USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 Set 1.1: A 33 ASN : amide:sc= -1.49 K(o=-1.5,f=-10!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 105:sc= 1.21 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 57 CYS SG : rot -90:sc= -0.667 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.311 K(o=-0.31,f=-3.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -83:sc= 0.876 USER MOD Single : A 79 THR OG1 : rot -46:sc= 0.103 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.0863 (180deg=-0.497) USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.433 USER MOD Single : A 87 MET CE :methyl 149:sc= -0.0289 (180deg=-0.317) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 40.158 5.375 26.386 1.00 24.13 N ATOM 299 CA ALA A 25 39.824 5.999 25.112 1.00 22.21 C ATOM 300 C ALA A 25 38.459 5.536 24.615 1.00 32.35 C ATOM 301 O ALA A 25 37.915 4.541 25.099 1.00 44.52 O ATOM 302 CB ALA A 25 40.896 5.692 24.077 1.00 43.20 C ATOM 0 HA ALA A 25 39.780 7.077 25.265 1.00 22.21 H new ATOM 0 HB1 ALA A 25 40.634 6.164 23.130 1.00 43.20 H new ATOM 0 HB2 ALA A 25 41.855 6.078 24.421 1.00 43.20 H new ATOM 0 HB3 ALA A 25 40.968 4.613 23.937 1.00 43.20 H new ATOM 308 N LEU A 26 37.909 6.262 23.649 1.00 73.02 N ATOM 309 CA LEU A 26 36.605 5.926 23.087 1.00 62.34 C ATOM 310 C LEU A 26 36.645 5.957 21.562 1.00 1.01 C ATOM 311 O LEU A 26 37.138 6.913 20.963 1.00 60.10 O ATOM 312 CB LEU A 26 35.540 6.897 23.600 1.00 25.43 C ATOM 313 CG LEU A 26 34.462 6.294 24.502 1.00 50.44 C ATOM 314 CD1 LEU A 26 34.997 6.089 25.910 1.00 1.23 C ATOM 315 CD2 LEU A 26 33.227 7.183 24.522 1.00 0.35 C ATOM 0 H LEU A 26 38.345 7.087 23.238 1.00 73.02 H new ATOM 0 HA LEU A 26 36.350 4.915 23.405 1.00 62.34 H new ATOM 0 HB2 LEU A 26 36.039 7.696 24.148 1.00 25.43 H new ATOM 0 HB3 LEU A 26 35.052 7.357 22.741 1.00 25.43 H new ATOM 0 HG LEU A 26 34.179 5.322 24.099 1.00 50.44 H new ATOM 0 HD11 LEU A 26 34.216 5.659 26.537 1.00 1.23 H new ATOM 0 HD12 LEU A 26 35.851 5.413 25.880 1.00 1.23 H new ATOM 0 HD13 LEU A 26 35.308 7.048 26.324 1.00 1.23 H new ATOM 0 HD21 LEU A 26 32.470 6.739 25.168 1.00 0.35 H new ATOM 0 HD22 LEU A 26 33.495 8.169 24.901 1.00 0.35 H new ATOM 0 HD23 LEU A 26 32.831 7.278 23.511 1.00 0.35 H new ATOM 327 N VAL A 27 36.121 4.906 20.940 1.00 60.22 N ATOM 328 CA VAL A 27 36.094 4.814 19.485 1.00 54.11 C ATOM 329 C VAL A 27 34.714 4.397 18.986 1.00 4.45 C ATOM 330 O VAL A 27 34.111 3.460 19.509 1.00 45.33 O ATOM 331 CB VAL A 27 37.140 3.810 18.966 1.00 31.00 C ATOM 332 CG1 VAL A 27 36.662 3.159 17.677 1.00 43.22 C ATOM 333 CG2 VAL A 27 38.481 4.497 18.761 1.00 44.31 C ATOM 0 H VAL A 27 35.709 4.106 21.421 1.00 60.22 H new ATOM 0 HA VAL A 27 36.332 5.806 19.101 1.00 54.11 H new ATOM 0 HB VAL A 27 37.269 3.027 19.713 1.00 31.00 H new ATOM 0 HG11 VAL A 27 37.414 2.453 17.325 1.00 43.22 H new ATOM 0 HG12 VAL A 27 35.726 2.631 17.861 1.00 43.22 H new ATOM 0 HG13 VAL A 27 36.502 3.926 16.919 1.00 43.22 H new ATOM 0 HG21 VAL A 27 39.208 3.773 18.394 1.00 44.31 H new ATOM 0 HG22 VAL A 27 38.370 5.301 18.033 1.00 44.31 H new ATOM 0 HG23 VAL A 27 38.827 4.910 19.709 1.00 44.31 H new ATOM 343 N ALA A 28 34.221 5.100 17.972 1.00 13.12 N ATOM 344 CA ALA A 28 32.913 4.802 17.401 1.00 63.41 C ATOM 345 C ALA A 28 33.032 3.813 16.246 1.00 74.10 C ATOM 346 O ALA A 28 33.945 3.907 15.426 1.00 54.55 O ATOM 347 CB ALA A 28 32.236 6.082 16.935 1.00 63.02 C ATOM 0 H ALA A 28 34.707 5.880 17.529 1.00 13.12 H new ATOM 0 HA ALA A 28 32.301 4.343 18.177 1.00 63.41 H new ATOM 0 HB1 ALA A 28 31.260 5.844 16.511 1.00 63.02 H new ATOM 0 HB2 ALA A 28 32.109 6.756 17.782 1.00 63.02 H new ATOM 0 HB3 ALA A 28 32.853 6.565 16.177 1.00 63.02 H new ATOM 353 N VAL A 29 32.103 2.864 16.188 1.00 31.41 N ATOM 354 CA VAL A 29 32.103 1.857 15.133 1.00 1.21 C ATOM 355 C VAL A 29 30.828 1.933 14.301 1.00 11.20 C ATOM 356 O VAL A 29 29.752 2.234 14.819 1.00 42.43 O ATOM 357 CB VAL A 29 32.241 0.437 15.713 1.00 60.25 C ATOM 358 CG1 VAL A 29 32.268 -0.595 14.596 1.00 64.35 C ATOM 359 CG2 VAL A 29 33.489 0.333 16.576 1.00 1.01 C ATOM 0 H VAL A 29 31.341 2.771 16.859 1.00 31.41 H new ATOM 0 HA VAL A 29 32.962 2.066 14.496 1.00 1.21 H new ATOM 0 HB VAL A 29 31.374 0.234 16.342 1.00 60.25 H new ATOM 0 HG11 VAL A 29 32.366 -1.592 15.024 1.00 64.35 H new ATOM 0 HG12 VAL A 29 31.343 -0.535 14.023 1.00 64.35 H new ATOM 0 HG13 VAL A 29 33.115 -0.398 13.939 1.00 64.35 H new ATOM 0 HG21 VAL A 29 33.571 -0.677 16.978 1.00 1.01 H new ATOM 0 HG22 VAL A 29 34.369 0.555 15.972 1.00 1.01 H new ATOM 0 HG23 VAL A 29 33.423 1.046 17.398 1.00 1.01 H new ATOM 369 N LYS A 30 30.955 1.657 13.007 1.00 11.54 N ATOM 370 CA LYS A 30 29.813 1.692 12.102 1.00 50.35 C ATOM 371 C LYS A 30 29.766 0.437 11.237 1.00 61.43 C ATOM 372 O LYS A 30 30.610 0.241 10.362 1.00 50.31 O ATOM 373 CB LYS A 30 29.880 2.935 11.211 1.00 13.33 C ATOM 374 CG LYS A 30 28.680 3.091 10.293 1.00 12.12 C ATOM 375 CD LYS A 30 28.623 4.480 9.680 1.00 3.33 C ATOM 376 CE LYS A 30 27.361 4.674 8.854 1.00 61.11 C ATOM 377 NZ LYS A 30 26.841 6.066 8.953 1.00 22.23 N ATOM 0 H LYS A 30 31.838 1.407 12.562 1.00 11.54 H new ATOM 0 HA LYS A 30 28.905 1.732 12.704 1.00 50.35 H new ATOM 0 HB2 LYS A 30 29.962 3.820 11.842 1.00 13.33 H new ATOM 0 HB3 LYS A 30 30.786 2.890 10.606 1.00 13.33 H new ATOM 0 HG2 LYS A 30 28.728 2.344 9.500 1.00 12.12 H new ATOM 0 HG3 LYS A 30 27.765 2.902 10.854 1.00 12.12 H new ATOM 0 HD2 LYS A 30 28.660 5.229 10.471 1.00 3.33 H new ATOM 0 HD3 LYS A 30 29.499 4.637 9.050 1.00 3.33 H new ATOM 0 HE2 LYS A 30 27.570 4.438 7.811 1.00 61.11 H new ATOM 0 HE3 LYS A 30 26.595 3.976 9.191 1.00 61.11 H new ATOM 0 HZ1 LYS A 30 25.981 6.157 8.376 1.00 22.23 H new ATOM 0 HZ2 LYS A 30 26.617 6.283 9.945 1.00 22.23 H new ATOM 0 HZ3 LYS A 30 27.562 6.731 8.607 1.00 22.23 H new ATOM 391 N VAL A 31 28.773 -0.412 11.486 1.00 4.42 N ATOM 392 CA VAL A 31 28.615 -1.647 10.729 1.00 61.25 C ATOM 393 C VAL A 31 27.621 -1.468 9.587 1.00 73.12 C ATOM 394 O VAL A 31 26.458 -1.129 9.809 1.00 44.41 O ATOM 395 CB VAL A 31 28.141 -2.802 11.631 1.00 64.12 C ATOM 396 CG1 VAL A 31 28.180 -4.121 10.874 1.00 34.13 C ATOM 397 CG2 VAL A 31 28.991 -2.876 12.891 1.00 54.12 C ATOM 0 H VAL A 31 28.066 -0.266 12.207 1.00 4.42 H new ATOM 0 HA VAL A 31 29.594 -1.894 10.319 1.00 61.25 H new ATOM 0 HB VAL A 31 27.109 -2.610 11.926 1.00 64.12 H new ATOM 0 HG11 VAL A 31 27.842 -4.925 11.527 1.00 34.13 H new ATOM 0 HG12 VAL A 31 27.526 -4.061 10.004 1.00 34.13 H new ATOM 0 HG13 VAL A 31 29.200 -4.323 10.548 1.00 34.13 H new ATOM 0 HG21 VAL A 31 28.643 -3.697 13.517 1.00 54.12 H new ATOM 0 HG22 VAL A 31 30.033 -3.044 12.618 1.00 54.12 H new ATOM 0 HG23 VAL A 31 28.907 -1.939 13.442 1.00 54.12 H new ATOM 407 N VAL A 32 28.085 -1.699 8.363 1.00 63.30 N ATOM 408 CA VAL A 32 27.236 -1.565 7.185 1.00 25.21 C ATOM 409 C VAL A 32 27.018 -2.914 6.509 1.00 50.01 C ATOM 410 O VAL A 32 27.778 -3.857 6.722 1.00 24.14 O ATOM 411 CB VAL A 32 27.843 -0.584 6.165 1.00 63.03 C ATOM 412 CG1 VAL A 32 27.928 0.815 6.755 1.00 42.44 C ATOM 413 CG2 VAL A 32 29.214 -1.065 5.713 1.00 20.45 C ATOM 0 H VAL A 32 29.045 -1.980 8.161 1.00 63.30 H new ATOM 0 HA VAL A 32 26.278 -1.174 7.528 1.00 25.21 H new ATOM 0 HB VAL A 32 27.191 -0.546 5.292 1.00 63.03 H new ATOM 0 HG11 VAL A 32 28.359 1.494 6.020 1.00 42.44 H new ATOM 0 HG12 VAL A 32 26.929 1.158 7.024 1.00 42.44 H new ATOM 0 HG13 VAL A 32 28.557 0.797 7.645 1.00 42.44 H new ATOM 0 HG21 VAL A 32 29.628 -0.360 4.992 1.00 20.45 H new ATOM 0 HG22 VAL A 32 29.878 -1.135 6.575 1.00 20.45 H new ATOM 0 HG23 VAL A 32 29.120 -2.046 5.247 1.00 20.45 H new ATOM 423 N ASN A 33 25.973 -2.998 5.691 1.00 3.44 N ATOM 424 CA ASN A 33 25.654 -4.232 4.983 1.00 41.31 C ATOM 425 C ASN A 33 25.043 -3.933 3.617 1.00 0.54 C ATOM 426 O ASN A 33 24.451 -2.874 3.409 1.00 2.24 O ATOM 427 CB ASN A 33 24.690 -5.084 5.810 1.00 74.20 C ATOM 428 CG ASN A 33 23.410 -4.344 6.150 1.00 24.25 C ATOM 429 OD1 ASN A 33 23.133 -3.277 5.603 1.00 71.11 O ATOM 430 ND2 ASN A 33 22.624 -4.909 7.059 1.00 22.44 N ATOM 0 H ASN A 33 25.333 -2.226 5.503 1.00 3.44 H new ATOM 0 HA ASN A 33 26.581 -4.786 4.833 1.00 41.31 H new ATOM 0 HB2 ASN A 33 24.446 -5.991 