 6.876 1.00 0.00 N ATOM 436 CA ARG A 28 -7.063 -12.064 6.386 1.00 0.00 C ATOM 437 C ARG A 28 -7.269 -10.666 5.808 1.00 0.00 C ATOM 438 O ARG A 28 -6.542 -9.745 6.184 1.00 0.00 O ATOM 439 CB ARG A 28 -6.436 -13.012 5.352 1.00 0.00 C ATOM 440 CG ARG A 28 -5.806 -14.260 5.986 1.00 0.00 C ATOM 441 CD ARG A 28 -4.441 -13.929 6.605 1.00 0.00 C ATOM 442 NE ARG A 28 -3.977 -14.996 7.505 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.121 -15.988 7.241 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.574 -16.124 6.037 1.00 0.00 N ATOM 445 NH2 ARG A 28 -2.844 -16.843 8.217 1.00 0.00 N ATOM 0 H ARG A 28 -8.634 -13.467 6.438 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.367 -11.990 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.201 -13.320 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.674 -12.473 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.471 -14.658 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.689 -15.037 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.709 -13.779 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.510 -12.992 7.157 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.357 -14.976 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.805 -15.464 5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.923 -16.888 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.280 -16.731 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.195 -17.613 8.052 1.00 0.00 H new ATOM 459 N ALA A 29 -8.275 -10.496 4.947 1.00 0.00 N ATOM 460 CA ALA A 29 -8.607 -9.201 4.375 1.00 0.00 C ATOM 461 C ALA A 29 -8.939 -8.188 5.476 1.00 0.00 C ATOM 462 O ALA A 29 -8.416 -7.075 5.453 1.00 0.00 O ATOM 463 CB ALA A 29 -9.771 -9.371 3.391 1.00 0.00 C ATOM 0 H ALA A 29 -8.878 -11.255 4.631 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.746 -8.809 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.026 -8.404 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.479 -10.058 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.637 -9.772 3.918 1.00 0.00 H new ATOM 469 N MET A 30 -9.774 -8.551 6.455 1.00 0.00 N ATOM 470 CA MET A 30 -10.185 -7.642 7.516 1.00 0.00 C ATOM 471 C MET A 30 -9.043 -7.280 8.467 1.00 0.00 C ATOM 472 O MET A 30 -8.957 -6.122 8.872 1.00 0.00 O ATOM 473 CB MET A 30 -11.376 -8.240 8.270 1.00 0.00 C ATOM 474 CG MET A 30 -12.722 -7.811 7.671 1.00 0.00 C ATOM 475 SD MET A 30 -13.053 -8.076 5.900 1.00 0.00 S ATOM 476 CE MET A 30 -12.313 -6.619 5.103 1.00 0.00 C ATOM 0 H MET A 30 -10.181 -9.484 6.529 1.00 0.00 H new ATOM 0 HA MET A 30 -10.488 -6.704 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.304 -9.328 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.332 -7.933 9.315 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.504 -8.326 8.228 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.840 -6.745 7.867 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.945 -6.296 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.226 -5.811 5.830 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.323 -6.875 4.725 1.00 0.00 H new ATOM 486 N GLY A 31 -8.153 -8.214 8.808 1.00 0.00 N ATOM 487 CA GLY A 31 -7.014 -7.936 9.674 1.00 0.00 C ATOM 488 C GLY A 31 -6.152 -6.836 9.063 1.00 0.00 C ATOM 489 O GLY A 31 -5.863 -5.831 9.719 1.00 0.00 O ATOM 0 H GLY A 31 -8.205 -9.182 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.363 -7.631 10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.421 -8.840 9.811 1.00 0.00 H new ATOM 493 N TRP A 32 -5.831 -6.983 7.772 1.00 0.00 N ATOM 494 CA TRP A 32 -5.155 -5.940 7.019 1.00 0.00 C ATOM 495 C TRP A 32 -5.973 -4.652 7.002 1.00 0.00 C ATOM 496 O TRP A 32 -5.418 -3.593 7.287 1.00 0.00 O ATOM 497 CB TRP A 32 -4.866 -6.419 5.592 1.00 0.00 C ATOM 498 CG TRP A 32 -3.639 -7.262 5.488 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.586 -8.569 5.157 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.261 -6.853 5.726 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.275 -8.998 5.169 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.412 -7.979 5.522 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.649 -5.636 6.094 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.020 -7.890 5.670 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.254 -5.539 6.240 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.562 -6.661 6.022 1.00 0.00 C ATOM 0 H TRP A 32 -6.034 -7.824 7.231 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.208 -5.723 7.513 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.721 -6.988 5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.759 -5.552 4.940 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.440 -9.186 4.919 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.980 -9.948 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.263 -4.764 6.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.600 -8.760 5.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.192 -4.597 6.521 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.634 -6.579 6.125 1.00 0.00 H new ATOM 517 N TYR A 33 -7.270 -4.736 6.699 1.00 0.00 N ATOM 518 CA TYR A 33 -8.127 -3.573 6.525 1.00 0.00 C ATOM 519 C TYR A 33 -8.128 -2.681 7.763 1.00 0.00 C ATOM 520 O TYR A 33 -7.881 -1.481 7.647 1.00 0.00 O ATOM 521 CB TYR A 33 -9.555 -4.024 6.193 1.00 0.00 C ATOM 522 CG TYR A 33 -10.547 -2.887 6.114 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.621 -2.107 4.951 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.355 -2.577 7.223 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.523 -1.034 4.883 1.00 0.00 C ATOM 526 CE2 TYR A 33 -12.241 -1.488 7.171 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.350 -0.727 5.985 1.00 0.00 C ATOM 528 OH TYR A 33 -13.252 0.289 5.903 1.00 0.00 O ATOM 0 H TYR A 33 -7.755 -5.624 6.567 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.730 -2.984 5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.547 -4.555 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.888 -4.733 6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.984 -2.332 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.294 -3.179 8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.585 -0.440 3.983 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.837 -1.233 8.035 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.565 0.375 4.978 1.00 0.00 H new ATOM 538 N TYR A 34 -8.392 -3.244 8.946 1.00 0.00 N ATOM 539 CA TYR A 34 -8.542 -2.439 10.148 1.00 0.00 C ATOM 540 C TYR A 34 -7.196 -1.891 10.621 1.00 0.00 C ATOM 541 O TYR A 34 -7.153 -0.774 11.131 1.00 0.00 O ATOM 542 CB TYR A 34 -9.251 -3.239 11.247 1.00 0.00 C ATOM 543 CG TYR A 34 -10.706 -3.560 10.934 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.645 -2.517 10.795 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.124 -4.895 10.781 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.992 -2.807 10.510 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.470 -5.194 10.500 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.412 -4.148 10.359 1.00 0.00 C ATOM 549 OH TYR A 34 -14.719 -4.417 10.080 1.00 0.00 O ATOM 0 H TYR A 34 -8.504 -4.247 9.090 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.168 -1.579 9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.710 -4.171 11.411 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.206 -2.676 12.179 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.329 -1.491 10.908 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.406 -5.696 10.880 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.706 -2.003 10.406 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.784 -6.222 10.392 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.845 -5.386 10.006 1.00 0.00 H new ATOM 559 N TYR A 35 -6.092 -2.621 10.427 1.00 0.00 N ATOM 560 CA TYR A 35 -4.755 -2.104 10.712 1.00 0.00 C ATOM 561 C TYR A 35 -4.407 -0.953 9.762 1.00 0.00 C ATOM 562 O TYR A 35 -3.866 0.062 10.211 1.00 0.00 O ATOM 563 CB TYR A 35 -3.763 -3.272 10.585 1.00 0.00 C ATOM 564 CG TYR A 35 -2.289 -2.915 10.490 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.525 -2.692 11.652 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.664 -2.880 9.228 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.139 -2.466 11.555 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.283 -2.642 9.121 1.00 0.00 C ATOM 569 CZ TYR A 35 0.493 -2.458 10.288 1.00 0.00 C ATOM 570 OH TYR A 35 1.846 -2.310 10.178 1.00 0.00 O ATOM 0 H TYR A 35 -6.102 -3.577 10.072 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.707 -1.696 11.722 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.899 -3.927 11.445 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.030 -3.849 9.700 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.004 -2.694 12.620 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.251 -3.037 8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.444 -2.298 12.449 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.185 -2.600 8.148 1.00 0.00 H new ATOM 0 HH TYR A 35 2.101 -2.330 9.232 1.00 0.00 H new ATOM 580 N LEU A 36 -4.738 -1.069 8.470 1.00 0.00 N ATOM 581 CA LEU A 36 -4.496 -0.014 7.503 1.00 0.00 C ATOM 582 C LEU A 36 -5.323 1.202 7.857 1.00 0.00 C ATOM 583 O LEU A 36 -4.716 2.259 8.016 1.00 0.00 O ATOM 584 CB LEU A 36 -4.791 -0.468 6.065 1.00 0.00 C ATOM 585 CG LEU A 36 -3.507 -0.650 5.240 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.537 -1.679 5.828 1.00 0.00 C ATOM 587 CD2 LEU A 36 -3.912 -1.111 3.840 1.00 0.00 C ATOM 0 H LEU A 36 -5.180 -1.899 8.075 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.437 0.241 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.342 -1.408 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.433 0.266 5.578 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.985 0.307 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.655 -1.753 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.238 -1.367 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.027 -2.651 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.019 -1.249 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.453 -2.055 