USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 71 GLN : amide:sc= -0.462 X(o=0.79,f=0.54) USER MOD Set 1.2: A 76 TYR OH : rot 156:sc= 1.25 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 106 ASN : amide:sc= 1.14 K(o=2.3,f=-9.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= 1.18 (180deg=1.03) USER MOD Single : A 40 SER OG : rot 102:sc= 1.29 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.32 (180deg=1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00348 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.63! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 50 MET CE :methyl -167:sc= -0.646 (180deg=-0.828) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 2.45 (180deg=1.71) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.311 K(o=0.31,f=-0.4) USER MOD Single : A 60 TYR OH : rot -179:sc= 1.23 USER MOD Single : A 62 MET CE :methyl -166:sc= -0.103 (180deg=-0.409) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -129:sc= 1.45 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.07) USER MOD Single : A 72 GLN : amide:sc= -2.54! C(o=-2.5!,f=-1.8!) USER MOD Single : A 73 HIS : no HD1:sc= -0.53 K(o=-0.53,f=0.037) USER MOD Single : A 77 CYS SG : rot 7:sc= -0.435 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 90 SER OG : rot -20:sc= -0.191 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= -0.145 (180deg=-0.578) USER MOD Single : A 96 HIS : no HD1:sc= -0.445 K(o=-0.44,f=0.11) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 68:sc= -0.593 USER MOD Single : A 101 THR OG1 : rot -84:sc= 0.244 USER MOD Single : A 102 MET CE :methyl -110:sc= -0.703 (180deg=-1.31) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 305 THR OG1 : rot 180:sc= 0 USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 311 SER OG : rot 89:sc= 1.13 USER MOD Single : B 312 SER OG : rot 78:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 42.359 -22.057 -7.885 1.00 5.11 N ATOM 334 CA LEU A 27 43.609 -22.562 -7.383 1.00 60.50 C ATOM 335 C LEU A 27 44.689 -22.401 -8.415 1.00 75.55 C ATOM 336 O LEU A 27 44.458 -22.590 -9.619 1.00 13.21 O ATOM 337 CB LEU A 27 43.476 -24.017 -6.942 1.00 70.13 C ATOM 338 CG LEU A 27 42.647 -24.251 -5.673 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.410 -25.734 -5.458 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.366 -23.668 -4.464 1.00 40.21 C ATOM 0 HA LEU A 27 43.888 -21.980 -6.505 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.028 -24.586 -7.757 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.475 -24.422 -6.782 1.00 70.13 H new ATOM 0 HG LEU A 27 41.684 -23.754 -5.795 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.820 -25.881 -4.553 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.872 -26.144 -6.312 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.368 -26.244 -5.354 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.769 -23.839 -3.568 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.337 -24.150 -4.351 1.00 40.21 H new ATOM 0 HD23 LEU A 27 43.507 -22.597 -4.606 1.00 40.21 H new ATOM 352 N VAL A 28 45.848 -22.055 -7.965 1.00 40.25 N ATOM 353 CA VAL A 28 46.941 -21.802 -8.847 1.00 11.42 C ATOM 354 C VAL A 28 47.867 -23.008 -8.929 1.00 51.22 C ATOM 355 O VAL A 28 48.024 -23.765 -7.956 1.00 23.41 O ATOM 356 CB VAL A 28 47.695 -20.515 -8.453 1.00 72.31 C ATOM 357 CG1 VAL A 28 46.768 -19.309 -8.563 1.00 1.12 C ATOM 358 CG2 VAL A 28 48.260 -20.601 -7.049 1.00 61.10 C ATOM 0 H VAL A 28 46.066 -21.939 -6.975 1.00 40.25 H new ATOM 0 HA VAL A 28 46.538 -21.637 -9.846 1.00 11.42 H new ATOM 0 HB VAL A 28 48.530 -20.399 -9.144 1.00 72.31 H new ATOM 0 HG11 VAL A 28 47.311 -18.406 -8.283 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.413 -19.215 -9.589 1.00 1.12 H new ATOM 0 HG13 VAL A 28 45.917 -19.443 -7.896 1.00 1.12 H new ATOM 0 HG21 VAL A 28 48.783 -19.675 -6.810 1.00 61.10 H new ATOM 0 HG22 VAL A 28 47.447 -20.752 -6.338 1.00 61.10 H