5.258 1.00 74.20 H new ATOM 0 HB3 ASN A 33 25.183 -5.394 6.731 1.00 74.20 H new ATOM 0 HD21 ASN A 33 21.750 -4.457 7.330 1.00 22.44 H new ATOM 0 HD22 ASN A 33 22.894 -5.795 7.487 1.00 22.44 H new ATOM 437 N ALA A 34 25.191 -4.873 2.690 1.00 34.22 N ATOM 438 CA ALA A 34 24.651 -4.712 1.346 1.00 44.13 C ATOM 439 C ALA A 34 23.129 -4.620 1.372 1.00 64.10 C ATOM 440 O ALA A 34 22.505 -4.226 0.387 1.00 13.11 O ATOM 441 CB ALA A 34 25.097 -5.863 0.457 1.00 63.25 C ATOM 0 H ALA A 34 25.681 -5.754 2.845 1.00 34.22 H new ATOM 0 HA ALA A 34 25.038 -3.779 0.936 1.00 44.13 H new ATOM 0 HB1 ALA A 34 24.686 -5.730 -0.544 1.00 63.25 H new ATOM 0 HB2 ALA A 34 26.186 -5.881 0.403 1.00 63.25 H new ATOM 0 HB3 ALA A 34 24.739 -6.804 0.874 1.00 63.25 H new ATOM 447 N ASP A 35 22.539 -4.987 2.504 1.00 51.01 N ATOM 448 CA ASP A 35 21.089 -4.946 2.658 1.00 4.44 C ATOM 449 C ASP A 35 20.576 -3.511 2.584 1.00 74.22 C ATOM 450 O ASP A 35 19.418 -3.273 2.242 1.00 1.51 O ATOM 451 CB ASP A 35 20.679 -5.579 3.988 1.00 35.15 C ATOM 452 CG ASP A 35 19.189 -5.853 4.064 1.00 43.21 C ATOM 453 OD1 ASP A 35 18.440 -4.944 4.478 1.00 73.11 O ATOM 454 OD2 ASP A 35 18.773 -6.976 3.710 1.00 64.13 O ATOM 0 H ASP A 35 23.042 -5.316 3.328 1.00 51.01 H new ATOM 0 HA ASP A 35 20.644 -5.515 1.841 1.00 4.44 H new ATOM 0 HB2 ASP A 35 21.225 -6.512 4.126 1.00 35.15 H new ATOM 0 HB3 ASP A 35 20.966 -4.918 4.806 1.00 35.15 H new ATOM 459 N GLY A 36 21.445 -2.559 2.907 1.00 3.33 N ATOM 460 CA GLY A 36 21.061 -1.160 2.872 1.00 54.22 C ATOM 461 C GLY A 36 20.869 -0.576 4.257 1.00 1.24 C ATOM 462 O GLY A 36 20.381 0.544 4.404 1.00 12.21 O ATOM 0 H GLY A 36 22.409 -2.731 3.193 1.00 3.33 H new ATOM 0 HA2 GLY A 36 21.825 -0.590 2.344 1.00 54.22 H new ATOM 0 HA3 GLY A 36 20.136 -1.055 2.305 1.00 54.22 H new ATOM 466 N ALA A 37 21.253 -1.337 5.277 1.00 42.01 N ATOM 467 CA ALA A 37 21.121 -0.888 6.657 1.00 24.24 C ATOM 468 C ALA A 37 22.486 -0.604 7.275 1.00 44.32 C ATOM 469 O ALA A 37 23.519 -0.962 6.711 1.00 64.45 O ATOM 470 CB ALA A 37 20.374 -1.926 7.481 1.00 74.32 C ATOM 0 H ALA A 37 21.658 -2.267 5.173 1.00 42.01 H new ATOM 0 HA ALA A 37 20.550 0.040 6.657 1.00 24.24 H new ATOM 0 HB1 ALA A 37 20.283 -1.577 8.510 1.00 74.32 H new ATOM 0 HB2 ALA A 37 19.380 -2.078 7.060 1.00 74.32 H new ATOM 0 HB3 ALA A 37 20.923 -2.867 7.464 1.00 74.32 H new ATOM 476 N GLU A 38 22.482 0.044 8.436 1.00 24.40 N ATOM 477 CA GLU A 38 23.722 0.377 9.128 1.00 13.12 C ATOM 478 C GLU A 38 23.458 0.682 10.600 1.00 31.51 C ATOM 479 O GLU A 38 22.439 1.278 10.948 1.00 5.13 O ATOM 480 CB GLU A 38 24.398 1.577 8.461 1.00 34.21 C ATOM 481 CG GLU A 38 23.710 2.901 8.749 1.00 75.31 C ATOM 482 CD GLU A 38 23.546 3.755 7.507 1.00 51.20 C ATOM 483 OE1 GLU A 38 22.961 3.263 6.520 1.00 34.31 O ATOM 484 OE2 GLU A 38 24.003 4.917 7.523 1.00 44.23 O ATOM 0 H GLU A 38 21.635 0.348 8.916 1.00 24.40 H new ATOM 0 HA GLU A 38 24.386 -0.486 9.066 1.00 13.12 H new ATOM 0 HB2 GLU A 38 25.433 1.634 8.798 1.00 34.21 H new ATOM 0 HB3 GLU A 38 24.422 1.417 7.383 1.00 34.21 H new ATOM 0 HG2 GLU A 38 22.730 2.709 9.186 1.00 75.31 H new ATOM 0 HG3 GLU A 38 24.287 3.452 9.491 1.00 75.31 H new ATOM 491 N MET A 39 24.383 0.266 11.459 1.00 1.42 N ATOM 492 CA MET A 39 24.251 0.495 12.893 1.00 1.04 C ATOM 493 C MET A 39 25.554 1.026 13.481 1.00 5.34 C ATOM 494 O MET A 39 26.607 0.403 13.347 1.00 64.42 O ATOM 495 CB MET A 39 23.848 -0.799 13.603 1.00 61.12 C ATOM 496 CG MET A 39 24.872 -1.914 13.462 1.00 50.33 C ATOM 497 SD MET A 39 24.257 -3.501 14.057 1.00 43.12 S ATOM 498 CE MET A 39 24.407 -3.280 15.828 1.00 42.51 C ATOM 0 H MET A 39 25.231 -0.231 11.187 1.00 1.42 H new ATOM 0 HA MET A 39 23.473 1.243 13.046 1.00 1.04 H new ATOM 0 HB2 MET A 39 23.694 -0.590 14.662 1.00 61.12 H new ATOM 0 HB3 MET A 39 22.893 -1.141 13.203 1.00 61.12 H new ATOM 0 HG2 MET A 39 25.158 -2.009 12.414 1.00 50.33 H new ATOM 0 HG3 MET A 39 25.772 -1.647 14.015 1.00 50.33 H new ATOM 0 HE1 MET A 39 24.064 -4.181 16.337 1.00 42.51 H new ATOM 0 HE2 MET A 39 25.450 -3.093 16.084 1.00 42.51 H new ATOM 0 HE3 MET A 39 23.799 -2.432 16.142 1.00 42.51 H new ATOM 508 N PHE A 40 25.477 2.182 14.133 1.00 33.22 N ATOM 509 CA PHE A 40 26.651 2.797 14.741 1.00 51.44 C ATOM 510 C PHE A 40 26.536 2.803 16.262 1.00 24.22 C ATOM 511 O PHE A 40 25.442 2.928 16.813 1.00 5.03 O ATOM 512 CB PHE A 40 26.827 4.228 14.226 1.00 31.50 C ATOM 513 CG PHE A 40 25.676 5.132 14.563 1.00 21.13 C ATOM 514 CD1 PHE A 40 25.590 5.730 15.810 1.00 1.01 C ATOM 515 CD2 PHE A 40 24.680 5.383 13.634 1.00 51.34 C ATOM 516 CE1 PHE A 40 24.533 6.563 16.124 1.00 54.14 C ATOM 517 CE2 PHE A 40 23.620 6.216 13.941 1.00 24.33 C ATOM 518 CZ PHE A 40 23.546 6.805 15.188 1.00 11.31 C ATOM 0 H PHE A 40 24.614 2.711 14.254 1.00 33.22 H new ATOM 0 HA PHE A 40 27.524 2.207 14.463 1.00 51.44 H new ATOM 0 HB2 PHE A 40 27.742 4.646 14.645 1.00 31.50 H new ATOM 0 HB3 PHE A 40 26.954 4.203 13.144 1.00 31.50 H new ATOM 0 HD1 PHE A 40 26.358 5.543 16.545 1.00 1.01 H new ATOM 0 HD2 PHE A 40 24.732 4.923 12.658 1.00 51.34 H new ATOM 0 HE1 PHE A 40 24.479 7.024 17.099 1.00 54.14 H new ATOM 0 HE2 PHE A 40 22.851 6.406 13.207 1.00 24.33 H new ATOM 0 HZ PHE A 40 22.718 7.454 15.431 1.00 11.31 H new ATOM 528 N PHE A 41 27.674 2.665 16.936 1.00 53.54 N ATOM 529 CA PHE A 41 27.702 2.653 18.394 1.00 62.24 C ATOM 530 C PHE A 41 29.095 2.997 18.913 1.00 11.33 C ATOM 531 O PHE A 41 30.102 2.554 18.361 1.00 2.25 O ATOM 532 CB PHE A 41 27.273 1.282 18.921 1.00 2.23 C ATOM 533 CG PHE A 41 26.526 1.348 20.223 1.00 63.13 C ATOM 534 CD1 PHE A 41 25.270 1.929 20.287 1.00 21.12 C ATOM 535 CD2 PHE A 41 27.081 0.829 21.382 1.00 73.02 C ATOM 536 CE1 PHE A 41 24.580 1.991 21.483 1.00 31.42 C ATOM 537 CE2 PHE A 41 26.395 0.887 22.580 1.00 1.53 C ATOM 538 CZ PHE A 41 25.144 1.470 22.631 1.00 13.14 C ATOM 0 H PHE A 41 28.588 2.560 16.496 1.00 53.54 H new ATOM 0 HA PHE A 41 27.003 3.408 18.753 1.00 62.24 H new ATOM 0 HB2 PHE A 41 26.645 0.795 18.175 1.00 2.23 H new ATOM 0 HB3 PHE A 41 28.157 0.658 19.050 1.00 2.23 H new ATOM 0 HD1 PHE A 41 24.825 2.338 19.392 1.00 21.12 H new ATOM 0 HD2 PHE A 41 28.060 0.374 21.348 1.00 73.02 H new ATOM 0 HE1 PHE A 41 23.601 2.446 21.520 1.00 31.42 H new ATOM 0 HE2 PHE A 41 26.837 0.477 23.476 1.00 1.53 H new ATOM 0 HZ PHE A 41 24.608 1.518 23.567 1.00 13.14 H new ATOM 548 N ARG A 42 29.143 3.791 19.978 1.00 12.12 N ATOM 549 CA ARG A 42 30.411 4.197 20.572 1.00 51.11 C ATOM 550 C ARG A 42 30.836 3.222 21.666 1.00 62.34 C ATOM 551 O ARG A 42 30.030 2.832 22.511 1.00 2.31 O ATOM 552 CB ARG A 42 30.299 5.610 21.149 1.00 64.43 C ATOM 553 CG ARG A 42 30.272 6.700 20.090 1.00 63.44 C ATOM 554 CD ARG A 42 29.353 7.843 20.490 1.00 31.31 C ATOM 555 NE ARG A 42 28.023 7.708 19.901 1.00 45.13 N ATOM 556 CZ ARG A 42 26.956 8.366 20.338 1.00 34.01 C ATOM 557 NH1 ARG A 42 27.061 9.200 21.363 1.00 13.23 N ATOM 558 NH2 ARG A 42 25.779 8.190 19.749 1.00 5.34 N ATOM 0 H ARG A 42 28.318 4.166 20.447 1.00 12.12 H new ATOM 0 HA ARG A 42 31.169 4.190 19.789 1.00 51.11 H new ATOM 0 HB2 ARG A 42 29.392 5.677 21.750 1.00 64.43 H new ATOM 0 HB3 ARG A 42 31.140 5.787 21.819 1.00 64.43 H new ATOM 0 HG2 ARG A 42 31.281 7.081 19.933 1.00 63.44 H new ATOM 0 HG3 ARG A 42 29.939 6.279 19.141 1.00 63.44 H new ATOM 0 HD2 ARG A 42 29.267 7.876 21.576 1.00 31.31 H new ATOM 0 HD3 ARG A 42 29.794 8.789 20.177 1.00 31.31 H new ATOM 0 HE ARG A 42 27.908 7.073 19.111 1.00 45.13 H new ATOM 0 HH11 ARG A 42 27.963 9.338 21.818 1.00 13.23 H new ATOM 0 HH12 ARG A 42 26.239 9.704 21.696 1.00 13.23 H new ATOM 0 HH21 ARG A 42 25.694 7.549 18.960 1.00 5.34 H new ATOM 0 HH22 ARG A 42 24.960 8.696 20.085 1.00 5.34 H new ATOM 572 N ILE A 43 32.106 2.831 21.642 1.00 50.23 N ATOM 573 CA ILE A 43 32.638 1.902 22.631 1.00 13.21 C ATOM 574 C ILE A 43 34.159 1.980 22.696 1.00 22.22 C ATOM 575 O ILE A 43 34.817 2.332 21.717 1.00 53.43 O ATOM 576 CB ILE A 43 32.222 0.452 22.322 1.00 35.13 C ATOM 577 CG1 ILE A 43 32.538 -0.457 23.512 1.00 41.21 C ATOM 578 CG2 ILE A 43 32.924 -0.045 21.068 1.00 50.04 C ATOM 579 CD1 ILE A 43 31.855 -0.034 24.794 1.00 60.23 C ATOM 0 H ILE A 43 32.785 3.143 20.948 1.00 50.23 H new ATOM 0 HA ILE A 43 32.220 2.194 23.595 