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.553 -0.359 3.380 1.00 0.00 H new ATOM 599 N ASP A 37 -6.648 1.069 8.052 1.00 0.00 N ATOM 600 CA ASP A 37 -7.454 2.203 8.502 1.00 0.00 C ATOM 601 C ASP A 37 -6.812 2.784 9.713 1.00 0.00 C ATOM 602 O ASP A 37 -6.633 4.002 9.748 1.00 0.00 O ATOM 603 CB ASP A 37 -8.904 1.876 8.923 1.00 0.00 C ATOM 604 CG ASP A 37 -9.677 3.048 9.631 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.191 3.755 10.564 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.862 3.227 9.275 1.00 0.00 O ATOM 0 H ASP A 37 -7.168 0.204 7.907 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.503 2.866 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.464 1.576 8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.885 1.017 9.594 1.00 0.00 H new ATOM 611 N ASP A 38 -6.451 1.960 10.705 1.00 0.00 N ATOM 612 CA ASP A 38 -6.092 2.608 11.932 1.00 0.00 C ATOM 613 C ASP A 38 -4.848 3.474 11.805 1.00 0.00 C ATOM 614 O ASP A 38 -4.815 4.568 12.372 1.00 0.00 O ATOM 615 CB ASP A 38 -6.159 1.781 13.205 1.00 0.00 C ATOM 616 CG ASP A 38 -6.364 2.799 14.364 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.992 3.878 14.144 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.911 2.520 15.496 1.00 0.00 O ATOM 0 H ASP A 38 -6.406 0.941 10.678 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.927 3.289 12.094 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.980 1.066 13.163 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.243 1.207 13.347 1.00 0.00 H new ATOM 623 N THR A 39 -3.940 3.071 10.923 1.00 0.00 N ATOM 624 CA THR A 39 -2.699 3.777 10.696 1.00 0.00 C ATOM 625 C THR A 39 -2.971 5.051 9.875 1.00 0.00 C ATOM 626 O THR A 39 -2.476 6.129 10.206 1.00 0.00 O ATOM 627 CB THR A 39 -1.740 2.809 9.989 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.630 1.578 10.683 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.353 3.433 9.922 1.00 0.00 C ATOM 0 H THR A 39 -4.052 2.238 10.345 1.00 0.00 H new ATOM 0 HA THR A 39 -2.241 4.102 11.630 1.00 0.00 H new ATOM 0 HB THR A 39 -2.140 2.620 8.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.456 1.063 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.330 2.748 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.402 4.369 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.007 3.630 10.932 1.00 0.00 H new ATOM 637 N LEU A 40 -3.773 4.933 8.814 1.00 0.00 N ATOM 638 CA LEU A 40 -4.220 6.048 7.988 1.00 0.00 C ATOM 639 C LEU A 40 -5.048 7.039 8.824 1.00 0.00 C ATOM 640 O LEU A 40 -5.825 6.658 9.712 1.00 0.00 O ATOM 641 CB LEU A 40 -5.077 5.528 6.815 1.00 0.00 C ATOM 642 CG LEU A 40 -4.396 4.523 5.858 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.457 3.766 5.052 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.427 5.161 4.866 1.00 0.00 C ATOM 0 H LEU A 40 -4.137 4.033 8.501 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.340 6.559 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.969 5.057 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.410 6.385 6.230 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.820 3.859 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.969 3.060 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.113 3.224 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.045 4.475 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.993 4.387 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.962 5.880 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.633 5.672 5.410 1.00 0.00 H new ATOM 656 N GLU A 41 -4.955 8.318 8.462 1.00 0.00 N ATOM 657 CA GLU A 41 -5.739 9.422 9.011 1.00 0.00 C ATOM 658 C GLU A 41 -6.345 10.217 7.840 1.00 0.00 C ATOM 659 O GLU A 41 -6.191 11.435 7.727 1.00 0.00 O ATOM 660 CB GLU A 41 -4.868 10.265 9.963 1.00 0.00 C ATOM 661 CG GLU A 41 -4.481 9.515 11.248 1.00 0.00 C ATOM 662 CD GLU A 41 -5.679 9.305 12.198 1.00 0.00 C ATOM 663 OE1 GLU A 41 -6.013 10.235 12.967 1.00 0.00 O ATOM 664 OE2 GLU A 41 -6.291 8.210 12.207 1.00 0.00 O ATOM 0 H GLU A 41 -4.300 8.626 7.744 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.569 9.061 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.961 10.571 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.406 11.175 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.057 8.546 10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.703 10.073 11.769 1.00 0.00 H new ATOM 671 N PHE A 42 -7.001 9.489 6.928 1.00 0.00 N ATOM 672 CA PHE A 42 -7.821 10.042 5.848 1.00 0.00 C ATOM 673 C PHE A 42 -8.942 10.955 6.399 1.00 0.00 C ATOM 674 O PHE A 42 -9.291 10.824 7.579 1.00 0.00 O ATOM 675 CB PHE A 42 -8.349 8.868 5.003 1.00 0.00 C ATOM 676 CG PHE A 42 -9.151 7.802 5.737 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.460 8.077 6.184 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.628 6.501 5.887 1.00 0.00 C ATOM 679 CE1 PHE A 42 -11.239 7.062 6.764 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.407 5.488 6.474 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.715 5.766 6.904 1.00 0.00 C ATOM 0 H PHE A 42 -6.974 8.469 6.923 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.223 10.690 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.973 9.275 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.498 8.384 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.865 9.073 6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.626 6.282 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.242 7.278 7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.999 4.495 6.594 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.317 4.984 7.342 1.00 0.00 H new ATOM 691 N PRO A 43 -9.560 11.847 5.593 1.00 0.00 N ATOM 692 CA PRO A 43 -9.314 12.101 4.169 1.00 0.00 C ATOM 693 C PRO A 43 -7.924 12.694 3.915 1.00 0.00 C ATOM 694 O PRO A 43 -7.366 13.360 4.790 1.00 0.00 O ATOM 695 CB PRO A 43 -10.416 13.080 3.736 1.00 0.00 C ATOM 696 CG PRO A 43 -10.762 13.830 5.017 1.00 0.00 C ATOM 697 CD PRO A 43 -10.596 12.750 6.082 1.00 0.00 C ATOM 0 HA PRO A 43 -9.338 11.173 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.065 13.758 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.282 12.555 3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.094 14.674 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.777 14.226 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.310 13.188 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.532 12.216 6.243 1.00 0.00 H new ATOM 705 N PHE A 44 -7.366 12.461 2.723 1.00 0.00 N ATOM 706 CA PHE A 44 -6.086 13.043 2.316 1.00 0.00 C ATOM 707 C PHE A 44 -6.053 13.236 0.799 1.00 0.00 C ATOM 708 O PHE A 44 -6.813 12.598 0.078 1.00 0.00 O ATOM 709 CB PHE A 44 -4.912 12.178 2.815 1.00 0.00 C ATOM 710 CG PHE A 44 -4.815 10.749 2.296 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.322 10.504 1.004 1.00 0.00 C ATOM 712 CD2 PHE A 44 -5.136 9.652 3.119 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.162 9.198 0.520 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.987 8.337 2.638 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.498 8.107 1.339 1.00 0.00 C ATOM 0 H PHE A 44 -7.790 11.863 2.014 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.978 14.025 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.985 12.691 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.964 12.137 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.061 11.339 0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.498 9.820 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.782 9.031 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.249 7.501 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.382 7.097 0.973 1.00 0.00 H new ATOM 725 N MET A 45 -5.177 14.102 0.290 1.00 0.00 N ATOM 726 CA MET A 45 -5.000 14.279 -1.151 1.00 0.00 C ATOM 727 C MET A 45 -4.031 13.210 -1.656 1.00 0.00 C ATOM 728 O MET A 45 -3.048 12.925 -0.972 1.00 0.00 O ATOM 729 CB MET A 45 -4.444 15.688 -1.403 1.00 0.00 C ATOM 730 CG MET A 45 -4.295 15.990 -2.894 1.00 0.00 C ATOM 731 SD MET A 45 -3.470 17.562 -3.237 1.00 0.00 S ATOM 732 CE MET A 45 -3.358 17.375 -5.030 1.00 0.00 C ATOM 0 H MET A 45 -4.575 14.696 0.860 1.00 0.00 H new ATOM 0 HA MET A 45 -5.946 14.174 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.106 16.425 -0.949 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.474 15.787 -0.915 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.732 15.184 -3.365 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.283 16.000 -3.354 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.748 18.179 -5.442 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.901 16.414 -5.268 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.357 17.419 -5.463 1.00 0.00 H new ATOM 742 N GLY A 46 -4.233 12.648 -2.849 1.00 0.00 N ATOM 743 CA GLY A 46 -3.296 11.688 -3.408 1.00 0.00 C ATOM 744 C GLY A 46 -3.305 11.692 -4.925 1.00 0.00 C ATOM 745 O GLY A 46 -4.180 12.273 -5.568 1.00 0.00 O ATOM 0 H GLY A 46 -5.039 12.845 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.291 11.915 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.544 10.690 -3.048 1.00 0.00 H new ATOM 749 N LYS A 47 -2.300 11.045 -5.504 1.00 0.00 N ATOM 750 CA LYS A 47 -2.274 10.759 -6.929 1.00 0.00 C ATOM 751 C LYS A 47 -2.814 9.344 -7.098 1.00 0.00 C ATOM 752 O LYS A 47 -2.313 8.413 -6.464 1.00 0.00 O ATOM 753 CB LYS A 47 -0.838 10.866 -7.481 1.00 0.00 C ATOM 754 CG LYS A 47 -0.815 11.015 -9.013 1.00 0.00 C ATOM 755 CD LYS A 47 -1.164 12.443 -9.479 1.00 0.00 C ATOM 756 CE LYS A 47 -0.006 13.439 -9.309 1.00 0.00 C ATOM 757 NZ LYS A 47 0.994 13.349 -10.402 1.00 0.00 N ATOM 0 H LYS A 47 -1.482 10.705 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.879 11.476 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.338 11.722 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.273 9.979 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.174 10.748 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.522 10.311 -9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.457 12.414 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.027 12.800 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.406 14.452 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.488 13.256 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.875 13.815 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.186 12.349 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.623 13.819 -11.252 1.00 0.00 H new ATOM 771 N TRP A 48 -3.838 9.179 -7.929 1.00 0.00 N ATOM 772 CA TRP A 48 -4.302 7.874 -8.356 1.00 0.00 C ATOM 773 C TRP A 48 -3.370 7.499 -9.505 1.00 0.00 C ATOM 774 O TRP A 48 -3.483 8.037 -10.606 1.00 0.00 O ATOM 775 CB TRP A 48 -5.781 7.943 -8.774 1.00 0.00 C ATOM 776 CG TRP A 48 -6.452 6.644 -9.119 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.877 5.420 -9.133 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.850 6.415 -9.480 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.799 4.464 -9.497 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.044 5.018 -9.703 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.983 7.247 -9.617 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.297 4.477 -10.032 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.248 6.715 -9.938 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.405 5.333 -10.145 1.00 0.00 C ATOM 0 H TRP A 48 -4.369 9.955 -8.325 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.269 7.120 -7.569 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.341 8.409 -7.963 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.859 8.605 -9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.843 5.221 -8.893 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.587 3.472 -9.601 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.878 8.312 -9.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.408 3.415 -10.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.101 7.372 -10.025 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.376 4.930 -10.391 1.00 0.00 H new ATOM 795 N LYS A 49 -2.406 6.624 -9.235 1.00 0.00 N ATOM 796 CA LYS A 49 -1.430 6.106 -10.185 1.00 0.00 C ATOM 797 C LYS A 49 -2.031 4.821 -10.764 1.00 0.00 C ATOM 798 O LYS A 49 -1.558 3.714 -10.500 1.00 0.00 O ATOM 799 CB LYS A 49 -0.106 5.852 -9.444 1.00 0.00 C ATOM 800 CG LYS A 49 0.521 7.128 -8.859 1.00 0.00 C ATOM 801 CD LYS A 49 1.731 6.808 -7.975 1.00 0.00 C ATOM 802 CE LYS A 49 2.972 6.368 -8.762 1.00 0.00 C ATOM 803 NZ LYS A 49 4.056 5.919 -7.853 1.00 0.00 N ATOM 0 H LYS A 49 -2.279 6.238 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.214 6.802 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.280 5.139 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.603 5.390 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.827 7.789 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.225 7.666 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.981 7.689 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.459 6.020 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.706 5.559 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.328 7.195 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.972 6.001 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.062 6.514 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.894 4.928 -7.583 1.00 0.00 H new ATOM 817 N LYS A 50 -3.160 4.970 -11.455 1.00 0.00 N ATOM 818 CA LYS A 50 -3.976 3.865 -11.942 1.00 0.00 C ATOM 819 C LYS A 50 -3.127 2.990 -12.856 1.00 0.00 C ATOM 820 O LYS A 50 -2.678 3.467 -13.897 1.00 0.00 O ATOM 821 CB LYS A 50 -5.229 4.420 -12.637 1.00 0.00 C ATOM 822 CG LYS A 50 -6.219 3.306 -13.012 1.00 0.00 C ATOM 823 CD LYS A 50 -7.570 3.905 -13.435 1.00 0.00 C ATOM 824 CE LYS A 50 -8.513 2.909 -14.133 1.00 0.00 C ATOM 825 NZ LYS A 50 -8.815 1.700 -13.326 1.00 0.00 N ATOM 0 H LYS A 50 -3.540 5.885 -11.696 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.322 3.240 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.721 5.136 -11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.935 4.962 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.810 2.707 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.361 2.637 -12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.070 4.303 -12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.388 4.746 -14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.447 3.416 -14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.065 2.601 -15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.454 1.077 -13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.932 1.192 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.271 1.982 -12.435 1.00 0.00 H new ATOM 976 N GLU A 59 -0.721 5.257 -15.130 1.00 0.00 N ATOM 977 CA GLU A 59 -1.297 6.482 -15.648 1.00 0.00 C ATOM 978 C GLU A 59 -1.714 7.258 -14.393 1.00 0.00 C ATOM 979 O GLU A 59 -1.972 6.648 -13.352 1.00 0.00 O ATOM 980 CB GLU A 59 -2.458 6.166 -16.602 1.00 0.00 C ATOM 981 CG GLU A 59 -3.031 7.425 -17.267 1.00 0.00 C ATOM 982 CD GLU A 59 -1.948 8.287 -17.936 1.00 0.00 C ATOM 983 OE1 GLU A 59 -1.537 7.968 -19.074 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.492 9.269 -17.308 1.00 0.00 O ATOM 0 HA GLU A 59 -0.610 7.075 -16.252 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.113 5.477 -17.373 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.249 5.658 -16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.770 7.133 -18.013 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.553 8.021 -16.518 1.00 0.00 H new ATOM 991 N GLU A 60 -1.770 8.586 -14.450 1.00 0.00 N ATOM 992 CA GLU A 60 -1.923 9.403 -13.250 1.00 0.00 C ATOM 993 C GLU A 60 -3.116 10.350 -13.344 1.00 0.00 C ATOM 994 O GLU A 60 -3.348 10.979 -14.381 1.00 0.00 O ATOM 995 CB GLU A 60 -0.629 10.197 -13.007 1.00 0.00 C ATOM 996 CG GLU A 60 0.554 9.301 -12.613 1.00 0.00 C ATOM 997 CD GLU A 60 1.832 10.122 -12.372 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.859 10.944 -11.427 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.821 9.951 -13.122 1.00 0.00 O ATOM 0 H GLU A 60 -1.712 9.120 -15.317 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.114 8.735 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.374 10.752 -13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.801 10.931 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.304 8.743 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.734 8.569 -13.400 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.833 10.489 -12.224 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.871 11.493 -11.998 1.00 0.00 C ATOM 1008 C LYS A 61 -4.672 12.017 -10.582 1.00 0.00 C ATOM 1009 O LYS A 61 -4.139 11.299 -9.736 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.280 10.893 -12.130 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.635 10.501 -13.572 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.152 10.361 -13.755 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.768 9.229 -12.922 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.244 9.206 -13.067 1.00 0.00 N ATOM 0 H LYS A 61 -3.698 9.878 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.789 12.285 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.355 10.013 -11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.011 11.614 -11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.252 11.254 -14.261 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.148 9.560 -13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.631 11.302 -13.485 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.368 10.185 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.353 8.272 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.504 9.360 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.651 8.549 -12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.624 10.161 -12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.494 8.892 -14.026 1.00 0.00 H new ATOM 1028 N THR A 62 -5.118 13.234 -10.298 1.00 0.00 N ATOM 1029 CA THR A 62 -4.934 13.853 -8.992 1.00 0.00 C ATOM 1030 C THR A 62 -6.300 13.863 -8.311 1.00 0.00 C ATOM 1031 O THR A 62 -7.278 14.341 -8.895 1.00 0.00 O ATOM 1032 CB THR A 62 -4.309 15.243 -9.184 1.00 0.00 C ATOM 1033 OG1 THR A 62 -3.155 15.152 -10.004 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.869 15.837 -7.850 1.00 0.00 C ATOM 0 H THR A 62 -5.618 13.820 -10.967 1.00 0.00 H new ATOM 0 HA THR A 62 -4.245 13.307 -8.347 1.00 0.00 H new ATOM 0 HB THR A 62 -5.068 15.876 -9.644 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.766 16.044 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.430 16.821 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.732 15.932 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.129 15.184 -7.387 1.00 0.00 H new ATOM 1042 N VAL A 63 -6.383 13.308 -7.100 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.644 13.044 -6.424 1.00 0.00 C ATOM 1044 C VAL A 63 -7.550 13.443 -4.946 1.00 0.00 C ATOM 1045 O VAL A 63 -6.466 13.627 -4.391 1.00 0.00 O ATOM 1046 CB VAL A 63 -8.065 11.563 -6.613 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -8.068 11.126 -8.092 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -7.178 10.566 -5.848 1.00 0.00 C ATOM 0 H VAL A 63 -5.564 13.028 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.426 13.655 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.076 11.535 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.370 10.081 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.768 11.745 -8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.067 11.243 -8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.533 9.551 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.148 10.657 -6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.224 10.783 -4.781 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.699 13.551 -4.292 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.816 13.704 -2.849 1.00 0.00 C ATOM 1060 C GLU A 64 -9.502 12.432 -2.365 1.00 0.00 C ATOM 1061 O GLU A 64 -10.609 12.139 -2.808 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.601 14.982 -2.508 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.697 15.185 -0.990 1.00 0.00 C ATOM 1064 CD GLU A 64 -10.336 16.541 -0.640 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.583 16.654 -0.635 