1.00 13.21 H new ATOM 0 HB ILE A 43 31.147 0.428 22.146 1.00 35.13 H new ATOM 0 HG12 ILE A 43 32.238 -1.477 23.270 1.00 41.21 H new ATOM 0 HG13 ILE A 43 33.616 -0.471 23.672 1.00 41.21 H new ATOM 0 HG21 ILE A 43 32.619 -1.071 20.863 1.00 50.04 H new ATOM 0 HG22 ILE A 43 32.653 0.589 20.224 1.00 50.04 H new ATOM 0 HG23 ILE A 43 34.003 -0.010 21.217 1.00 50.04 H new ATOM 0 HD11 ILE A 43 32.124 -0.723 25.594 1.00 60.23 H new ATOM 0 HD12 ILE A 43 32.173 0.974 25.061 1.00 60.23 H new ATOM 0 HD13 ILE A 43 30.774 -0.047 24.652 1.00 60.23 H new ATOM 591 N LYS A 44 34.714 1.646 23.856 1.00 0.25 N ATOM 592 CA LYS A 44 36.159 1.674 24.050 1.00 11.44 C ATOM 593 C LYS A 44 36.872 0.914 22.937 1.00 22.32 C ATOM 594 O LYS A 44 36.477 -0.196 22.579 1.00 5.11 O ATOM 595 CB LYS A 44 36.524 1.072 25.409 1.00 34.11 C ATOM 596 CG LYS A 44 36.635 2.101 26.521 1.00 45.15 C ATOM 597 CD LYS A 44 38.062 2.218 27.031 1.00 71.11 C ATOM 598 CE LYS A 44 38.267 1.408 28.302 1.00 64.44 C ATOM 599 NZ LYS A 44 38.172 -0.057 28.047 1.00 14.53 N ATOM 0 H LYS A 44 34.184 1.352 24.677 1.00 0.25 H new ATOM 0 HA LYS A 44 36.484 2.714 24.022 1.00 11.44 H new ATOM 0 HB2 LYS A 44 35.771 0.333 25.683 1.00 34.11 H new ATOM 0 HB3 LYS A 44 37.473 0.543 25.319 1.00 34.11 H new ATOM 0 HG2 LYS A 44 36.297 3.071 26.156 1.00 45.15 H new ATOM 0 HG3 LYS A 44 35.975 1.823 27.343 1.00 45.15 H new ATOM 0 HD2 LYS A 44 38.754 1.873 26.263 1.00 71.11 H new ATOM 0 HD3 LYS A 44 38.296 3.265 27.224 1.00 71.11 H new ATOM 0 HE2 LYS A 44 39.243 1.640 28.727 1.00 64.44 H new ATOM 0 HE3 LYS A 44 37.520 1.697 29.042 1.00 64.44 H new ATOM 0 HZ1 LYS A 44 38.317 -0.574 28.937 1.00 14.53 H new ATOM 0 HZ2 LYS A 44 37.231 -0.283 27.665 1.00 14.53 H new ATOM 0 HZ3 LYS A 44 38.901 -0.338 27.360 1.00 14.53 H new ATOM 613 N SER A 45 37.925 1.517 22.395 1.00 41.11 N ATOM 614 CA SER A 45 38.692 0.897 21.321 1.00 41.23 C ATOM 615 C SER A 45 39.133 -0.510 21.711 1.00 64.23 C ATOM 616 O SER A 45 39.271 -1.388 20.858 1.00 33.05 O ATOM 617 CB SER A 45 39.915 1.751 20.980 1.00 53.31 C ATOM 618 OG SER A 45 40.932 1.597 21.954 1.00 62.00 O ATOM 0 H SER A 45 38.267 2.434 22.682 1.00 41.11 H new ATOM 0 HA SER A 45 38.050 0.828 20.443 1.00 41.23 H new ATOM 0 HB2 SER A 45 40.299 1.467 20.000 1.00 53.31 H new ATOM 0 HB3 SER A 45 39.624 2.799 20.916 1.00 53.31 H new ATOM 0 HG SER A 45 41.648 1.033 21.593 1.00 62.00 H new ATOM 624 N ARG A 46 39.354 -0.717 23.005 1.00 42.02 N ATOM 625 CA ARG A 46 39.781 -2.017 23.509 1.00 43.40 C ATOM 626 C ARG A 46 38.862 -3.125 23.003 1.00 44.30 C ATOM 627 O ARG A 46 39.285 -4.269 22.834 1.00 3.02 O ATOM 628 CB ARG A 46 39.799 -2.013 25.039 1.00 65.24 C ATOM 629 CG ARG A 46 41.157 -2.352 25.632 1.00 0.23 C ATOM 630 CD ARG A 46 41.676 -3.683 25.112 1.00 30.34 C ATOM 631 NE ARG A 46 42.846 -4.143 25.856 1.00 34.14 N ATOM 632 CZ ARG A 46 42.775 -4.748 27.037 1.00 75.12 C ATOM 633 NH1 ARG A 46 41.596 -4.965 27.604 1.00 21.52 N ATOM 634 NH2 ARG A 46 43.884 -5.138 27.652 1.00 51.50 N ATOM 0 H ARG A 46 39.244 -0.001 23.723 1.00 42.02 H new ATOM 0 HA ARG A 46 40.789 -2.209 23.141 1.00 43.40 H new ATOM 0 HB2 ARG A 46 39.491 -1.030 25.395 1.00 65.24 H new ATOM 0 HB3 ARG A 46 39.063 -2.729 25.405 1.00 65.24 H new ATOM 0 HG2 ARG A 46 41.869 -1.563 25.389 1.00 0.23 H new ATOM 0 HG3 ARG A 46 41.081 -2.389 26.719 1.00 0.23 H new ATOM 0 HD2 ARG A 46 40.886 -4.431 25.180 1.00 30.34 H new ATOM 0 HD3 ARG A 46 41.933 -3.585 24.057 1.00 30.34 H new ATOM 0 HE ARG A 46 43.768 -3.992 25.447 1.00 34.14 H new ATOM 0 HH11 ARG A 46 40.741 -4.667 27.134 1.00 21.52 H new ATOM 0 HH12 ARG A 46 41.544 -5.430 28.511 1.00 21.52 H new ATOM 0 HH21 ARG A 46 44.792 -4.974 27.218 1.00 51.50 H new ATOM 0 HH22 ARG A 46 43.828 -5.602 28.558 1.00 51.50 H new ATOM 648 N THR A 47 37.602 -2.778 22.763 1.00 53.32 N ATOM 649 CA THR A 47 36.622 -3.742 22.278 1.00 25.21 C ATOM 650 C THR A 47 35.496 -3.049 21.520 1.00 3.31 C ATOM 651 O THR A 47 34.845 -2.147 22.046 1.00 34.11 O ATOM 652 CB THR A 47 36.019 -4.560 23.435 1.00 23.25 C ATOM 653 OG1 THR A 47 37.038 -4.890 24.386 1.00 45.13 O ATOM 654 CG2 THR A 47 35.371 -5.835 22.917 1.00 50.12 C ATOM 0 H THR A 47 37.236 -1.836 22.897 1.00 53.32 H new ATOM 0 HA THR A 47 37.150 -4.415 21.602 1.00 25.21 H new ATOM 0 HB THR A 47 35.254 -3.953 23.919 1.00 23.25 H new ATOM 0 HG1 THR A 47 36.646 -5.409 25.119 1.00 45.13 H new ATOM 0 HG21 THR A 47 34.952 -6.396 23.753 1.00 50.12 H new ATOM 0 HG22 THR A 47 34.576 -5.580 22.216 1.00 50.12 H new ATOM 0 HG23 THR A 47 36.120 -6.444 22.410 1.00 50.12 H new ATOM 662 N ALA A 48 35.272 -3.476 20.282 1.00 42.33 N ATOM 663 CA ALA A 48 34.222 -2.897 19.452 1.00 24.23 C ATOM 664 C ALA A 48 33.741 -3.893 18.402 1.00 3.41 C ATOM 665 O ALA A 48 32.559 -4.236 18.353 1.00 64.13 O ATOM 666 CB ALA A 48 34.718 -1.622 18.786 1.00 25.50 C ATOM 0 H ALA A 48 35.803 -4.221 19.831 1.00 42.33 H new ATOM 0 HA ALA A 48 33.377 -2.652 20.096 1.00 24.23 H new ATOM 0 HB1 ALA A 48 33.924 -1.201 18.170 1.00 25.50 H new ATOM 0 HB2 ALA A 48 35.005 -0.900 19.551 1.00 25.50 H new ATOM 0 HB3 ALA A 48 35.581 -1.850 18.160 1.00 25.50 H new ATOM 672 N LEU A 49 34.663 -4.352 17.563 1.00 22.44 N ATOM 673 CA LEU A 49 34.333 -5.309 16.513 1.00 52.24 C ATOM 674 C LEU A 49 33.893 -6.642 17.109 1.00 60.25 C ATOM 675 O LEU A 49 33.101 -7.371 16.511 1.00 52.12 O ATOM 676 CB LEU A 49 35.536 -5.521 15.592 1.00 51.41 C ATOM 677 CG LEU A 49 35.285 -5.304 14.099 1.00 1.32 C ATOM 678 CD1 LEU A 49 34.006 -6.003 13.666 1.00 61.04 C ATOM 679 CD2 LEU A 49 35.217 -3.817 13.780 1.00 31.43 C ATOM 0 H LEU A 49 35.645 -4.077 17.589 1.00 22.44 H new ATOM 0 HA LEU A 49 33.506 -4.902 15.932 1.00 52.24 H new ATOM 0 HB2 LEU A 49 36.333 -4.848 15.908 1.00 51.41 H new ATOM 0 HB3 LEU A 49 35.903 -6.538 15.734 1.00 51.41 H new ATOM 0 HG LEU A 49 36.117 -5.737 13.543 1.00 1.32 H new ATOM 0 HD11 LEU A 49 33.844 -5.838 12.601 1.00 61.04 H new ATOM 0 HD12 LEU A 49 34.093 -7.072 13.858 1.00 61.04 H new ATOM 0 HD13 LEU A 49 33.163 -5.601 14.228 1.00 61.04 H new ATOM 0 HD21 LEU A 49 35.038 -3.682 12.713 1.00 31.43 H new ATOM 0 HD22 LEU A 49 34.405 -3.360 14.345 1.00 31.43 H new ATOM 0 HD23 LEU A 49 36.160 -3.343 14.053 1.00 31.43 H new ATOM 691 N LYS A 50 34.411 -6.955 18.292 1.00 73.04 N ATOM 692 CA LYS A 50 34.070 -8.199 18.972 1.00 53.13 C ATOM 693 C LYS A 50 32.614 -8.189 19.427 1.00 52.15 C ATOM 694 O LYS A 50 31.868 -9.136 19.176 1.00 55.52 O ATOM 695 CB LYS A 50 34.990 -8.415 20.176 1.00 54.35 C ATOM 696 CG LYS A 50 36.450 -8.599 19.800 1.00 73.21 C ATOM 697 CD LYS A 50 36.682 -9.928 19.100 1.00 52.21 C ATOM 698 CE LYS A 50 37.027 -11.028 20.092 1.00 2.30 C ATOM 699 NZ LYS A 50 38.449 -10.954 20.528 1.00 21.45 N ATOM 0 H LYS A 50 35.069 -6.364 18.800 1.00 73.04 H new ATOM 0 HA LYS A 50 34.206 -9.019 18.266 1.00 53.13 H new ATOM 0 HB2 LYS A 50 34.901 -7.562 20.848 1.00 54.35 H new ATOM 0 HB3 LYS A 50 34.652 -9.292 20.728 1.00 54.35 H new ATOM 0 HG2 LYS A 50 36.764 -7.784 19.148 1.00 73.21 H new ATOM 0 HG3 LYS A 50 37.067 -8.546 20.697 1.00 73.21 H new ATOM 0 HD2 LYS A 50 35.788 -10.207 18.542 1.00 52.21 H new ATOM 0 HD3 LYS A 50 37.490 -9.823 18.376 1.00 52.21 H new ATOM 0 HE2 LYS A 50 36.376 -10.950 20.962 1.00 2.30 H new ATOM 0 HE3 LYS A 50 36.836 -12.000 19.637 1.00 2.30 H new ATOM 0 HZ1 LYS A 50 38.645 -11.720 21.204 1.00 21.45 H new ATOM 0 HZ2 LYS A 50 39.071 -11.054 19.701 1.00 21.45 H new ATOM 0 HZ3 LYS A 50 38.625 -10.036 20.985 1.00 21.45 H new ATOM 713 N LYS A 51 32.215 -7.112 20.095 1.00 30.23 N ATOM 714 CA LYS A 51 30.848 -6.977 20.583 1.00 54.20 C ATOM 715 C LYS A 51 29.881 -6.729 19.430 1.00 53.33 C ATOM 716 O LYS A 51 28.705 -7.091 19.503 1.00 45.55 O ATOM 717 CB LYS A 51 30.756 -5.832 21.594 1.00 20.05 C ATOM 718 CG LYS A 51 30.253 -6.266 22.960 1.00 23.15 C ATOM 719 CD LYS A 51 31.224 -7.222 23.634 1.00 12.30 C ATOM 720 CE LYS A 51 31.419 -6.875 25.102 1.00 34.32 C ATOM 721 NZ LYS A 51 31.697 -8.085 25.925 1.00 11.33 N ATOM 0 H LYS A 51 32.820 -6.319 20.311 1.00 30.23 H new ATOM 0 HA LYS A 51 30.570 -7.910 21.073 1.00 54.20 H new ATOM 0 HB2 LYS A 51 31.740 -5.377 21.706 1.00 20.05 H new ATOM 0 HB3 LYS A 51 30.093 -5.062 21.199 1.00 20.05 H new ATOM 0 HG2 LYS A 51 