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.596 17.507 -0.348 1.00 0.00 O ATOM 0 H GLU A 64 -9.602 13.534 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.852 13.823 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.113 15.844 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.603 14.921 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.286 14.380 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.701 15.127 -0.551 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.842 11.633 -1.531 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.434 10.426 -0.972 1.00 0.00 C ATOM 1075 C VAL A 65 -10.312 10.856 0.197 1.00 0.00 C ATOM 1076 O VAL A 65 -9.868 11.616 1.061 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.395 9.338 -0.603 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.212 9.283 -1.588 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.855 9.355 0.831 1.00 0.00 C ATOM 0 H VAL A 65 -7.884 11.805 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.043 9.929 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.996 8.432 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.517 8.502 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.582 9.063 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.699 10.244 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.138 8.544 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.363 10.309 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.679 9.224 1.532 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.553 10.377 0.231 1.00 0.00 N ATOM 1090 CA LEU A 66 -12.486 10.694 1.303 1.00 0.00 C ATOM 1091 C LEU A 66 -12.315 9.711 2.459 1.00 0.00 C ATOM 1092 O LEU A 66 -12.609 10.054 3.604 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.939 10.704 0.797 1.00 0.00 C ATOM 1094 CG LEU A 66 -14.270 11.739 -0.301 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.597 13.102 -0.072 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.919 11.231 -1.704 1.00 0.00 C ATOM 0 H LEU A 66 -11.937 9.759 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.261 11.697 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.176 9.711 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.597 10.884 1.647 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.349 11.880 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.870 13.783 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.928 13.516 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.515 12.975 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.170 11.994 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.852 11.014 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.485 10.323 -1.914 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.815 8.506 2.178 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.526 7.489 3.158 1.00 0.00 C ATOM 1110 C GLY A 67 -11.439 6.142 2.470 1.00 0.00 C ATOM 1111 O GLY A 67 -11.668 6.029 1.263 1.00 0.00 O ATOM 0 H GLY A 67 -11.597 8.214 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.587 7.713 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.304 7.471 3.921 1.00 0.00 H new ATOM 1115 N MET A 68 -11.090 5.115 3.237 1.00 0.00 N ATOM 1116 CA MET A 68 -11.181 3.742 2.759 1.00 0.00 C ATOM 1117 C MET A 68 -12.640 3.407 2.450 1.00 0.00 C ATOM 1118 O MET A 68 -13.562 3.920 3.094 1.00 0.00 O ATOM 1119 CB MET A 68 -10.605 2.746 3.773 1.00 0.00 C ATOM 1120 CG MET A 68 -9.081 2.853 3.883 1.00 0.00 C ATOM 1121 SD MET A 68 -8.349 1.626 4.998 1.00 0.00 S ATOM 1122 CE MET A 68 -8.277 0.181 3.906 1.00 0.00 C ATOM 0 H MET A 68 -10.742 5.208 4.191 1.00 0.00 H new ATOM 0 HA MET A 68 -10.585 3.657 1.850 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.052 2.925 4.751 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.877 1.732 3.479 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.644 2.737 2.891 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.819 3.852 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.035 -0.706 4.492 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.243 0.043 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.509 0.336 3.148 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.835 2.533 1.463 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.134 1.931 1.189 1.00 0.00 C ATOM 1134 C ALA A 69 -14.527 1.069 2.409 1.00 0.00 C ATOM 1135 O ALA A 69 -13.657 0.755 3.230 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.014 1.103 -0.097 1.00 0.00 C ATOM 0 H ALA A 69 -12.095 2.224 0.832 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.913 2.678 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.975 0.641 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.720 1.752 -0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.262 0.326 0.039 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.797 0.661 2.567 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.184 -0.206 3.673 1.00 0.00 C ATOM 1144 C PRO A 70 -15.501 -1.574 3.569 1.00 0.00 C ATOM 1145 O PRO A 70 -15.093 -2.014 2.488 1.00 0.00 O ATOM 1146 CB PRO A 70 -17.713 -0.307 3.607 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.030 -0.016 2.141 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.956 1.000 1.756 1.00 0.00 C ATOM 0 HA PRO A 70 -15.868 0.196 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.063 -1.296 3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.191 0.413 4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.973 -0.916 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.034 0.390 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.723 0.942 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.290 2.019 1.954 1.00 0.00 H new ATOM 1156 N ASP A 71 -15.460 -2.291 4.694 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.014 -3.682 4.764 1.00 0.00 C ATOM 1158 C ASP A 71 -15.806 -4.575 3.804 1.00 0.00 C ATOM 1159 O ASP A 71 -15.260 -5.543 3.285 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.123 -4.231 6.195 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.569 -4.560 6.607 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.364 -3.618 6.826 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -16.914 -5.756 6.734 1.00 0.00 O ATOM 0 H ASP A 71 -15.741 -1.913 5.599 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.966 -3.695 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.514 -5.131 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.711 -3.500 6.891 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.062 -4.216 3.514 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.933 -4.929 2.580 1.00 0.00 C ATOM 1170 C ASP A 72 -17.361 -4.968 1.159 1.00 0.00 C ATOM 1171 O ASP A 72 -17.626 -5.911 0.413 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.316 -4.268 2.564 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.271 -4.986 1.594 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.707 -6.120 1.898 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.635 -4.400 0.550 1.00 0.00 O ATOM 0 H ASP A 72 -17.509 -3.401 3.934 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.010 -5.960 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.738 -4.281 3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.218 -3.222 2.273 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.545 -3.976 0.793 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.858 -3.926 -0.493 1.00 0.00 C ATOM 1182 C GLU A 73 -14.400 -4.357 -0.330 1.00 0.00 C ATOM 1183 O GLU A 73 -13.863 -5.034 -1.207 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.954 -2.516 -1.100 1.00 0.00 C ATOM 1185 CG GLU A 73 -17.392 -2.189 -1.530 1.00 0.00 C ATOM 1186 CD GLU A 73 -17.474 -0.879 -2.333 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.146 -0.883 -3.542 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.911 0.155 -1.779 1.00 0.00 O ATOM 0 H GLU A 73 -16.343 -3.176 1.392 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.344 -4.620 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.614 -1.780 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.289 -2.442 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.784 -3.008 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.025 -2.112 -0.646 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.764 -4.051 0.806 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.356 -4.367 1.045 1.00 0.00 C ATOM 1197 C CYS A 74 -12.098 -5.849 1.381 1.00 0.00 C ATOM 1198 O CYS A 74 -11.103 -6.185 2.020 1.00 0.00 O ATOM 1199 CB CYS A 74 -11.763 -3.417 2.086 1.00 0.00 C ATOM 1200 SG CYS A 74 -11.879 -1.711 1.476 1.00 0.00 S ATOM 0 H CYS A 74 -14.215 -3.575 1.587 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.833 -4.208 0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.298 -3.515 3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.722 -3.676 2.280 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.590 -1.002 2.302 1.00 0.00 H new ATOM 1206 N LEU A 75 -12.991 -6.743 0.953 1.00 0.00 N ATOM 1207 CA LEU A 75 -12.888 -8.198 1.069 1.00 0.00 C ATOM 1208 C LEU A 75 -12.146 -8.815 -0.128 1.00 0.00 C ATOM 1209 O LEU A 75 -12.037 -10.039 -0.214 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.319 -8.768 1.167 1.00 0.00 C ATOM 1211 CG LEU A 75 -14.814 -8.840 2.622 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.343 -8.882 2.663 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.243 -10.077 3.323 1.00 0.00 C ATOM 0 H LEU A 75 -13.853 -6.455 0.491 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.311 -8.449 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.998 -8.145 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.343 -9.765 0.726 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.469 -7.948 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.678 -8.933 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.744 -7.983 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.697 -9.760 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.604 -10.112 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.564 -10.975 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.154 -10.026 3.322 