30.108 -5.389 23.591 1.00 23.15 H new ATOM 0 HG3 LYS A 51 29.281 -6.748 22.855 1.00 23.15 H new ATOM 0 HD2 LYS A 51 30.851 -8.243 23.547 1.00 12.30 H new ATOM 0 HD3 LYS A 51 32.185 -7.189 23.120 1.00 12.30 H new ATOM 0 HE2 LYS A 51 32.244 -6.170 25.202 1.00 34.32 H new ATOM 0 HE3 LYS A 51 30.526 -6.376 25.479 1.00 34.32 H new ATOM 0 HZ1 LYS A 51 31.824 -7.807 26.919 1.00 11.33 H new ATOM 0 HZ2 LYS A 51 30.898 -8.747 25.850 1.00 11.33 H new ATOM 0 HZ3 LYS A 51 32.563 -8.547 25.581 1.00 11.33 H new ATOM 735 N LEU A 52 30.382 -6.111 18.366 1.00 62.22 N ATOM 736 CA LEU A 52 29.563 -5.816 17.195 1.00 32.24 C ATOM 737 C LEU A 52 29.206 -7.095 16.444 1.00 1.20 C ATOM 738 O LEU A 52 28.035 -7.360 16.172 1.00 31.31 O ATOM 739 CB LEU A 52 30.298 -4.852 16.263 1.00 3.34 C ATOM 740 CG LEU A 52 29.845 -3.392 16.315 1.00 62.24 C ATOM 741 CD1 LEU A 52 28.358 -3.284 16.014 1.00 3.03 C ATOM 742 CD2 LEU A 52 30.163 -2.782 17.672 1.00 32.52 C ATOM 0 H LEU A 52 31.352 -5.804 18.290 1.00 62.22 H new ATOM 0 HA LEU A 52 28.640 -5.348 17.537 1.00 32.24 H new ATOM 0 HB2 LEU A 52 31.362 -4.890 16.499 1.00 3.34 H new ATOM 0 HB3 LEU A 52 30.185 -5.210 15.240 1.00 3.34 H new ATOM 0 HG LEU A 52 30.390 -2.835 15.553 1.00 62.24 H new ATOM 0 HD11 LEU A 52 28.053 -2.238 16.055 1.00 3.03 H new ATOM 0 HD12 LEU A 52 28.158 -3.681 15.019 1.00 3.03 H new ATOM 0 HD13 LEU A 52 27.795 -3.855 16.752 1.00 3.03 H new ATOM 0 HD21 LEU A 52 29.834 -1.743 17.690 1.00 32.52 H new ATOM 0 HD22 LEU A 52 29.646 -3.340 18.452 1.00 32.52 H new ATOM 0 HD23 LEU A 52 31.238 -2.825 17.847 1.00 32.52 H new ATOM 754 N ILE A 53 30.223 -7.884 16.114 1.00 51.25 N ATOM 755 CA ILE A 53 30.016 -9.136 15.397 1.00 72.01 C ATOM 756 C ILE A 53 29.324 -10.168 16.281 1.00 13.43 C ATOM 757 O ILE A 53 28.559 -11.003 15.797 1.00 4.52 O ATOM 758 CB ILE A 53 31.347 -9.721 14.890 1.00 22.42 C ATOM 759 CG1 ILE A 53 31.090 -10.963 14.034 1.00 63.20 C ATOM 760 CG2 ILE A 53 32.258 -10.058 16.062 1.00 73.14 C ATOM 761 CD1 ILE A 53 32.294 -11.402 13.229 1.00 54.51 C ATOM 0 H ILE A 53 31.198 -7.678 16.332 1.00 51.25 H new ATOM 0 HA ILE A 53 29.379 -8.908 14.542 1.00 72.01 H new ATOM 0 HB ILE A 53 31.844 -8.973 14.272 1.00 22.42 H new ATOM 0 HG12 ILE A 53 30.778 -11.782 14.681 1.00 63.20 H new ATOM 0 HG13 ILE A 53 30.262 -10.761 13.354 1.00 63.20 H new ATOM 0 HG21 ILE A 53 33.195 -10.471 15.688 1.00 73.14 H new ATOM 0 HG22 ILE A 53 32.463 -9.154 16.635 1.00 73.14 H new ATOM 0 HG23 ILE A 53 31.769 -10.791 16.704 1.00 73.14 H new ATOM 0 HD11 ILE A 53 32.039 -12.287 12.647 1.00 54.51 H new ATOM 0 HD12 ILE A 53 32.594 -10.599 12.556 1.00 54.51 H new ATOM 0 HD13 ILE A 53 33.117 -11.636 13.904 1.00 54.51 H new ATOM 773 N ASP A 54 29.595 -10.103 17.580 1.00 44.30 N ATOM 774 CA ASP A 54 28.997 -11.029 18.534 1.00 75.33 C ATOM 775 C ASP A 54 27.522 -10.706 18.752 1.00 33.42 C ATOM 776 O ASP A 54 26.677 -11.602 18.784 1.00 14.31 O ATOM 777 CB ASP A 54 29.746 -10.978 19.866 1.00 14.02 C ATOM 778 CG ASP A 54 31.063 -11.727 19.819 1.00 34.43 C ATOM 779 OD1 ASP A 54 31.667 -11.799 18.728 1.00 15.33 O ATOM 780 OD2 ASP A 54 31.490 -12.242 20.874 1.00 52.13 O ATOM 0 H ASP A 54 30.226 -9.418 17.996 1.00 44.30 H new ATOM 0 HA ASP A 54 29.073 -12.036 18.123 1.00 75.33 H new ATOM 0 HB2 ASP A 54 29.932 -9.938 20.135 1.00 14.02 H new ATOM 0 HB3 ASP A 54 29.118 -11.402 20.649 1.00 14.02 H new ATOM 785 N THR A 55 27.219 -9.421 18.904 1.00 55.14 N ATOM 786 CA THR A 55 25.847 -8.980 19.122 1.00 53.45 C ATOM 787 C THR A 55 25.000 -9.178 17.870 1.00 71.13 C ATOM 788 O THR A 55 23.841 -9.586 17.951 1.00 60.14 O ATOM 789 CB THR A 55 25.792 -7.497 19.534 1.00 5.44 C ATOM 790 OG1 THR A 55 26.467 -7.311 20.784 1.00 42.03 O ATOM 791 CG2 THR A 55 24.353 -7.021 19.654 1.00 14.43 C ATOM 0 H THR A 55 27.906 -8.667 18.880 1.00 55.14 H new ATOM 0 HA THR A 55 25.445 -9.590 19.931 1.00 53.45 H new ATOM 0 HB THR A 55 26.289 -6.910 18.762 1.00 5.44 H new ATOM 0 HG1 THR A 55 27.428 -7.460 20.662 1.00 42.03 H new ATOM 0 HG21 THR A 55 24.340 -5.971 19.946 1.00 14.43 H new ATOM 0 HG22 THR A 55 23.850 -7.137 18.694 1.00 14.43 H new ATOM 0 HG23 THR A 55 23.835 -7.614 20.408 1.00 14.43 H new ATOM 799 N TYR A 56 25.585 -8.888 16.713 1.00 2.12 N ATOM 800 CA TYR A 56 24.883 -9.033 15.444 1.00 61.15 C ATOM 801 C TYR A 56 24.632 -10.504 15.125 1.00 42.22 C ATOM 802 O TYR A 56 23.497 -10.912 14.875 1.00 2.41 O ATOM 803 CB TYR A 56 25.687 -8.385 14.315 1.00 21.11 C ATOM 804 CG TYR A 56 24.827 -7.789 13.224 1.00 60.34 C ATOM 805 CD1 TYR A 56 23.754 -8.496 12.694 1.00 64.11 C ATOM 806 CD2 TYR A 56 25.087 -6.520 12.721 1.00 24.34 C ATOM 807 CE1 TYR A 56 22.966 -7.956 11.696 1.00 21.10 C ATOM 808 CE2 TYR A 56 24.304 -5.972 11.725 1.00 54.12 C ATOM 809 CZ TYR A 56 23.244 -6.694 11.215 1.00 4.32 C ATOM 810 OH TYR A 56 22.462 -6.151 10.221 1.00 21.54 O ATOM 0 H TYR A 56 26.544 -8.551 16.628 1.00 2.12 H new ATOM 0 HA TYR A 56 23.920 -8.529 15.531 1.00 61.15 H new ATOM 0 HB2 TYR A 56 26.321 -7.604 14.734 1.00 21.11 H new ATOM 0 HB3 TYR A 56 26.349 -9.132 13.877 1.00 21.11 H new ATOM 0 HD1 TYR A 56 23.533 -9.484 13.069 1.00 64.11 H new ATOM 0 HD2 TYR A 56 25.916 -5.952 13.116 1.00 24.34 H new ATOM 0 HE1 TYR A 56 22.137 -8.519 11.295 1.00 21.10 H new ATOM 0 HE2 TYR A 56 24.520 -4.984 11.347 1.00 54.12 H new ATOM 0 HH TYR A 56 22.792 -5.256 9.997 1.00 21.54 H new ATOM 820 N CYS A 57 25.699 -11.295 15.136 1.00 42.10 N ATOM 821 CA CYS A 57 25.597 -12.721 14.848 1.00 33.21 C ATOM 822 C CYS A 57 24.644 -13.405 15.823 1.00 73.42 C ATOM 823 O CYS A 57 23.840 -14.252 15.432 1.00 60.05 O ATOM 824 CB CYS A 57 26.976 -13.377 14.919 1.00 22.42 C ATOM 825 SG CYS A 57 28.039 -13.016 13.502 1.00 63.41 S ATOM 0 H CYS A 57 26.645 -10.973 15.341 1.00 42.10 H new ATOM 0 HA CYS A 57 25.200 -12.836 13.839 1.00 33.21 H new ATOM 0 HB2 CYS A 57 27.477 -13.047 15.829 1.00 22.42 H new ATOM 0 HB3 CYS A 57 26.849 -14.457 14.999 1.00 22.42 H new ATOM 0 HG CYS A 57 27.857 -13.916 12.582 1.00 63.41 H new ATOM 831 N LYS A 58 24.740 -13.034 17.095 1.00 71.11 N ATOM 832 CA LYS A 58 23.887 -13.611 18.127 1.00 24.44 C ATOM 833 C LYS A 58 22.455 -13.103 17.997 1.00 21.14 C ATOM 834 O LYS A 58 21.503 -13.801 18.348 1.00 3.24 O ATOM 835 CB LYS A 58 24.435 -13.275 19.516 1.00 32.45 C ATOM 836 CG LYS A 58 23.718 -13.998 20.644 1.00 51.21 C ATOM 837 CD LYS A 58 24.542 -13.996 21.920 1.00 22.34 C ATOM 838 CE LYS A 58 24.479 -15.342 22.626 1.00 13.15 C ATOM 839 NZ LYS A 58 25.249 -15.337 23.901 1.00 43.52 N ATOM 0 H LYS A 58 25.401 -12.336 17.436 1.00 71.11 H new ATOM 0 HA LYS A 58 23.882 -14.693 17.996 1.00 24.44 H new ATOM 0 HB2 LYS A 58 25.495 -13.527 19.550 1.00 32.45 H new ATOM 0 HB3 LYS A 58 24.358 -12.200 19.678 1.00 32.45 H new ATOM 0 HG2 LYS A 58 22.756 -13.520 20.830 1.00 51.21 H new ATOM 0 HG3 LYS A 58 23.511 -15.026 20.345 1.00 51.21 H new ATOM 0 HD2 LYS A 58 25.579 -13.756 21.685 1.00 22.34 H new ATOM 0 HD3 LYS A 58 24.178 -13.216 22.588 1.00 22.34 H new ATOM 0 HE2 LYS A 58 23.439 -15.596 22.831 1.00 13.15 H new ATOM 0 HE3 LYS A 58 24.872 -16.116 21.967 1.00 13.15 H new ATOM 0 HZ1 LYS A 58 25.181 -16.272 24.351 1.00 43.52 H new ATOM 0 HZ2 LYS A 58 26.247 -15.120 23.703 1.00 43.52 H new ATOM 0 HZ3 LYS A 58 24.858 -14.616 24.540 1.00 43.52 H new ATOM 853 N LYS A 59 22.309 -11.884 17.489 1.00 34.14 N ATOM 854 CA LYS A 59 20.993 -11.283 17.310 1.00 55.32 C ATOM 855 C LYS A 59 20.208 -12.006 16.220 1.00 32.21 C ATOM 856 O LYS A 59 19.037 -12.337 16.403 1.00 54.12 O ATOM 857 CB LYS A 59 21.131 -9.800 16.955 1.00 74.40 C ATOM 858 CG LYS A 59 21.043 -8.876 18.157 1.00 33.43 C ATOM 859 CD LYS A 59 19.668 -8.239 18.272 1.00 71.44 C ATOM 860 CE LYS A 59 19.702 -6.992 19.141 1.00 22.15 C ATOM 861 NZ LYS A 59 18.387 -6.294 19.162 1.00 10.01 N ATOM 0 H LYS A 59 23.086 -11.293 17.194 1.00 34.14 H new ATOM 0 HA LYS A 59 20.448 -11.377 18.249 1.00 55.32 H new ATOM 0 HB2 LYS A 59 22.087 -9.642 16.455 1.00 74.40 H new ATOM 0 HB3 LYS A 59 20.351 -9.531 16.243 1.00 74.40 H new ATOM 0 HG2 LYS A 59 21.262 -9.437 19.065 1.00 33.43 H new ATOM 0 HG3 LYS A 59 21.800 -8.096 18.074 1.00 33.43 H new ATOM 0 HD2 LYS A 59 19.301 -7.981 17.278 1.00 71.44 H new ATOM 0 HD3 LYS A 59 18.967 -8.959 18.694 