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.663 -7.990 -1.064 1.00 0.00 N ATOM 1226 CA LYS A 76 -11.129 -8.427 -2.360 1.00 0.00 C ATOM 1227 C LYS A 76 -9.789 -7.759 -2.662 1.00 0.00 C ATOM 1228 O LYS A 76 -8.897 -8.399 -3.216 1.00 0.00 O ATOM 1229 CB LYS A 76 -12.141 -8.127 -3.480 1.00 0.00 C ATOM 1230 CG LYS A 76 -13.477 -8.867 -3.282 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.465 -8.630 -4.431 1.00 0.00 C ATOM 1232 CE LYS A 76 -14.007 -9.307 -5.731 1.00 0.00 C ATOM 1233 NZ LYS A 76 -14.985 -9.126 -6.833 1.00 0.00 N ATOM 0 H LYS A 76 -11.632 -6.978 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.962 -9.503 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.326 -7.054 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.710 -8.412 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.285 -9.936 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.931 -8.543 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.447 -9.011 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.575 -7.559 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.043 -8.897 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.858 -10.372 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.634 -9.599 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.898 -9.540 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.109 -8.111 -7.024 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.644 -6.492 -2.282 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.400 -5.725 -2.271 1.00 0.00 C ATOM 1249 C ASP A 77 -8.637 -4.556 -1.311 1.00 0.00 C ATOM 1250 O ASP A 77 -9.760 -4.397 -0.826 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.018 -5.214 -3.675 1.00 0.00 C ATOM 1252 CG ASP A 77 -6.578 -4.675 -3.712 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.756 -5.121 -2.883 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.251 -3.830 -4.575 1.00 0.00 O ATOM 0 H ASP A 77 -10.437 -5.941 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.567 -6.351 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.122 -6.023 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.709 -4.427 -3.976 1.00 0.00 H new ATOM 1259 N MET A 78 -7.634 -3.737 -1.003 1.00 0.00 N ATOM 1260 CA MET A 78 -7.858 -2.499 -0.256 1.00 0.00 C ATOM 1261 C MET A 78 -8.319 -1.419 -1.238 1.00 0.00 C ATOM 1262 O MET A 78 -7.703 -1.246 -2.293 1.00 0.00 O ATOM 1263 CB MET A 78 -6.572 -2.081 0.468 1.00 0.00 C ATOM 1264 CG MET A 78 -6.151 -3.084 1.548 1.00 0.00 C ATOM 1265 SD MET A 78 -7.298 -3.302 2.940 1.00 0.00 S ATOM 1266 CE MET A 78 -8.089 -4.865 2.462 1.00 0.00 C ATOM 0 H MET A 78 -6.661 -3.906 -1.258 1.00 0.00 H new ATOM 0 HA MET A 78 -8.627 -2.646 0.502 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.767 -1.977 -0.260 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.718 -1.102 0.924 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.001 -4.054 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.186 -2.772 1.947 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.678 -5.245 3.297 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.741 -4.696 1.605 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.323 -5.594 2.197 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.356 -0.653 -0.887 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.944 0.367 -1.756 1.00 0.00 C ATOM 1278 C TYR A 79 -10.216 1.647 -0.968 1.00 0.00 C ATOM 1279 O TYR A 79 -10.338 1.624 0.259 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.262 -0.129 -2.375 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.218 -1.398 -3.204 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.886 -1.353 -4.572 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.611 -2.617 -2.623 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -10.937 -2.524 -5.353 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.663 -3.789 -3.395 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.323 -3.752 -4.763 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.377 -4.902 -5.494 1.00 0.00 O ATOM 0 H TYR A 79 -9.816 -0.726 0.021 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.230 0.572 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.976 -0.282 -1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.658 0.669 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.591 -0.417 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.875 -2.652 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.682 -2.485 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.964 -4.721 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.187 -5.668 -4.913 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.347 2.758 -1.689 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.552 4.095 -1.152 1.00 0.00 C ATOM 1299 C VAL A 80 -11.565 4.806 -2.043 1.00 0.00 C ATOM 1300 O VAL A 80 -11.537 4.654 -3.264 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.215 4.870 -1.063 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.401 4.478 0.176 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.313 4.690 -2.297 1.00 0.00 C ATOM 0 H VAL A 80 -10.311 2.747 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.939 4.040 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.518 5.915 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.472 5.047 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.979 4.695 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.173 3.413 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.395 5.262 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.069 3.635 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.836 5.046 -3.185 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.471 5.565 -1.436 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.366 6.463 -2.150 1.00 0.00 C ATOM 1315 C GLU A 81 -12.564 7.723 -2.468 1.00 0.00 C ATOM 1316 O GLU A 81 -11.843 8.221 -1.598 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.588 6.804 -1.286 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.476 5.577 -1.036 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.757 5.958 -0.272 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.741 5.989 0.979 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.801 6.213 -0.915 1.00 0.00 O ATOM 0 H GLU A 81 -12.604 5.573 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.738 5.998 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.255 7.211 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.174 7.581 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.741 5.118 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.919 4.832 -0.467 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.678 8.249 -3.687 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.846 9.354 -4.154 1.00 0.00 C ATOM 1330 C VAL A 82 -12.689 10.340 -4.958 1.00 0.00 C ATOM 1331 O VAL A 82 -13.612 9.935 -5.659 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.618 8.838 -4.943 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.778 7.825 -4.148 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.961 8.202 -6.299 1.00 0.00 C ATOM 0 H VAL A 82 -13.351 7.919 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.450 9.889 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.041 9.746 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.932 7.500 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.412 8.293 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.394 6.963 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.045 7.867 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.622 7.349 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.460 8.938 -6.930 1.00 0.00 H new ATOM 1344 N ALA A 83 -12.360 11.627 -4.888 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.990 12.694 -5.644 1.00 0.00 C ATOM 1346 C ALA A 83 -11.944 13.133 -6.651 1.00 0.00 C ATOM 1347 O ALA A 83 -10.812 13.446 -6.276 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.403 13.846 -4.723 1.00 0.00 C ATOM 0 H ALA A 83 -11.616 11.964 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.906 12.365 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.873 14.633 -5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.109 13.481 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.521 14.245 -4.222 1.00 0.00 H new ATOM 1354 N ASP A 84 -12.295 13.091 -7.930 1.00 0.00 N ATOM 1355 CA ASP A 84 -11.337 13.271 -9.009 1.00 0.00 C ATOM 1356 C ASP A 84 -11.147 14.758 -9.275 1.00 0.00 C ATOM 1357 O ASP A 84 -11.856 15.347 -10.093 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.807 12.500 -10.246 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.791 12.501 -11.393 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.756 13.198 -11.317 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.038 11.760 -12.370 1.00 0.00 O ATOM 0 H ASP A 84 -13.251 12.931 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.364 12.867 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.020 11.470 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.742 12.933 -10.600 1.00 0.00 H new ATOM 1366 N ILE A 85 -10.224 15.374 -8.531 1.00 0.00 N ATOM 1367 CA ILE A 85 -9.923 16.802 -8.603 1.00 0.00 C ATOM 1368 C ILE A 85 -9.534 17.163 -10.046 1.00 0.00 C ATOM 1369 O ILE A 85 -9.987 18.181 -10.574 1.00 0.00 O ATOM 1370 CB ILE A 85 -8.795 17.210 -7.618 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -8.891 16.605 -6.198 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -8.769 18.741 -7.461 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -7.595 16.814 -5.398 1.00 0.00 C ATOM 0 H ILE A 85 -9.653 14.879 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.815 17.355 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.888 16.810 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.725 17.061 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.105 15.539 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.976 19.022 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.585 19.203 -8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.728 19.083 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.704 16.374 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.765 16.335 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.395 17.881 -5.302 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.452 11.551 -7.434 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.751 10.646 -6.531 1.00 0.00 C ATOM 1459 C VAL A 92 -16.744 9.247 -7.161 1.00 0.00 C ATOM 1460 O VAL A 92 -17.679 8.846 -7.860 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.390 10.660 -5.120 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -16.529 9.932 -4.076 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.639 12.085 -4.588 1.00 0.00 C ATOM 0 HA VAL A 92 -15.720 10.973 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.340 10.143 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -17.023 9.972 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.398 8.892 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.554 10.415 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -18.088 12.030 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.692 12.622 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.313 12.613 -5.263 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.661 8.526 -6.898 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.275 7.262 -7.498 1.00 0.00 C ATOM 1475 C TYR A 93 -14.687 6.371 -6.396 1.00 0.00 C ATOM 1476 O TYR A 93 -14.590 6.777 -5.235 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.226 7.535 -8.596 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.671 8.449 -9.726 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -14.538 9.848 -9.605 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -15.189 7.896 -10.913 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -14.926 10.690 -10.663 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -15.561 8.732 -11.981 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.425 10.134 -11.863 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.752 10.951 -12.904 1.00 0.00 O ATOM 0 H TYR A 93 -14.980 8.837 -6.206 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.131 6.760 -7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.343 7.971 -8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.921 6.581 -9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.137 10.274 -8.697 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.301 6.826 -11.004 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.843 11.762 -10.558 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.951 8.302 -12.892 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.078 10.411 -13.654 1.00 0.00 H new ATOM 1494 N THR A 94 -14.233 5.180 -6.776 1.00 0.00 N ATOM 1495 CA THR A 94 -13.483 4.280 -5.910 1.00 0.00 C ATOM 1496 C THR A 94 -12.222 3.870 -6.671 1.00 0.00 C ATOM 1497 O THR A 94 -12.275 3.608 -7.876 1.00 0.00 O ATOM 1498 CB THR A 94 -14.354 3.077 -5.491 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.657 3.492 -5.115 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.751 2.320 -4.304 1.00 0.00 C ATOM 0 H THR A 94 -14.380 4.807 -7.714 1.00 0.00 H new ATOM 0 HA THR A 94 -13.194 4.768 -4.979 1.00 0.00 H new ATOM 0 HB THR A 94 -14.399 2.423 -6.361 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.187 2.710 -4.856 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.396 1.481 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.763 1.948 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.665 2.992 -3.450 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.098 3.825 -5.959 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.791 3.445 -6.465 1.00 0.00 C ATOM 1510 C ALA A 95 -9.248 2.336 -5.567 1.00 0.00 C ATOM 1511 O ALA A 95 -9.681 2.186 -4.422 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.868 4.671 -6.456 1.00 0.00 C ATOM 0 H ALA A 95 -11.078 4.065 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.853 3.081 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.886 4.390 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.292 5.450 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.770 5.045 -5.437 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.284 1.561 -6.065 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.561 0.627 -5.218 1.00 0.00 C ATOM 1520 C LYS A 96 -6.562 1.457 -4.426 1.00 0.00 C ATOM 1521 O LYS A 96 -5.904 2.327 -5.001 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.787 -0.420 -6.040 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.602 -1.484 -6.793 1.00 0.00 C ATOM 1524 CD LYS A 96 -8.417 -1.026 -8.016 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.630 -0.279 -9.112 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.504 -1.060 -9.689 1.00 0.00 N ATOM 0 H LYS A 96 -7.992 1.565 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.265 0.087 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.175 0.112 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.103 -0.936 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.914 -2.264 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.290 -1.944 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.884 -1.902 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.222 -0.378 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.316 -0.004 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.239 0.649 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.166 -0.594 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.728 -1.112 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.829 -2.021 -9.918 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.371 1.155 -3.144 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.261 1.740 -2.388 1.00 0.00 C ATOM 1542 C LEU A 97 -3.941 1.295 -3.044 1.00 0.00 C ATOM 1543 O LEU A 97 -2.964 2.038 -3.067 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.323 1.295 -0.919 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.254 1.964 -0.028 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.472 3.477 0.104 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.297 1.329 1.362 1.00 0.00 C ATOM 0 H LEU A 97 -6.961 0.517 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.327 2.828 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.312 1.522 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.201 0.213 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.283 1.809 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.695 3.902 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.427 3.939 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.449 3.666 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.545 1.795 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.285 1.477 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.092 0.262 1.281 1.00 0.00 H new ATOM 1559 N SER A 98 -3.964 0.109 -3.657 1.00 0.00 N ATOM 1560 CA SER A 98 -2.921 -0.507 -4.469 1.00 0.00 C ATOM 1561 C SER A 98 -2.529 0.300 -5.719 1.00 0.00 C ATOM 1562 O SER A 98 -1.583 -0.070 -6.418 1.00 0.00 O ATOM 1563 CB SER A 98 -3.471 -1.875 -4.889 1.00 0.00 C ATOM 1564 OG SER A 98 -4.067 -2.525 -3.776 1.00 0.00 O ATOM 0 H SER A 98 -4.784 -0.493 -3.590 1.00 0.00 H new ATOM 0 HA SER A 98 -2.007 -0.568 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.206 -1.751 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.667 -2.491 -5.292 1.00 0.00 H new ATOM 0 HG SER A 98 -5.000 -2.741 -3.984 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.259 1.377 -6.009 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.076 2.260 -7.160 1.00 0.00 C ATOM 1572 C ASP A 99 -2.975 3.721 -6.689 1.00 0.00 C ATOM 1573 O ASP A 99 -3.021 4.629 -7.510 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.248 2.112 -8.156 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.239 0.858 -9.027 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.123 -0.273 -8.501 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.503 0.976 -10.245 1.00 0.00 O ATOM 0 H ASP A 99 -4.035 1.672 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.153 1.978 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.181 2.131 -7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.253 2.984 -8.811 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.850 3.993 -5.389 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.840 5.344 -4.824 1.00 0.00 C ATOM 1584 C ILE A 100 -1.492 5.593 -4.154 1.00 0.00 C ATOM 1585 O ILE A 100 -0.865 4.691 -3.594 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.060 5.522 -3.880 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.303 5.899 -4.719 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.871 6.495 -2.695 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.554 7.394 -4.941 1.00 0.00 C ATOM 0 H ILE A 100 -2.751 3.263 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.947 6.101 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.193 4.556 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.214 5.420 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.182 5.474 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.789 6.536 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.053 6.146 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.638 7.490 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.453 7.527 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.686 7.888 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.702 7.833 -5.460 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.085 6.857 -4.190 1.00 0.00 N ATOM 1602 CA GLU A 101 0.057 7.391 -3.466 1.00 0.00 C ATOM 1603 C GLU A 101 -0.419 8.708 -2.854 1.00 0.00 C ATOM 1604 O GLU A 101 -0.990 9.540 -3.560 1.00 0.00 O ATOM 1605 CB GLU A 101 1.226 7.579 -4.446 1.00 0.00 C ATOM 1606 CG GLU A 101 2.527 8.008 -3.755 1.00 0.00 C ATOM 1607 CD GLU A 101 3.648 8.287 -4.773 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.090 7.348 -5.476 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.110 9.447 -4.871 1.00 0.00 O ATOM 0 H GLU A 101 -1.563 7.564 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 101 0.418 6.730 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.397 6.645 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.952 8.328 