1.00 71.44 H new ATOM 0 HE2 LYS A 59 19.984 -7.266 20.158 1.00 22.15 H new ATOM 0 HE3 LYS A 59 20.468 -6.312 18.770 1.00 22.15 H new ATOM 0 HZ1 LYS A 59 18.452 -5.449 19.765 1.00 10.01 H new ATOM 0 HZ2 LYS A 59 18.129 -6.010 18.195 1.00 10.01 H new ATOM 0 HZ3 LYS A 59 17.660 -6.934 19.540 1.00 10.01 H new ATOM 875 N GLN A 60 20.862 -12.249 15.089 1.00 75.42 N ATOM 876 CA GLN A 60 20.224 -12.935 13.971 1.00 51.32 C ATOM 877 C GLN A 60 19.976 -14.403 14.302 1.00 44.21 C ATOM 878 O GLN A 60 19.154 -15.062 13.668 1.00 72.31 O ATOM 879 CB GLN A 60 21.090 -12.822 12.715 1.00 10.20 C ATOM 880 CG GLN A 60 20.440 -13.410 11.473 1.00 41.11 C ATOM 881 CD GLN A 60 21.113 -12.957 10.192 1.00 23.32 C ATOM 882 OE1 GLN A 60 22.104 -12.226 10.223 1.00 74.13 O ATOM 883 NE2 GLN A 60 20.578 -13.391 9.057 1.00 44.22 N ATOM 0 H GLN A 60 21.832 -11.982 14.922 1.00 75.42 H new ATOM 0 HA GLN A 60 19.262 -12.457 13.785 1.00 51.32 H new ATOM 0 HB2 GLN A 60 21.317 -11.771 12.533 1.00 10.20 H new ATOM 0 HB3 GLN A 60 22.040 -13.327 12.892 1.00 10.20 H new ATOM 0 HG2 GLN A 60 20.473 -14.498 11.531 1.00 41.11 H new ATOM 0 HG3 GLN A 60 19.389 -13.124 11.448 1.00 41.11 H new ATOM 0 HE21 GLN A 60 19.757 -13.995 9.079 1.00 44.22 H new ATOM 0 HE22 GLN A 60 20.988 -13.120 8.163 1.00 44.22 H new ATOM 892 N GLY A 61 20.695 -14.909 15.300 1.00 51.23 N ATOM 893 CA GLY A 61 20.539 -16.296 15.697 1.00 11.21 C ATOM 894 C GLY A 61 21.445 -17.228 14.917 1.00 1.24 C ATOM 895 O GLY A 61 21.105 -18.390 14.692 1.00 4.32 O ATOM 0 H GLY A 61 21.382 -14.383 15.840 1.00 51.23 H new ATOM 0 HA2 GLY A 61 20.754 -16.392 16.761 1.00 11.21 H new ATOM 0 HA3 GLY A 61 19.502 -16.598 15.552 1.00 11.21 H new ATOM 899 N ILE A 62 22.600 -16.718 14.503 1.00 10.21 N ATOM 900 CA ILE A 62 23.557 -17.513 13.744 1.00 52.14 C ATOM 901 C ILE A 62 24.982 -17.272 14.231 1.00 55.53 C ATOM 902 O ILE A 62 25.370 -16.137 14.507 1.00 0.33 O ATOM 903 CB ILE A 62 23.481 -17.198 12.238 1.00 71.11 C ATOM 904 CG1 ILE A 62 23.401 -15.687 12.014 1.00 1.41 C ATOM 905 CG2 ILE A 62 22.283 -17.896 11.611 1.00 42.23 C ATOM 906 CD1 ILE A 62 24.342 -15.184 10.942 1.00 63.12 C ATOM 0 H ILE A 62 22.896 -15.758 14.680 1.00 10.21 H new ATOM 0 HA ILE A 62 23.294 -18.559 13.902 1.00 52.14 H new ATOM 0 HB ILE A 62 24.386 -17.570 11.758 1.00 71.11 H new ATOM 0 HG12 ILE A 62 22.379 -15.422 11.743 1.00 1.41 H new ATOM 0 HG13 ILE A 62 23.625 -15.177 12.951 1.00 1.41 H new ATOM 0 HG21 ILE A 62 22.243 -17.664 10.547 1.00 42.23 H new ATOM 0 HG22 ILE A 62 22.379 -18.974 11.744 1.00 42.23 H new ATOM 0 HG23 ILE A 62 21.368 -17.551 12.093 1.00 42.23 H new ATOM 0 HD11 ILE A 62 24.231 -14.105 10.838 1.00 63.12 H new ATOM 0 HD12 ILE A 62 25.369 -15.418 11.221 1.00 63.12 H new ATOM 0 HD13 ILE A 62 24.105 -15.667 9.994 1.00 63.12 H new ATOM 918 N SER A 63 25.757 -18.347 14.332 1.00 53.53 N ATOM 919 CA SER A 63 27.139 -18.252 14.787 1.00 33.33 C ATOM 920 C SER A 63 27.945 -17.320 13.888 1.00 71.32 C ATOM 921 O SER A 63 27.460 -16.867 12.851 1.00 33.30 O ATOM 922 CB SER A 63 27.785 -19.639 14.814 1.00 51.21 C ATOM 923 OG SER A 63 27.113 -20.497 15.719 1.00 21.24 O ATOM 0 H SER A 63 25.452 -19.293 14.105 1.00 53.53 H new ATOM 0 HA SER A 63 27.136 -17.840 15.796 1.00 33.33 H new ATOM 0 HB2 SER A 63 27.765 -20.072 13.814 1.00 51.21 H new ATOM 0 HB3 SER A 63 28.833 -19.550 15.102 1.00 51.21 H new ATOM 0 HG SER A 63 27.544 -21.377 15.716 1.00 21.24 H new ATOM 929 N ARG A 64 29.179 -17.038 14.293 1.00 71.41 N ATOM 930 CA ARG A 64 30.053 -16.160 13.525 1.00 10.44 C ATOM 931 C ARG A 64 30.774 -16.935 12.427 1.00 44.23 C ATOM 932 O ARG A 64 31.997 -16.872 12.310 1.00 44.11 O ATOM 933 CB ARG A 64 31.074 -15.490 14.446 1.00 3.34 C ATOM 934 CG ARG A 64 30.467 -14.924 15.720 1.00 22.41 C ATOM 935 CD ARG A 64 31.477 -14.096 16.499 1.00 63.41 C ATOM 936 NE ARG A 64 31.605 -14.548 17.882 1.00 62.12 N ATOM 937 CZ ARG A 64 32.337 -15.595 18.248 1.00 13.55 C ATOM 938 NH1 ARG A 64 33.003 -16.293 17.339 1.00 33.25 N ATOM 939 NH2 ARG A 64 32.404 -15.944 19.527 1.00 54.31 N ATOM 0 H ARG A 64 29.596 -17.405 15.149 1.00 71.41 H new ATOM 0 HA ARG A 64 29.436 -15.392 13.058 1.00 10.44 H new ATOM 0 HB2 ARG A 64 31.843 -16.216 14.711 1.00 3.34 H new ATOM 0 HB3 ARG A 64 31.569 -14.686 13.901 1.00 3.34 H new ATOM 0 HG2 ARG A 64 29.604 -14.306 15.470 1.00 22.41 H new ATOM 0 HG3 ARG A 64 30.104 -15.740 16.345 1.00 22.41 H new ATOM 0 HD2 ARG A 64 32.448 -14.153 16.008 1.00 63.41 H new ATOM 0 HD3 ARG A 64 31.174 -13.049 16.486 1.00 63.41 H new ATOM 0 HE ARG A 64 31.105 -14.032 18.606 1.00 62.12 H new ATOM 0 HH11 ARG A 64 32.955 -16.027 16.355 1.00 33.25 H new ATOM 0 HH12 ARG A 64 33.564 -17.096 17.623 1.00 33.25 H new ATOM 0 HH21 ARG A 64 31.894 -15.408 20.229 1.00 54.31 H new ATOM 0 HH22 ARG A 64 32.966 -16.748 19.808 1.00 54.31 H new ATOM 953 N ASN A 65 30.008 -17.666 11.624 1.00 15.32 N ATOM 954 CA ASN A 65 30.574 -18.454 10.536 1.00 74.24 C ATOM 955 C ASN A 65 29.733 -18.317 9.270 1.00 52.40 C ATOM 956 O ASN A 65 29.458 -19.302 8.585 1.00 51.30 O ATOM 957 CB ASN A 65 30.669 -19.927 10.941 1.00 52.54 C ATOM 958 CG ASN A 65 29.381 -20.442 11.554 1.00 4.24 C ATOM 959 OD1 ASN A 65 28.297 -19.934 11.268 1.00 42.22 O ATOM 960 ND2 ASN A 65 29.496 -21.456 12.404 1.00 14.22 N ATOM 0 H ASN A 65 28.993 -17.729 11.707 1.00 15.32 H new ATOM 0 HA ASN A 65 31.575 -18.075 10.329 1.00 74.24 H new ATOM 0 HB2 ASN A 65 30.917 -20.527 10.065 1.00 52.54 H new ATOM 0 HB3 ASN A 65 31.484 -20.053 11.654 1.00 52.54 H new ATOM 0 HD21 ASN A 65 28.665 -21.845 12.849 1.00 14.22 H new ATOM 0 HD22 ASN A 65 30.415 -21.846 12.611 1.00 14.22 H new ATOM 967 N SER A 66 29.328 -17.088 8.966 1.00 41.34 N ATOM 968 CA SER A 66 28.516 -16.821 7.784 1.00 10.02 C ATOM 969 C SER A 66 28.527 -15.334 7.442 1.00 62.34 C ATOM 970 O SER A 66 27.571 -14.810 6.871 1.00 14.53 O ATOM 971 CB SER A 66 27.078 -17.293 8.010 1.00 24.03 C ATOM 972 OG SER A 66 26.618 -18.067 6.916 1.00 13.02 O ATOM 0 H SER A 66 29.549 -16.262 9.522 1.00 41.34 H new ATOM 0 HA SER A 66 28.945 -17.372 6.947 1.00 10.02 H new ATOM 0 HB2 SER A 66 27.025 -17.883 8.925 1.00 24.03 H new ATOM 0 HB3 SER A 66 26.426 -16.430 8.149 1.00 24.03 H new ATOM 0 HG SER A 66 25.698 -18.358 7.085 1.00 13.02 H new ATOM 978 N VAL A 67 29.617 -14.660 7.794 1.00 24.41 N ATOM 979 CA VAL A 67 29.755 -13.234 7.524 1.00 65.32 C ATOM 980 C VAL A 67 31.201 -12.780 7.692 1.00 21.54 C ATOM 981 O VAL A 67 31.844 -13.082 8.698 1.00 13.12 O ATOM 982 CB VAL A 67 28.855 -12.398 8.451 1.00 13.55 C ATOM 983 CG1 VAL A 67 29.064 -12.799 9.904 1.00 42.34 C ATOM 984 CG2 VAL A 67 29.122 -10.913 8.256 1.00 43.21 C ATOM 0 H VAL A 67 30.418 -15.079 8.267 1.00 24.41 H new ATOM 0 HA VAL A 67 29.446 -13.076 6.491 1.00 65.32 H new ATOM 0 HB VAL A 67 27.815 -12.594 8.191 1.00 13.55 H new ATOM 0 HG11 VAL A 67 28.419 -12.197 10.544 1.00 42.34 H new ATOM 0 HG12 VAL A 67 28.818 -13.853 10.030 1.00 42.34 H new ATOM 0 HG13 VAL A 67 30.105 -12.634 10.181 1.00 42.34 H new ATOM 0 HG21 VAL A 67 28.477 -10.337 8.919 1.00 43.21 H new ATOM 0 HG22 VAL A 67 30.165 -10.697 8.487 1.00 43.21 H new ATOM 0 HG23 VAL A 67 28.916 -10.639 7.221 1.00 43.21 H new ATOM 994 N ARG A 68 31.707 -12.054 6.701 1.00 13.43 N ATOM 995 CA ARG A 68 33.077 -11.558 6.739 1.00 23.23 C ATOM 996 C ARG A 68 33.104 -10.033 6.731 1.00 4.43 C ATOM 997 O ARG A 68 32.762 -9.400 5.732 1.00 75.40 O ATOM 998 CB ARG A 68 33.871 -12.099 5.549 1.00 70.33 C ATOM 999 CG ARG A 68 35.377 -12.017 5.733 1.00 24.31 C ATOM 1000 CD ARG A 68 35.934 -13.293 6.346 1.00 11.22 C ATOM 1001 NE ARG A 68 37.306 -13.121 6.816 1.00 12.25 N ATOM 1002 CZ ARG A 68 38.357 -13.051 6.007 1.00 13.41 C ATOM 1003 NH1 ARG A 68 38.193 -13.137 4.694 1.00 4.32 N ATOM 1004 NH2 ARG A 68 39.574 -12.893 6.511 1.00 62.42 N ATOM 0 H ARG A 68 31.188 -11.796 5.861 1.00 13.43 H new ATOM 0 HA ARG A 68 33.537 -11.907 7.663 1.00 23.23 H new ATOM 0 HB2 ARG A 68 33.591 -13.138 5.379 1.00 70.33 H new ATOM 0 HB3 ARG A 68 33.592 -11.543 4.654 1.00 70.33 H new ATOM 0 HG2 ARG A 68 35.853 -11.837 4.769 1.00 24.31 H new ATOM 0 HG3 ARG A 68 35.621 -11.168 6.372 1.00 24.31 H new ATOM 0 HD2 ARG A 68 35.302 -13.601 7.179 1.00 11.22 H new ATOM 0 HD3 ARG A 68 35.902 -14.094 5.608 1.00 11.22 H new ATOM 0 HE ARG A 68 37.466 -13.051 7.821 1.00 12.25 H new ATOM 0 HH11 ARG A 68 37.258 -13.257 4.304 1.00 4.32 H new ATOM 0 HH12 ARG A 68 39.001 -13.083 4.074 1.00 4.32 H new ATOM 0 HH21 ARG A 68 39.703 -12.825 7.521 1.00 62.42 H new ATOM 0 HH22 ARG A 68 40.381 -12.839 5.889 1.00 62.42 H new ATOM 1018 N PHE A 69 33.514 -9.447 7.852 1.00 73.30 N ATOM 1019 CA PHE A 69 33.584 -7.996 7.975 1.00 41.12 C ATOM 1020 C PHE A 69 34.915 -7.469 7.446 1.00 71.33 C ATOM 1021 O PHE A 69 35.980 -7.987 7.785 1.00 12.01 O ATOM 1022 CB PHE A 69 33.401 -7.577 9.435 1.00 23.01 C ATOM 1023 CG PHE A 69 32.095 -8.023 10.028 1.00 41.14 C ATOM 1024 CD1 PHE A 69 31.922 -9.331 10.450 1.00 33.12 C ATOM 1025 CD2 PHE A 69 31.041 -7.134 10.162 1.00 0.15 C ATOM 1026 CE1 PHE A 69 30.720 -9.744 10.995 1.00 45.00 C ATOM 1027 CE2 PHE A 69 29.838 -7.541 10.707 1.00 35.00 C ATOM 1028 CZ PHE A 69 29.678 -8.848 11.125 1.00 54.33 C ATOM 0 H PHE A 69 33.803 -9.955 8.688 1.00 73.30 H new ATOM 0 HA PHE A 69 32.780 -7.567 7.378 1.00 41.12 H new ATOM 0 HB2 PHE A 69 34.219 -7.987 10.028 1.00 23.01 H new ATOM 0 HB3 PHE A 69 33.470 -6.491 9.504 1.00 23.01 H new ATOM 0 HD1 PHE A 69 32.735 -10.036 10.352 1.00 33.12 H new ATOM 0 HD2 PHE A 69 31.161 -6.111 9.837 1.00 0.15 H new ATOM 0 HE1 PHE A 69 30.597 -10.767 11.319 1.00 45.00 H new ATOM 0 HE2 PHE A 69 29.024 -6.838 10.806 1.00 35.00 H new ATOM 0 HZ PHE A 69 28.739 -9.168 11.553 1.00 54.33 H new ATOM 1038 N LEU A 70 34.846 -6.437 6.612 1.00 62.41 N ATOM 1039 CA LEU A 70 36.045 -5.839 6.034 1.00 31.52 C ATOM 1040 C LEU A 70 36.015 -4.320 6.169 1.00 22.54 C ATOM 1041 O LEU A 70 34.991 -3.684 5.919 1.00 22.41 O ATOM 1042 CB LEU A 70 36.174 -6.229 4.561 1.00 73.34 C ATOM 1043 CG LEU A 70 34.917 -6.052 3.707 1.00 24.22 C ATOM 1044 CD1 LEU A 70 34.833 -4.632 3.169 1.00 23.22 C ATOM 1045 CD2 LEU A 70 34.902 -7.059 2.566 1.00 14.30 C ATOM 0 H LEU A 70 33.973 -5.997 6.321 1.00 62.41 H new ATOM 0 HA LEU A 70 36.909 -6.217 6.580 1.00 31.52 H new ATOM 0 HB2 LEU A 70 36.976 -5.638 4.118 1.00 73.34 H new ATOM 0 HB3 LEU A 70 36.481 -7.274 4.508 1.00 73.34 H new ATOM 0 HG LEU A 70 34.045 -6.232 4.336 1.00 24.22 H new ATOM 0 HD11 LEU A 70 33.933 -4.525 2.564 1.00 23.22 H new ATOM 0 HD12 LEU A 70 34.797 -3.929 4.001 1.00 23.22 H new ATOM 0 HD13 LEU A 70 35.709 -4.423 2.556 1.00 23.22 H new ATOM 0 HD21 LEU A 70 34.001 -6.919 1.969 1.00 14.30 H new ATOM 0 HD22 LEU A 70 35.780 -6.910 1.938 1.00 14.30 H new ATOM 0 HD23 LEU A 70 34.914 -8.070 2.973 1.00 14.30 H new ATOM 1057 N PHE A 71 37.146 -3.745 6.565 1.00 14.40 N ATOM 1058 CA PHE A 71 37.250 -2.300 6.732 1.00 13.33 C ATOM 1059 C PHE A 71 38.287 -1.715 5.779 1.00 64.15 C ATOM 1060 O PHE A 71 39.420 -2.192 5.708 1.00 22.33 O ATOM 1061 CB PHE A 71 37.619 -1.957 8.177 1.00 34.53 C ATOM 1062 CG PHE A 71 39.030 -2.322 8.538 1.00 22.41 C ATOM 1063 CD1 PHE A 71 39.336 -3.595 8.993 1.00 61.25 C ATOM 1064 CD2 PHE A 71 40.051 -1.393 8.422 1.00 22.13 C ATOM 1065 CE1 PHE A 71 40.634 -3.933 9.326 1.00 60.21 C ATOM 1066 CE2 PHE A 71 41.351 -1.726 8.754 1.00 43.42 C ATOM 1067 CZ PHE A 71 41.643 -2.998 9.205 1.00 1.33 C ATOM 0 H PHE A 71 38.003 -4.257 6.776 1.00 14.40 H new ATOM 0 HA PHE A 71 36.279 -1.862 6.498 1.00 13.33 H new ATOM 0 HB2 PHE A 71 37.477 -0.888 8.336 1.00 34.53 H new ATOM 0 HB3 PHE A 71 36.935 -2.473 8.851 1.00 34.53 H new ATOM 0 HD1 PHE A 71 38.551 -4.331 9.088 1.00 61.25 H new ATOM 0 HD2 PHE A 71 39.829 -0.397 8.068 1.00 22.13 H new ATOM 0 HE1 PHE A 71 40.859 -4.928 9.681 1.00 60.21 H new ATOM 0 HE2 PHE A 71 42.138 -0.992 8.661 1.00 43.42 H new ATOM 0 HZ PHE A 71 42.658 -3.261 9.463 1.00 1.33 H new ATOM 1077 N ASP A 72 37.892 -0.680 5.046 1.00 51.10 N ATOM 1078 CA ASP A 72 38.787 -0.029 4.096 1.00 13.12 C ATOM 1079 C ASP A 72 39.209 -0.998 2.996 1.00 4.31 C ATOM 1080 O ASP A 72 40.190 -0.763 2.291 1.00 10.22 O ATOM 1081 CB ASP A 72 40.022 0.515 4.816 1.00 33.45 C ATOM 1082 CG ASP A 72 40.515 1.817 4.217 1.00 23.40 C ATOM 1083 OD1 ASP A 72 40.075 2.160 3.100 1.00 43.33 O ATOM 1084 OD2 ASP A 72 41.341 2.493 4.866 1.00 71.54 O ATOM 0 H ASP A 72 36.958 -0.274 5.091 1.00 51.10 H new ATOM 0 HA ASP A 72 38.249 0.801 3.638 1.00 13.12 H new ATOM 0 HB2 ASP A 72 39.786 0.669 5.869 1.00 33.45 H new ATOM 0 HB3 ASP A 72 40.820 -0.226 4.773 1.00 33.45 H new ATOM 1089 N GLY A 73 38.462 -2.089 2.856 1.00 45.20 N ATOM 1090 CA GLY A 73 38.776 -3.077 1.841 1.00 64.30 C ATOM 1091 C GLY A 73 39.648 -4.198 2.373 1.00 40.33 C ATOM 1092 O GLY A 73 40.221 -4.969 1.602 1.00 10.31 O ATOM 0 H GLY A 73 37.645 -2.306 3.427 1.00 45.20 H new ATOM 0 HA2 GLY A 73 37.850 -3.497 1.448 1.00 64.30 H new ATOM 0 HA3 GLY A 73 39.284 -2.590 1.009 1.00 64.30 H new ATOM 1096 N THR A 74 39.751 -4.289 3.695 1.00 2.41 N ATOM 1097 CA THR A 74 40.561 -5.321 4.329 1.00 5.43 C ATOM 1098 C THR A 74 39.702 -6.249 5.179 1.00 20.53 C ATOM 1099 O THR A 74 39.123 -5.848 6.189 1.00 25.22 O ATOM 1100 CB THR A 74 41.662 -4.706 5.214 1.00 44.10 C ATOM 1101 OG1 THR A 74 41.077 -4.079 6.360 1.00 14.33 O ATOM 1102 CG2 THR A 74 42.478 -3.686 4.433 1.00 33.30 C ATOM 0 H THR A 74 39.283 -3.660 4.348 1.00 2.41 H new ATOM 0 HA THR A 74 41.027 -5.894 3.527 1.00 5.43 H new ATOM 0 HB THR A 74 42.326 -5.508 5.538 1.00 44.10 H new ATOM 0 HG1 THR A 74 40.769 -3.180 6.120 1.00 14.33 H new ATOM 0 HG21 THR A 74 43.249 -3.266 5.079 1.00 33.30 H new ATOM 0 HG22 THR A 74 42.947 -4.173 3.578 1.00 33.30 H new ATOM 0 HG23 THR A 74 41.824 -2.888 4.082 1.00 33.30 H new ATOM 1110 N PRO A 75 39.615 -7.522 4.764 1.00 43.22 N ATOM 1111 CA PRO A 75 38.829 -8.535 5.474 1.00 1.33 C ATOM 1112 C PRO A 75 39.447 -8.912 6.816 1.00 22.22 C ATOM 1113 O PRO A 75 40.436 -9.644 6.871 1.00 73.44 O ATOM 1114 CB PRO A 75 38.849 -9.732 4.521 1.00 74.12 C ATOM 1115 CG PRO A 75 40.089 -9.554 3.715 1.00 71.31 C ATOM 1116 CD PRO A 75 40.279 -8.070 3.569 1.00 55.23 C ATOM 0 HA PRO A 75 37.827 -8.180 5.713 1.00 1.33 H new ATOM 0 HB2 PRO A 75 38.865 -10.674 5.069 1.00 74.12 H new ATOM 0 HB3 PRO A 75 37.963 -9.747 3.886 1.00 74.12 H new ATOM 0 HG2 PRO A 75 40.946 -10.010 4.211 1.00 71.31 H new ATOM 0 HG3 PRO A 75 39.993 -10.033 2.741 1.00 71.31 H new ATOM 0 HD2 PRO A 75 41.335 -7.801 3.537 1.00 55.23 H new ATOM 0 HD3 PRO A 75 39.827 -7.695 2.651 1.00 55.23 H new ATOM 1124 N ILE A 76 38.859 -8.409 7.896 1.00 52.42 N ATOM 1125 CA ILE A 76 39.352 -8.695 9.237 1.00 14.14 C ATOM 1126 C ILE A 76 38.217 -8.675 10.256 1.00 72.12 C ATOM 1127 O ILE A 76 37.379 -7.773 10.249 1.00 33.31 O ATOM 1128 CB ILE A 76 40.431 -7.684 9.668 1.00 32.24 C ATOM 1129 CG1 ILE A 76 41.549 -7.623 8.625 1.00 15.44 C ATOM 1130 CG2 ILE A 76 40.992 -8.058 11.032 1.00 13.34 C ATOM 1131 CD1 ILE A 76 42.660 -6.662 8.986 1.00 14.24 C ATOM 0 H ILE A 76 38.040 -7.801 7.868 1.00 52.42 H new ATOM 0 HA ILE A 76 39.792 -9.692 9.205 1.00 14.14 H new ATOM 0 HB ILE A 76 39.975 -6.697 9.742 1.00 32.24 H new ATOM 0 HG12 ILE A 76 41.970 -8.620 8.496 1.00 15.44 H new ATOM 0 HG13 ILE A 76 41.124 -7.330 7.665 1.00 15.44 H new ATOM 0 HG21 ILE A 76 41.753 -7.334 11.323 1.00 13.34 H new ATOM 0 HG22 ILE A 76 40.189 -8.056 11.769 1.00 13.34 H new ATOM 0 HG23 ILE A 76 41.436 -9.052 10.983 1.00 13.34 H new ATOM 0 HD11 ILE A 76 43.417 -6.670 8.202 1.00 14.24 H new ATOM 0 HD12 ILE A 76 42.253 -5.656 9.086 1.00 14.24 H new ATOM 0 HD13 ILE A 76 43.112 -6.966 9.930 1.00 14.24 H new ATOM 1143 N ASP A 77 38.197 -9.674 11.131 1.00 63.41 N ATOM 1144 CA ASP A 77 37.167 -9.771 12.158 1.00 10.24 C ATOM 1145 C ASP A 77 37.788 -9.783 13.552 1.00 44.04 C ATOM 1146 O ASP A 77 38.140 -10.840 14.075 1.00 14.31 O ATOM 1147 CB ASP A 77 36.326 -11.031 11.951 1.00 73.14 C ATOM 1148 CG ASP A 77 37.148 -12.199 11.443 1.00 24.23 C ATOM 1149 OD1 ASP A 77 37.770 -12.893 12.275 1.00 21.21 O ATOM 1150 OD2 ASP A 77 37.170 -12.420 10.215 1.00 52.25 O ATOM 0 H ASP A 77 38.883 -10.429 11.150 1.00 63.41 H new ATOM 0 HA ASP A 77 36.523 -8.896 12.074 1.00 10.24 H new ATOM 0 HB2 ASP A 77 35.852 -11.307 12.893 1.00 73.14 H new ATOM 0 HB3 ASP A 77 35.526 -10.818 11.242 1.00 73.14 H new ATOM 1155 N GLU A 78 37.922 -8.601 14.145 1.00 15.11 N ATOM 1156 CA GLU A 78 38.503 -8.477 15.477 1.00 54.43 C ATOM 1157 C GLU A 78 38.522 -7.019 15.928 