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.345 8.903 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.848 7.227 -3.066 1.00 0.00 H new ATOM 1616 N ALA A 102 -0.251 8.894 -1.543 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.691 10.119 -0.888 1.00 0.00 C ATOM 1618 C ALA A 102 0.251 11.276 -1.217 1.00 0.00 C ATOM 1619 O ALA A 102 1.425 11.086 -1.543 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.760 9.932 0.625 1.00 0.00 C ATOM 0 H ALA A 102 0.185 8.214 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.688 10.354 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.091 10.860 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.465 9.135 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.227 9.667 1.004 1.00 0.00 H new ATOM 1626 N ILE A 103 -0.275 12.485 -1.055 1.00 0.00 N ATOM 1627 CA ILE A 103 0.437 13.742 -1.231 1.00 0.00 C ATOM 1628 C ILE A 103 0.266 14.543 0.064 1.00 0.00 C ATOM 1629 O ILE A 103 -0.850 14.695 0.565 1.00 0.00 O ATOM 1630 CB ILE A 103 -0.119 14.488 -2.471 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.047 13.675 -3.780 1.00 0.00 C ATOM 1632 CG2 ILE A 103 0.555 15.862 -2.639 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.798 14.217 -4.940 1.00 0.00 C ATOM 0 H ILE A 103 -1.250 12.620 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 103 1.500 13.587 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.185 14.622 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.097 13.679 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.228 12.637 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.146 16.363 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.368 16.470 -1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.629 15.727 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.636 13.603 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.853 14.188 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.507 15.246 -5.153 1.00 0.00 H new ATOM 1645 N ASP A 104 1.384 15.081 0.566 1.00 0.00 N ATOM 1646 CA ASP A 104 1.460 15.992 1.714 1.00 0.00 C ATOM 1647 C ASP A 104 0.648 15.504 2.925 1.00 0.00 C ATOM 1648 O ASP A 104 -0.099 16.259 3.553 1.00 0.00 O ATOM 1649 CB ASP A 104 1.115 17.422 1.269 1.00 0.00 C ATOM 1650 CG ASP A 104 1.361 18.465 2.377 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.425 18.426 3.037 1.00 0.00 O ATOM 1652 OD2 ASP A 104 0.519 19.375 2.554 1.00 0.00 O ATOM 0 H ASP A 104 2.301 14.884 0.165 1.00 0.00 H new ATOM 0 HA ASP A 104 2.488 16.002 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.712 17.680 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.069 17.461 0.964 1.00 0.00 H new ATOM 1657 N VAL A 105 0.762 14.207 3.228 1.00 0.00 N ATOM 1658 CA VAL A 105 0.012 13.551 4.300 1.00 0.00 C ATOM 1659 C VAL A 105 0.908 13.322 5.530 1.00 0.00 C ATOM 1660 O VAL A 105 2.116 13.582 5.485 1.00 0.00 O ATOM 1661 CB VAL A 105 -0.660 12.281 3.734 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.268 11.061 3.629 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.947 11.951 4.491 1.00 0.00 C ATOM 0 H VAL A 105 1.387 13.576 2.727 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.793 14.189 4.666 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.917 12.525 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.287 10.216 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.105 11.296 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.645 10.805 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.397 11.052 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.717 11.783 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.646 12.783 4.401 1.00 0.00 H new ATOM 1673 N ASP A 106 0.319 12.860 6.640 1.00 0.00 N ATOM 1674 CA ASP A 106 1.062 12.527 7.854 1.00 0.00 C ATOM 1675 C ASP A 106 1.973 11.327 7.613 1.00 0.00 C ATOM 1676 O ASP A 106 1.751 10.503 6.723 1.00 0.00 O ATOM 1677 CB ASP A 106 0.123 12.198 9.019 1.00 0.00 C ATOM 1678 CG ASP A 106 0.859 12.117 10.365 1.00 0.00 C ATOM 1679 OD1 ASP A 106 1.150 13.179 10.961 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.176 10.992 10.807 1.00 0.00 O ATOM 0 H ASP A 106 -0.687 12.708 6.718 1.00 0.00 H new ATOM 0 HA ASP A 106 1.656 13.404 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -0.655 12.959 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.374 11.248 8.823 1.00 0.00 H new ATOM 1685 N ASP A 107 2.967 11.202 8.476 1.00 0.00 N ATOM 1686 CA ASP A 107 3.974 10.154 8.412 1.00 0.00 C ATOM 1687 C ASP A 107 3.326 8.777 8.521 1.00 0.00 C ATOM 1688 O ASP A 107 3.667 7.887 7.749 1.00 0.00 O ATOM 1689 CB ASP A 107 5.004 10.344 9.527 1.00 0.00 C ATOM 1690 CG ASP A 107 6.041 9.209 9.521 1.00 0.00 C ATOM 1691 OD1 ASP A 107 6.919 9.195 8.629 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.020 8.362 10.441 1.00 0.00 O ATOM 0 H ASP A 107 3.100 11.841 9.260 1.00 0.00 H new ATOM 0 HA ASP A 107 4.480 10.220 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.508 11.302 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.498 10.374 10.492 1.00 0.00 H new ATOM 1697 N ASP A 108 2.356 8.600 9.425 1.00 0.00 N ATOM 1698 CA ASP A 108 1.761 7.287 9.658 1.00 0.00 C ATOM 1699 C ASP A 108 0.899 6.879 8.461 1.00 0.00 C ATOM 1700 O ASP A 108 0.944 5.730 8.024 1.00 0.00 O ATOM 1701 CB ASP A 108 0.941 7.292 10.961 1.00 0.00 C ATOM 1702 CG ASP A 108 1.004 5.971 11.750 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.040 5.269 11.714 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.047 5.681 12.503 1.00 0.00 O ATOM 0 H ASP A 108 1.971 9.347 10.002 1.00 0.00 H new ATOM 0 HA ASP A 108 2.558 6.551 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.298 8.101 11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.100 7.510 10.722 1.00 0.00 H new ATOM 1709 N THR A 109 0.171 7.834 7.870 1.00 0.00 N ATOM 1710 CA THR A 109 -0.627 7.588 6.672 1.00 0.00 C ATOM 1711 C THR A 109 0.296 7.165 5.528 1.00 0.00 C ATOM 1712 O THR A 109 0.047 6.149 4.876 1.00 0.00 O ATOM 1713 CB THR A 109 -1.487 8.828 6.344 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.278 9.169 7.471 1.00 0.00 O ATOM 1715 CG2 THR A 109 -2.493 8.582 5.222 1.00 0.00 C ATOM 0 H THR A 109 0.121 8.794 8.210 1.00 0.00 H new ATOM 0 HA THR A 109 -1.326 6.768 6.837 1.00 0.00 H new ATOM 0 HB THR A 109 -0.780 9.604 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.822 9.957 7.262 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.065 9.492 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.962 8.300 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.171 7.779 5.511 1.00 0.00 H new ATOM 1723 N GLN A 110 1.399 7.887 5.318 1.00 0.00 N ATOM 1724 CA GLN A 110 2.330 7.564 4.255 1.00 0.00 C ATOM 1725 C GLN A 110 3.024 6.216 4.507 1.00 0.00 C ATOM 1726 O GLN A 110 3.277 5.483 3.548 1.00 0.00 O ATOM 1727 CB GLN A 110 3.309 8.732 4.089 1.00 0.00 C ATOM 1728 CG GLN A 110 4.232 8.593 2.875 1.00 0.00 C ATOM 1729 CD GLN A 110 3.499 8.373 1.550 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.099 9.316 0.876 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.313 7.124 1.147 1.00 0.00 N ATOM 0 H GLN A 110 1.662 8.699 5.876 1.00 0.00 H new ATOM 0 HA GLN A 110 1.796 7.436 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.743 9.659 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 110 3.918 8.815 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.844 9.491 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.912 7.758 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.651 6.349 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.832 6.938 0.267 1.00 0.00 H new ATOM 1740 N GLU A 111 3.295 5.855 5.762 1.00 0.00 N ATOM 1741 CA GLU A 111 3.886 4.567 6.107 1.00 0.00 C ATOM 1742 C GLU A 111 2.918 3.420 5.835 1.00 0.00 C ATOM 1743 O GLU A 111 3.356 2.393 5.325 1.00 0.00 O ATOM 1744 CB GLU A 111 4.333 4.544 7.577 1.00 0.00 C ATOM 1745 CG GLU A 111 5.660 5.279 7.800 1.00 0.00 C ATOM 1746 CD GLU A 111 6.866 4.494 7.252 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.373 3.584 7.948 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.336 4.789 6.130 1.00 0.00 O ATOM 0 H GLU A 111 3.109 6.451 6.568 1.00 0.00 H new ATOM 0 HA GLU A 111 4.762 4.431 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.560 5.001 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.435 3.510 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.617 6.256 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.799 5.456 8.867 1.00 0.00 H new ATOM 1755 N ALA A 112 1.618 3.580 6.107 1.00 0.00 N ATOM 1756 CA ALA A 112 0.622 2.560 5.790 1.00 0.00 C ATOM 1757 C ALA A 112 0.593 2.287 4.285 1.00 0.00 C ATOM 1758 O ALA A 112 0.461 1.144 3.853 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.759 3.037 6.240 1.00 0.00 C ATOM 0 H ALA A 112 1.233 4.414 6.549 1.00 0.00 H new ATOM 0 HA ALA A 112 0.888 1.641 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.502 2.275 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.750 3.213 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.011 3.963 5.722 1.00 0.00 H new ATOM 1765 N ILE A 113 0.714 3.348 3.488 1.00 0.00 N ATOM 1766 CA ILE A 113 0.683 3.270 2.036 1.00 0.00 C ATOM 1767 C ILE A 113 1.956 2.574 1.547 1.00 0.00 C ATOM 1768 O ILE A 113 1.865 1.612 0.789 1.00 0.00 O ATOM 1769 CB ILE A 113 0.492 4.696 1.483 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.929 5.188 1.839 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.738 4.782 -0.032 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.042 6.708 1.822 1.00 0.00 C ATOM 0 H ILE A 113 0.838 4.297 3.842 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.150 2.671 1.670 1.00 0.00 H new ATOM 0 HB ILE A 113 1.237 5.342 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.644 4.766 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.201 4.818 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.590 5.809 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.759 4.472 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.040 4.126 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.060 7.000 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.349 7.133 