1.00 35.12 C ATOM 1158 O GLU A 78 38.334 -6.105 15.124 1.00 21.04 O ATOM 1159 CB GLU A 78 39.923 -9.045 15.493 1.00 60.44 C ATOM 1160 CG GLU A 78 40.037 -10.377 16.215 1.00 23.12 C ATOM 1161 CD GLU A 78 40.922 -11.365 15.481 1.00 63.33 C ATOM 1162 OE1 GLU A 78 42.009 -10.960 15.019 1.00 24.12 O ATOM 1163 OE2 GLU A 78 40.527 -12.545 15.368 1.00 41.32 O ATOM 0 H GLU A 78 37.637 -7.716 13.725 1.00 15.11 H new ATOM 0 HA GLU A 78 37.884 -9.046 16.170 1.00 54.43 H new ATOM 0 HB2 GLU A 78 40.268 -9.167 14.466 1.00 60.44 H new ATOM 0 HB3 GLU A 78 40.588 -8.325 15.969 1.00 60.44 H new ATOM 0 HG2 GLU A 78 40.437 -10.211 17.215 1.00 23.12 H new ATOM 0 HG3 GLU A 78 39.043 -10.806 16.336 1.00 23.12 H new ATOM 1170 N THR A 79 38.749 -6.809 17.221 1.00 32.02 N ATOM 1171 CA THR A 79 38.791 -5.464 17.781 1.00 34.22 C ATOM 1172 C THR A 79 40.219 -5.052 18.117 1.00 65.53 C ATOM 1173 O THR A 79 40.443 -4.116 18.884 1.00 21.35 O ATOM 1174 CB THR A 79 37.926 -5.357 19.052 1.00 70.55 C ATOM 1175 OG1 THR A 79 37.831 -3.990 19.466 1.00 20.21 O ATOM 1176 CG2 THR A 79 38.513 -6.195 20.178 1.00 44.52 C ATOM 0 H THR A 79 38.907 -7.554 17.900 1.00 32.02 H new ATOM 0 HA THR A 79 38.392 -4.793 17.020 1.00 34.22 H new ATOM 0 HB THR A 79 36.930 -5.735 18.821 1.00 70.55 H new ATOM 0 HG1 THR A 79 38.719 -3.576 19.435 1.00 20.21 H new ATOM 0 HG21 THR A 79 37.886 -6.104 21.065 1.00 44.52 H new ATOM 0 HG22 THR A 79 38.556 -7.240 19.870 1.00 44.52 H new ATOM 0 HG23 THR A 79 39.519 -5.843 20.407 1.00 44.52 H new ATOM 1184 N LYS A 80 41.185 -5.757 17.536 1.00 31.03 N ATOM 1185 CA LYS A 80 42.594 -5.464 17.772 1.00 72.14 C ATOM 1186 C LYS A 80 43.300 -5.105 16.468 1.00 11.11 C ATOM 1187 O LYS A 80 44.145 -4.209 16.433 1.00 33.43 O ATOM 1188 CB LYS A 80 43.284 -6.665 18.424 1.00 55.44 C ATOM 1189 CG LYS A 80 43.794 -6.385 19.826 1.00 11.25 C ATOM 1190 CD LYS A 80 42.661 -6.015 20.769 1.00 53.13 C ATOM 1191 CE LYS A 80 43.137 -5.939 22.211 1.00 5.40 C ATOM 1192 NZ LYS A 80 43.676 -7.243 22.687 1.00 52.00 N ATOM 0 H LYS A 80 41.017 -6.535 16.898 1.00 31.03 H new ATOM 0 HA LYS A 80 42.654 -4.609 18.445 1.00 72.14 H new ATOM 0 HB2 LYS A 80 42.584 -7.500 18.461 1.00 55.44 H new ATOM 0 HB3 LYS A 80 44.120 -6.977 17.798 1.00 55.44 H new ATOM 0 HG2 LYS A 80 44.313 -7.264 20.207 1.00 11.25 H new ATOM 0 HG3 LYS A 80 44.521 -5.574 19.794 1.00 11.25 H new ATOM 0 HD2 LYS A 80 42.239 -5.054 20.473 1.00 53.13 H new ATOM 0 HD3 LYS A 80 41.863 -6.753 20.687 1.00 53.13 H new ATOM 0 HE2 LYS A 80 43.908 -5.174 22.299 1.00 5.40 H new ATOM 0 HE3 LYS A 80 42.309 -5.633 22.851 1.00 5.40 H new ATOM 0 HZ1 LYS A 80 43.688 -7.255 23.727 1.00 52.00 H new ATOM 0 HZ2 LYS A 80 43.073 -8.016 22.339 1.00 52.00 H new ATOM 0 HZ3 LYS A 80 44.644 -7.371 22.328 1.00 52.00 H new ATOM 1206 N THR A 81 42.948 -5.808 15.396 1.00 33.01 N ATOM 1207 CA THR A 81 43.547 -5.563 14.091 1.00 62.05 C ATOM 1208 C THR A 81 43.203 -4.168 13.580 1.00 32.53 C ATOM 1209 O THR A 81 44.077 -3.333 13.346 1.00 33.43 O ATOM 1210 CB THR A 81 43.084 -6.605 13.055 1.00 31.11 C ATOM 1211 OG1 THR A 81 42.151 -7.511 13.655 1.00 2.22 O ATOM 1212 CG2 THR A 81 44.269 -7.382 12.502 1.00 71.21 C ATOM 0 H THR A 81 42.250 -6.552 15.407 1.00 33.01 H new ATOM 0 HA THR A 81 44.626 -5.644 14.220 1.00 62.05 H new ATOM 0 HB THR A 81 42.600 -6.077 12.233 1.00 31.11 H new ATOM 0 HG1 THR A 81 42.421 -8.433 13.464 1.00 2.22 H new ATOM 0 HG21 THR A 81 43.917 -8.112 11.773 1.00 71.21 H new ATOM 0 HG22 THR A 81 44.963 -6.693 12.020 1.00 71.21 H new ATOM 0 HG23 THR A 81 44.777 -7.899 13.316 1.00 71.21 H new ATOM 1220 N PRO A 82 41.899 -3.907 13.404 1.00 61.55 N ATOM 1221 CA PRO A 82 41.409 -2.613 12.920 1.00 23.12 C ATOM 1222 C PRO A 82 41.592 -1.503 13.949 1.00 4.04 C ATOM 1223 O PRO A 82 41.593 -0.321 13.607 1.00 63.23 O ATOM 1224 CB PRO A 82 39.921 -2.869 12.668 1.00 2.52 C ATOM 1225 CG PRO A 82 39.571 -3.997 13.576 1.00 5.31 C ATOM 1226 CD PRO A 82 40.803 -4.856 13.662 1.00 14.35 C ATOM 0 HA PRO A 82 41.953 -2.275 12.038 1.00 23.12 H new ATOM 0 HB2 PRO A 82 39.324 -1.984 12.888 1.00 2.52 H new ATOM 0 HB3 PRO A 82 39.735 -3.128 11.626 1.00 2.52 H new ATOM 0 HG2 PRO A 82 39.281 -3.630 14.561 1.00 5.31 H new ATOM 0 HG3 PRO A 82 38.726 -4.564 13.186 1.00 5.31 H new ATOM 0 HD2 PRO A 82 40.899 -5.324 14.642 1.00 14.35 H new ATOM 0 HD3 PRO A 82 40.785 -5.659 12.925 1.00 14.35 H new ATOM 1234 N GLU A 83 41.748 -1.892 15.211 1.00 14.32 N ATOM 1235 CA GLU A 83 41.931 -0.928 16.290 1.00 43.43 C ATOM 1236 C GLU A 83 43.345 -0.354 16.272 1.00 62.02 C ATOM 1237 O GLU A 83 43.534 0.861 16.329 1.00 75.44 O ATOM 1238 CB GLU A 83 41.652 -1.584 17.643 1.00 24.04 C ATOM 1239 CG GLU A 83 41.210 -0.603 18.716 1.00 1.10 C ATOM 1240 CD GLU A 83 41.892 -0.849 20.048 1.00 14.51 C ATOM 1241 OE1 GLU A 83 41.785 -1.977 20.571 1.00 73.53 O ATOM 1242 OE2 GLU A 83 42.532 0.089 20.568 1.00 44.22 O ATOM 0 H GLU A 83 41.751 -2.867 15.511 1.00 14.32 H new ATOM 0 HA GLU A 83 41.224 -0.112 16.138 1.00 43.43 H new ATOM 0 HB2 GLU A 83 40.880 -2.343 17.517 1.00 24.04 H new ATOM 0 HB3 GLU A 83 42.552 -2.098 17.981 1.00 24.04 H new ATOM 0 HG2 GLU A 83 41.424 0.413 18.385 1.00 1.10 H new ATOM 0 HG3 GLU A 83 40.130 -0.675 18.846 1.00 1.10 H new ATOM 1249 N GLU A 84 44.335 -1.238 16.193 1.00 2.12 N ATOM 1250 CA GLU A 84 45.732 -0.819 16.169 1.00 32.44 C ATOM 1251 C GLU A 84 46.104 -0.244 14.806 1.00 3.00 C ATOM 1252 O GLU A 84 46.916 0.677 14.709 1.00 10.40 O ATOM 1253 CB GLU A 84 46.647 -1.999 16.504 1.00 34.43 C ATOM 1254 CG GLU A 84 46.716 -3.047 15.406 1.00 53.11 C ATOM 1255 CD GLU A 84 47.857 -2.803 14.438 1.00 51.43 C ATOM 1256 OE1 GLU A 84 48.510 -1.743 14.544 1.00 35.51 O ATOM 1257 OE2 GLU A 84 48.097 -3.672 13.573 1.00 1.35 O ATOM 0 H GLU A 84 44.196 -2.247 16.145 1.00 2.12 H new ATOM 0 HA GLU A 84 45.864 -0.041 16.921 1.00 32.44 H new ATOM 0 HB2 GLU A 84 47.652 -1.624 16.701 1.00 34.43 H new ATOM 0 HB3 GLU A 84 46.297 -2.470 17.423 1.00 34.43 H new ATOM 0 HG2 GLU A 84 46.831 -4.033 15.857 1.00 53.11 H new ATOM 0 HG3 GLU A 84 45.774 -3.055 14.857 1.00 53.11 H new ATOM 1264 N LEU A 85 45.506 -0.794 13.755 1.00 1.01 N ATOM 1265 CA LEU A 85 45.774 -0.337 12.396 1.00 4.30 C ATOM 1266 C LEU A 85 45.063 0.983 12.115 1.00 5.33 C ATOM 1267 O LEU A 85 45.572 1.830 11.382 1.00 53.21 O ATOM 1268 CB LEU A 85 45.330 -1.394 11.384 1.00 14.00 C ATOM 1269 CG LEU A 85 46.001 -1.334 10.011 1.00 13.44 C ATOM 1270 CD1 LEU A 85 47.218 -2.245 9.972 1.00 52.53 C ATOM 1271 CD2 LEU A 85 45.013 -1.712 8.918 1.00 72.44 C ATOM 0 H LEU A 85 44.832 -1.557 13.818 1.00 1.01 H new ATOM 0 HA LEU A 85 46.848 -0.178 12.298 1.00 4.30 H new ATOM 0 HB2 LEU A 85 45.514 -2.379 11.813 1.00 14.00 H new ATOM 0 HB3 LEU A 85 44.253 -1.304 11.244 1.00 14.00 H new ATOM 0 HG LEU A 85 46.333 -0.311 9.834 1.00 13.44 H new ATOM 0 HD11 LEU A 85 47.683 -2.189 8.988 1.00 52.53 H new ATOM 0 HD12 LEU A 85 47.934 -1.928 10.730 1.00 52.53 H new ATOM 0 HD13 LEU A 85 46.910 -3.272 10.171 1.00 52.53 H new ATOM 0 HD21 LEU A 85 45.508 -1.664 7.948 1.00 72.44 H new ATOM 0 HD22 LEU A 85 44.650 -2.725 9.090 1.00 72.44 H new ATOM 0 HD23 LEU A 85 44.172 -1.018 8.932 1.00 72.44 H new ATOM 1283 N GLY A 86 43.884 1.152 12.706 1.00 3.13 N ATOM 1284 CA GLY A 86 43.124 2.372 12.509 1.00 13.12 C ATOM 1285 C GLY A 86 43.452 3.433 13.541 1.00 52.10 C ATOM 1286 O GLY A 86 43.918 4.519 13.197 1.00 15.15 O ATOM 0 H GLY A 86 43.442 0.466 13.318 1.00 3.13 H new ATOM 0 HA2 GLY A 86 43.325 2.765 11.512 1.00 13.12 H new ATOM 0 HA3 GLY A 86 42.059 2.144 12.553 1.00 13.12 H new ATOM 1290 N MET A 87 43.207 3.119 14.809 1.00 71.01 N ATOM 1291 CA MET A 87 43.479 4.055 15.894 1.00 63.41 C ATOM 1292 C MET A 87 42.609 5.301 15.768 1.00 33.25 C ATOM 1293 O MET A 87 43.073 6.418 15.996 1.00 75.41 O ATOM 1294 CB MET A 87 44.958 4.449 15.897 1.00 55.03 C ATOM 1295 CG MET A 87 45.903 3.262 15.808 1.00 3.34 C ATOM 1296 SD MET A 87 47.628 3.760 15.639 1.00 21.11 S ATOM 1297 CE MET A 87 48.420 2.630 16.781 1.00 62.44 C ATOM 0 H MET A 87 42.821 2.224 15.110 1.00 71.01 H new ATOM 0 HA MET A 87 43.240 3.561 16.836 1.00 63.41 H new ATOM 0 HB2 MET A 87 45.149 5.119 15.058 1.00 55.03 H new ATOM 0 HB3 MET A 87 45.175 5.008 16.807 1.00 55.03 H new ATOM 0 HG2 MET A 87 45.792 2.646 16.701 1.00 3.34 H new ATOM 0 HG3 MET A 87 45.623 2.642 14.956 1.00 3.34 H new ATOM 0 HE1 MET A 87 49.427 2.404 16.430 1.00 62.44 H new ATOM 0 HE2 MET A 87 48.474 3.089 17.768 1.00 62.44 H new ATOM 0 HE3 MET A 87 47.841 1.708 16.841 1.00 62.44 H new ATOM 1307 N GLU A 88 41.346 5.101 15.405 1.00 34.11 N ATOM 1308 CA GLU A 88 40.412 6.210 15.249 1.00 71.01 C ATOM 1309 C GLU A 88 39.022 5.826 15.749 1.00 23.21 C ATOM 1310 O GLU A 88 38.708 4.644 15.896 1.00 44.42 O ATOM 1311 CB GLU A 88 40.337 6.640 13.782 1.00 1.03 C ATOM 1312 CG GLU A 88 39.662 7.986 13.576 1.00 31.53 C ATOM 1313 CD GLU A 88 40.278 9.083 14.422 1.00 32.02 C ATOM 1314 OE1 GLU A 88 41.500 9.024 14.671 1.00 22.33 O ATOM 1315 OE2 GLU A 88 39.538 10.000 14.835 1.00 2.41 O ATOM 0 H GLU A 88 40.946 4.182 15.214 1.00 34.11 H new ATOM 0 HA GLU A 88 40.777 7.045 15.847 1.00 71.01 H new ATOM 0 HB2 GLU A 88 41.346 6.683 13.373 1.00 1.03 H new ATOM 0 HB3 GLU A 88 39.796 5.881 13.217 1.00 1.03 H new ATOM 0 HG2 GLU A 88 39.727 8.264 12.524 1.00 31.53 H new ATOM 0 HG3 GLU A 88 38.603 7.898 13.817 1.00 31.53 H new ATOM 1322 N ASP A 89 38.195 6.832 16.010 1.00 71.15 N ATOM 1323 CA ASP A 89 36.839 6.601 16.493 1.00 75.21 C ATOM 1324 C ASP A 89 35.866 6.445 15.328 1.00 13.12 C ATOM 1325 O ASP A 89 34.652 6.557 15.501 1.00 11.10 O ATOM 1326 CB ASP A 89 36.393 7.752 17.395 1.00 12.44 C ATOM 1327 CG ASP A 89 36.700 9.110 16.796 1.00 45.42 C ATOM 1328 OD1 ASP A 89 36.076 9.463 15.774 1.00 55.44 O ATOM 1329 OD2 ASP A 89 37.566 9.821 17.349 1.00 35.42 O ATOM 0 H ASP A 89 38.440 7.815 15.895 1.00 71.15 H new ATOM 0 HA ASP A 89 36.838 5.676 17.070 1.00 75.21 H new ATOM 0 HB2 ASP A 89 35.321 7.673 17.577 1.00 12.44 H new ATOM 0 HB3 ASP A 89 36.888 7.665 18.362 1.00 12.44 H new ATOM 1334 N ASP A 90 36.407 6.188 14.143 1.00 72.44 N ATOM 1335 CA ASP A 90 35.587 6.017 12.949 1.00 71.52 C ATOM 1336 C ASP A 90 35.829 4.650 12.315 1.00 51.45 C ATOM 1337 O ASP A 90 35.949 4.534 11.095 1.00 70.22 O ATOM 1338 CB ASP A 90 35.886 7.123 11.936 1.00 32.01 C ATOM 1339 CG ASP A 90 35.310 8.462 12.354 1.00 31.43 C ATOM 1340 OD1 ASP A 90 36.011 9.213 13.064 1.00 73.12 O ATOM 1341 OD2 ASP A 90 34.158 8.758 11.973 1.00 71.42 O ATOM 0 H ASP A 90 37.410 6.093 13.983 1.00 72.44 H new ATOM 0 HA ASP A 90 34.540 6.080 13.245 1.00 71.52 H new ATOM 0 HB2 ASP A 90 36.965 7.217 11.813 1.00 32.01 H new ATOM 0 HB3 ASP A 90 35.478 6.842 10.965 1.00 32.01 H new ATOM 1346 N ASP A 91 35.900 3.620 13.150 1.00 3.32 N ATOM 1347 CA ASP A 91 36.128 2.262 12.672 1.00 61.35 C ATOM 1348 C ASP A 91 34.876 1.705 12.000 1.00 4.04 C ATOM 1349 O ASP A 91 33.866 1.456 12.657 1.00 33.54 O ATOM 1350 CB ASP A 91 36.548 1.354 13.829 1.00 50.13 C ATOM 1351 CG ASP A 91 36.403 -0.117 13.493 1.00 74.13 C ATOM 1352 OD1 ASP A 91 37.361 -0.697 12.942 1.00 44.14 O ATOM 1353 OD2 ASP A 91 35.330 -0.689 13.780 1.00 12.41 O ATOM 0 H ASP A 91 35.803 3.700 14.162 1.00 3.32 H new ATOM 0 HA ASP A 91 36.931 2.293 11.935 1.00 61.35 H new ATOM 0 HB2 ASP A 91 37.585 1.563 14.093 1.00 50.13 H new ATOM 0 HB3 ASP A 91 35.943 1.585 14.706 1.00 50.13 H new ATOM 1358 N VAL A 92 34.951 1.513 10.687 1.00 13.50 N ATOM 1359 CA VAL A 92 33.824 0.986 9.926 1.00 10.44 C ATOM 1360 C VAL A 92 34.082 -0.450 9.486 1.00 44.04 C ATOM 1361 O VAL A 92 35.231 -0.867 9.336 1.00 44.45 O ATOM 1362 CB VAL A 92 33.533 1.849 8.684 1.00 62.33 C ATOM 1363 CG1 VAL A 92 33.537 3.326 9.046 1.00 50.01 C ATOM 1364 CG2 VAL A 92 34.545 1.558 7.585 1.00 32.05 C ATOM 0 H VAL A 92 35.780 1.714 10.128 1.00 13.50 H new ATOM 0 HA VAL A 92 32.957 1.010 10.586 1.00 10.44 H new ATOM 0 HB VAL A 92 32.541 1.595 8.311 1.00 62.33 H new ATOM 0 HG11 VAL A 92 33.330 3.919 8.156 1.00 50.01 H new ATOM 0 HG12 VAL A 92 32.771 3.519 9.797 1.00 50.01 H new ATOM 0 HG13 VAL A 92 34.513 3.600 9.445 1.00 50.01 H new ATOM 0 HG21 VAL A 92 34.325 2.176 6.715 1.00 32.05 H new ATOM 0 HG22 VAL A 92 35.549 1.783 7.946 1.00 32.05 H new ATOM 0 HG23 VAL A 92 34.487 0.506 7.307 1.00 32.05 H new ATOM 1374 N ILE A 93 33.007 -1.202 9.279 1.00 33.23 N ATOM 1375 CA ILE A 93 33.117 -2.592 8.854 1.00 42.01 C ATOM 1376 C ILE A 93 31.913 -3.008 8.015 1.00 3.44 C ATOM 1377 O ILE A 93 30.777 -2.990 8.490 1.00 25.21 O ATOM 1378 CB ILE A 93 33.241 -3.542 10.060 1.00 42.21 C ATOM 1379 CG1 ILE A 93 32.194 -3.195 11.120 1.00 0.51 C ATOM 1380 CG2 ILE A 93 34.642 -3.471 10.648 1.00 4.54 C ATOM 1381 CD1 ILE A 93 31.551 -4.408 11.754 1.00 0.14 C ATOM 0 H ILE A 93 32.049 -0.872 9.399 1.00 33.23 H new ATOM 0 HA ILE A 93 34.021 -2.666 8.249 1.00 42.01 H new ATOM 0 HB ILE A 93 33.062 -4.562 9.720 1.00 42.21 H new ATOM 0 HG12 ILE A 93 32.663 -2.594 11.899 1.00 0.51 H new ATOM 0 HG13 ILE A 93 31.418 -2.579 10.665 1.00 0.51 H new ATOM 0 HG21 ILE A 93 34.714 -4.148 11.499 1.00 4.54 H new ATOM 0 HG22 ILE A 93 35.370 -3.762 9.890 1.00 4.54 H new ATOM 0 HG23 ILE A 93 34.848 -2.452 10.976 1.00 4.54 H new ATOM 0 HD11 ILE A 93 30.820 -4.086 12.495 1.00 0.14 H new ATOM 0 HD12 ILE A 93 31.053 -4.999 10.986 1.00 0.14 H new ATOM 0 HD13 ILE A 93 32.316 -5.014 12.239 1.00 0.14 H new ATOM 1393 N ASP A 94 32.170 -3.383 6.767 1.00 11.32 N ATOM 1394 CA ASP A 94 31.108 -3.806 5.862 1.00 35.34 C ATOM 1395 C ASP A 94 31.021 -5.328 5.800 1.00 21.04 C ATOM 1396 O ASP A 94 31.939 -5.993 5.322 1.00 45.34 O ATOM 1397 CB ASP A 94 31.345 -3.239 4.462 1.00 71.01 C ATOM 1398 CG ASP A 94 30.184 -3.506 3.525 1.00 73.34 C ATOM 1399 OD1 ASP A 94 29.206 -4.149 3.960 1.00 22.51 O ATOM 1400 OD2 ASP A 94 30.253 -3.073 2.355 1.00 12.12 O ATOM 0 H ASP A 94 33.105 -3.403 6.359 1.00 11.32 H new ATOM 0 HA ASP A 94 30.163 -3.421 6.246 1.00 35.34 H new ATOM 0 HB2 ASP A 94 31.512 -2.164 4.532 1.00 71.01 H new ATOM 0 HB3 ASP A 94 32.252 -3.676 4.045 1.00 71.01 H new ATOM 1405 N ALA A 95 29.912 -5.873 6.289 1.00 72.01 N ATOM 1406 CA ALA A 95 29.705 -7.316 6.288 1.00 2.11 C ATOM 1407 C ALA A 95 29.376 -7.823 4.888 1.00 44.31 C ATOM 1408 O ALA A 95 28.416 -7.372 4.264 1.00 2.32 O ATOM 1409 CB ALA A 95 28.597 -7.691 7.261 1.00 50.11 C ATOM 0 H ALA A 95 29.143 -5.337 6.691 1.00 72.01 H new ATOM 0 HA ALA A 95 30.632 -7.791 6.609 1.00 2.11 H new ATOM 0 HB1 ALA A 95 28.453 -8.771 7.250 1.00 50.11 H new ATOM 0 HB2 ALA A 95 28.872 -7.372 8.266 1.00 50.11 H new ATOM 0 HB3 ALA A 95 27.671 -7.199 6.965 1.00 50.11 H new ATOM 1415 N MET A 96 30.180 -8.762 4.400 1.00 40.13 N ATOM 1416 CA MET A 96 29.973 -9.330 3.073 1.00 42.14 C ATOM 1417 C MET A 96 29.885 -10.851 3.140 1.00 23.20 C ATOM 1418 O MET A 96 30.429 -11.475 4.052 1.00 50.42 O ATOM 1419 CB MET A 96 31.107 -8.914 2.134 1.00 45.00 C ATOM 1420 CG MET A 96 30.628 -8.204 0.878 1.00 12.15 C ATOM 1421 SD MET A 96 31.870 -7.092 0.192 1.00 10.30 S ATOM 1422 CE MET A 96 31.173 -6.763 -1.425 1.00 65.01 C ATOM 0 H MET A 96 30.980 -9.145 4.903 1.00 40.13 H new ATOM 0 HA MET A 96 29.030 -8.946 2.684 1.00 42.14 H new ATOM 0 HB2 MET A 96 31.792 -8.259 2.673 1.00 45.00 H new ATOM 0 HB3 MET A 96 31.673 -9.800 1.847 1.00 45.00 H new ATOM 0 HG2 MET A 96 30.356 -8.946 0.127 1.00 12.15 H new ATOM 0 HG3 MET A 96 29.726 -7.637 1.107 1.00 12.15 H new ATOM 0 HE1 MET A 96 31.829 -6.087 -1.973 1.00 65.01 H new ATOM 0 HE2 MET A 96 31.074 -7.698 -1.976 1.00 65.01 H new ATOM 0 HE3 MET A 96 30.191 -6.303 -1.311 1.00 65.01 H new ATOM 1432 N VAL A 97 29.197 -11.443 2.169 1.00 31.52 N ATOM 1433 CA VAL A 97 29.039 -12.892 2.118 1.00 13.03 C ATOM 1434 C VAL A 97 30.272 -13.559 1.520 1.00 40.24 C ATOM 1435 O VAL A 97 30.467 -13.548 0.305 1.00 51.12 O ATOM 1436 CB VAL A 97 27.801 -13.293 1.294 1.00 12.30 C ATOM 1437 CG1 VAL A 97 27.593 -14.799 1.341 1.00 53.22 C ATOM 1438 CG2 VAL A 97 26.566 -12.560 1.797 1.00 43.31 C ATOM 0 H VAL A 97 28.740 -10.942 1.407 1.00 31.52 H new ATOM 0 HA VAL A 97 28.908 -13.232 3.145 1.00 13.03 H new ATOM 0 HB VAL A 97 27.968 -13.006 0.256 1.00 12.30 H new ATOM 0 HG11 VAL A 97 26.714 -15.063 0.753 1.00 53.22 H new ATOM 0 HG12 VAL A 97 28.469 -15.300 0.929 1.00 53.22 H new ATOM 0 HG13 VAL A 97 27.447 -15.114 2.374 1.00 53.22 H new ATOM 0 HG21 VAL A 97 25.701 -12.855 1.204 1.00 43.31 H new ATOM 0 HG22 VAL A 97 26.393 -12.814 2.843 1.00 43.31 H new ATOM 0 HG23 VAL A 97 26.719 -11.485 1.706 1.00 43.31 H new