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.798 7.080 0.827 1.00 0.00 H new ATOM 1784 N ALA A 114 3.134 3.012 2.004 1.00 0.00 N ATOM 1785 CA ALA A 114 4.403 2.393 1.638 1.00 0.00 C ATOM 1786 C ALA A 114 4.415 0.909 2.025 1.00 0.00 C ATOM 1787 O ALA A 114 4.828 0.065 1.229 1.00 0.00 O ATOM 1788 CB ALA A 114 5.556 3.144 2.313 1.00 0.00 C ATOM 0 H ALA A 114 3.230 3.806 2.638 1.00 0.00 H new ATOM 0 HA ALA A 114 4.529 2.454 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.503 2.680 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.553 4.184 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.433 3.103 3.395 1.00 0.00 H new ATOM 1794 N ASP A 115 3.915 0.591 3.221 1.00 0.00 N ATOM 1795 CA ASP A 115 3.775 -0.775 3.708 1.00 0.00 C ATOM 1796 C ASP A 115 2.879 -1.599 2.792 1.00 0.00 C ATOM 1797 O ASP A 115 3.265 -2.698 2.389 1.00 0.00 O ATOM 1798 CB ASP A 115 3.227 -0.787 5.135 1.00 0.00 C ATOM 1799 CG ASP A 115 2.872 -2.215 5.567 1.00 0.00 C ATOM 1800 OD1 ASP A 115 3.799 -3.007 5.846 1.00 0.00 O ATOM 1801 OD2 ASP A 115 1.669 -2.524 5.685 1.00 0.00 O ATOM 0 H ASP A 115 3.591 1.292 3.888 1.00 0.00 H new ATOM 0 HA ASP A 115 4.766 -1.228 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.967 -0.369 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.343 -0.153 5.196 1.00 0.00 H new ATOM 1806 N TRP A 116 1.720 -1.059 2.404 1.00 0.00 N ATOM 1807 CA TRP A 116 0.821 -1.747 1.500 1.00 0.00 C ATOM 1808 C TRP A 116 1.485 -1.961 0.140 1.00 0.00 C ATOM 1809 O TRP A 116 1.258 -2.995 -0.478 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.499 -0.980 1.355 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.533 -1.741 0.584 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -1.972 -1.452 -0.661 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.184 -2.995 0.953 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.829 -2.444 -1.097 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -2.965 -3.441 -0.154 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.161 -3.819 2.101 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.654 -4.662 -0.131 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -2.875 -5.032 2.142 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.611 -5.461 1.024 1.00 0.00 C ATOM 0 H TRP A 116 1.390 -0.143 2.709 1.00 0.00 H new ATOM 0 HA TRP A 116 0.593 -2.726 1.922 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.889 -0.748 2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.308 -0.029 0.857 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.695 -0.577 -1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.301 -2.440 -2.001 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.586 -3.513 2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.214 -4.986 -0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.857 -5.636 3.037 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.142 -6.401 1.053 1.00 0.00 H new ATOM 1830 N LEU A 117 2.317 -1.026 -0.330 1.00 0.00 N ATOM 1831 CA LEU A 117 2.905 -1.098 -1.661 1.00 0.00 C ATOM 1832 C LEU A 117 3.999 -2.162 -1.722 1.00 0.00 C ATOM 1833 O LEU A 117 4.040 -2.917 -2.695 1.00 0.00 O ATOM 1834 CB LEU A 117 3.436 0.280 -2.091 1.00 0.00 C ATOM 1835 CG LEU A 117 2.310 1.267 -2.470 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.868 2.692 -2.514 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.665 0.926 -3.821 1.00 0.00 C ATOM 0 H LEU A 117 2.598 -0.203 0.203 1.00 0.00 H new ATOM 0 HA LEU A 117 2.126 -1.392 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.027 0.705 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.105 0.156 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 117 1.536 1.187 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.072 3.386 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.267 2.957 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.664 2.748 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.880 1.649 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.422 0.961 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.235 -0.075 -3.777 1.00 0.00 H new ATOM 1849 N TYR A 118 4.860 -2.289 -0.706 1.00 0.00 N ATOM 1850 CA TYR A 118 5.835 -3.379 -0.728 1.00 0.00 C ATOM 1851 C TYR A 118 5.150 -4.725 -0.462 1.00 0.00 C ATOM 1852 O TYR A 118 5.530 -5.732 -1.057 1.00 0.00 O ATOM 1853 CB TYR A 118 7.064 -3.093 0.147 1.00 0.00 C ATOM 1854 CG TYR A 118 6.948 -3.224 1.655 1.00 0.00 C ATOM 1855 CD1 TYR A 118 6.922 -4.495 2.266 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.010 -2.069 2.455 1.00 0.00 C ATOM 1857 CE1 TYR A 118 6.939 -4.608 3.668 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.037 -2.174 3.855 1.00 0.00 C ATOM 1859 CZ TYR A 118 6.997 -3.446 4.471 1.00 0.00 C ATOM 1860 OH TYR A 118 7.043 -3.561 5.828 1.00 0.00 O ATOM 0 H TYR A 118 4.902 -1.677 0.109 1.00 0.00 H new ATOM 0 HA TYR A 118 6.250 -3.450 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 118 7.861 -3.761 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.391 -2.076 -0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.889 -5.385 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.037 -1.095 1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.908 -5.583 4.131 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.088 -1.282 4.462 1.00 0.00 H new ATOM 0 HH TYR A 118 7.081 -2.668 6.231 1.00 0.00 H new ATOM 1870 N TRP A 119 4.083 -4.758 0.341 1.00 0.00 N ATOM 1871 CA TRP A 119 3.255 -5.946 0.508 1.00 0.00 C ATOM 1872 C TRP A 119 2.558 -6.332 -0.806 1.00 0.00 C ATOM 1873 O TRP A 119 2.419 -7.519 -1.102 1.00 0.00 O ATOM 1874 CB TRP A 119 2.257 -5.678 1.632 1.00 0.00 C ATOM 1875 CG TRP A 119 1.198 -6.710 1.808 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.039 -6.630 1.277 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.275 -8.013 2.462 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -0.778 -7.723 1.673 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.001 -8.643 2.351 1.00 0.00 C ATOM 1880 CE3 TRP A 119 2.305 -8.748 3.090 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.237 -9.943 2.831 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 2.079 -10.053 3.571 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.812 -10.651 3.442 1.00 0.00 C ATOM 0 H TRP A 119 3.772 -3.958 0.893 1.00 0.00 H new ATOM 0 HA TRP A 119 3.877 -6.799 0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.807 -5.584 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.777 -4.717 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.395 -5.833 0.641 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -1.775 -7.839 1.489 1.00 0.00 H new ATOM 0 HE3 TRP A 119 3.282 -8.302 3.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.214 -10.393 2.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.884 -10.598 4.042 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.646 -11.652 3.812 1.00 0.00 H new ATOM 1894 N LEU A 120 2.183 -5.350 -1.632 1.00 0.00 N ATOM 1895 CA LEU A 120 1.633 -5.573 -2.963 1.00 0.00 C ATOM 1896 C LEU A 120 2.621 -6.438 -3.755 1.00 0.00 C ATOM 1897 O LEU A 120 2.263 -7.500 -4.267 1.00 0.00 O ATOM 1898 CB LEU A 120 1.399 -4.209 -3.667 1.00 0.00 C ATOM 1899 CG LEU A 120 0.278 -4.120 -4.711 1.00 0.00 C ATOM 1900 CD1 LEU A 120 0.412 -5.147 -5.840 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -1.088 -4.165 -4.025 1.00 0.00 C ATOM 0 H LEU A 120 2.256 -4.363 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 120 0.674 -6.088 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.197 -3.466 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.331 -3.920 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 120 0.374 -3.156 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.414 -5.027 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.357 -4.993 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.389 -6.153 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.875 -4.101 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.188 -5.100 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.176 -3.326 -3.335 1.00 0.00 H new ATOM 1913 N ALA A 121 3.889 -6.009 -3.790 1.00 0.00 N ATOM 1914 CA ALA A 121 4.955 -6.700 -4.508 1.00 0.00 C ATOM 1915 C ALA A 121 5.330 -8.047 -3.871 1.00 0.00 C ATOM 1916 O ALA A 121 5.806 -8.938 -4.576 1.00 0.00 O ATOM 1917 CB ALA A 121 6.181 -5.783 -4.586 1.00 0.00 C ATOM 0 H ALA A 121 4.202 -5.163 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 121 4.589 -6.928 -5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.983 -6.292 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.917 -4.867 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.516 -5.537 -3.578 1.00 0.00 H new ATOM 1923 N ARG A 122 5.123 -8.222 -2.559 1.00 0.00 N ATOM 1924 CA ARG A 122 5.460 -9.449 -1.823 1.00 0.00 C ATOM 1925 C ARG A 122 4.708 -10.667 -2.374 1.00 0.00 C ATOM 1926 O ARG A 122 5.193 -11.787 -2.225 1.00 0.00 O ATOM 1927 CB ARG A 122 5.159 -9.223 -0.323 1.00 0.00 C ATOM 1928 CG ARG A 122 5.554 -10.318 0.686 1.00 0.00 C ATOM 1929 CD ARG A 122 7.066 -10.514 0.854 1.00 0.00 C ATOM 1930 NE ARG A 122 7.632 -11.406 -0.166 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.700 -12.741 -0.127 1.00 0.00 C ATOM 1932 NH1 ARG A 122 7.277 -13.441 0.924 1.00 0.00 N ATOM 1933 NH2 ARG A 122 8.214 -13.367 -1.179 1.00 0.00 N ATOM 0 H ARG A 122 4.709 -7.501 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 122 6.521 -9.666 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.657 -8.301 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.087 -9.053 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.122 -10.073 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.111 -11.262 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.563 -9.545 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.269 -10.923 1.844 1.00 0.00 H new ATOM 0 HE ARG A 122 8.016 -10.957 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.886 -12.959 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.344 -14.459 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.541 -12.830 -1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.282 -14.385 -1.184 1.00 0.00 H new