new ATOM 0 HG23 VAL A 28 48.956 -21.437 -6.988 1.00 61.10 H new ATOM 368 N ARG A 29 48.440 -23.202 -10.095 1.00 35.24 N ATOM 369 CA ARG A 29 49.231 -24.376 -10.391 1.00 74.24 C ATOM 370 C ARG A 29 50.686 -24.022 -10.628 1.00 40.32 C ATOM 371 O ARG A 29 50.982 -23.215 -11.488 1.00 20.51 O ATOM 372 CB ARG A 29 48.653 -25.043 -11.606 1.00 11.01 C ATOM 373 CG ARG A 29 47.307 -25.667 -11.366 1.00 63.52 C ATOM 374 CD ARG A 29 46.711 -26.175 -12.659 1.00 40.33 C ATOM 375 NE ARG A 29 45.994 -25.112 -13.382 1.00 65.21 N ATOM 376 CZ ARG A 29 45.732 -25.094 -14.695 1.00 15.23 C ATOM 377 NH1 ARG A 29 46.200 -26.051 -15.488 1.00 52.24 N ATOM 378 NH2 ARG A 29 45.006 -24.104 -15.209 1.00 32.15 N ATOM 0 H ARG A 29 48.370 -22.544 -10.871 1.00 35.24 H new ATOM 0 HA ARG A 29 49.200 -25.052 -9.536 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.566 -24.309 -12.407 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.344 -25.812 -11.952 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.404 -26.490 -10.657 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.637 -24.935 -10.915 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.503 -26.576 -13.292 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.027 -26.996 -12.446 1.00 40.33 H new ATOM 0 HE ARG A 29 45.667 -24.317 -12.833 1.00 65.21 H new ATOM 0 HH11 ARG A 29 46.763 -26.807 -15.098 1.00 52.24 H new ATOM 0 HH12 ARG A 29 45.996 -26.030 -16.487 1.00 52.24 H new ATOM 0 HH21 ARG A 29 44.652 -23.364 -14.603 1.00 32.15 H new ATOM 0 HH22 ARG A 29 44.804 -24.086 -16.209 1.00 32.15 H new ATOM 392 N PRO A 30 51.607 -24.662 -9.900 1.00 1.41 N ATOM 393 CA PRO A 30 53.031 -24.324 -9.937 1.00 43.14 C ATOM 394 C PRO A 30 53.825 -25.012 -11.049 1.00 24.23 C ATOM 395 O PRO A 30 53.377 -25.996 -11.660 1.00 23.12 O ATOM 396 CB PRO A 30 53.515 -24.887 -8.605 1.00 54.02 C ATOM 397 CG PRO A 30 52.701 -26.120 -8.415 1.00 53.23 C ATOM 398 CD PRO A 30 51.344 -25.806 -8.989 1.00 55.33 C ATOM 0 HA PRO A 30 53.169 -23.257 -10.112 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.581 -25.113 -8.631 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.360 -24.178 -7.792 1.00 54.02 H new ATOM 0 HG2 PRO A 30 53.154 -26.970 -8.924 1.00 53.23 H new ATOM 0 HG3 PRO A 30 52.628 -26.382 -7.360 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.928 -26.659 -9.526 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.630 -25.542 -8.209 1.00 55.33 H new ATOM 406 N LYS A 31 55.002 -24.468 -11.305 1.00 71.41 N ATOM 407 CA LYS A 31 56.002 -25.125 -12.123 1.00 13.12 C ATOM 408 C LYS A 31 56.660 -26.193 -11.248 1.00 60.43 C ATOM 409 O LYS A 31 56.528 -26.127 -10.006 1.00 12.54 O ATOM 410 CB LYS A 31 57.092 -24.126 -12.562 1.00 45.42 C ATOM 411 CG LYS A 31 56.678 -23.115 -13.601 1.00 33.03 C ATOM 412 CD LYS A 31 57.844 -22.204 -13.948 1.00 44.22 C ATOM 413 CE LYS A 31 57.484 -21.229 -15.050 1.00 72.11 C ATOM 414 NZ LYS A 31 58.589 -20.286 -15.346 1.00 53.45 N ATOM 0 H LYS A 31 55.290 -23.556 -10.950 1.00 71.41 H new ATOM 0 HA LYS A 31 55.535 -25.546 -13.013 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.442 -23.590 -11.680 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.940 -24.690 -12.950 1.00 45.42 H new ATOM 0 HG2 LYS A 31 56.329 -23.627 -14.498 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.843 -22.522 -13.228 1.00 33.03 H new ATOM 0 HD2 LYS A 31 58.152 -21.652 -13.060 1.00 44.22 H new ATOM 0 HD3 LYS A 31 58.697 -22.807 -14.260 1.00 44.22 H new ATOM 0 HE2 LYS A 31 57.229 -21.783 -15.954 1.00 72.11 H new ATOM 0 HE3 LYS A 31 56.597 -20.667 -14.760 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 58.392 -19.789 -16.238 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 58.670 -19.593 -14.575 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 59.481 -20.813 -15.433 1.00 53.45 H new ATOM 428 N PRO A 32 57.390 -27.167 -11.835 1.00 4.31 N ATOM 429 CA PRO A 32 58.096 -28.201 -11.073 1.00 5.12 C ATOM 430 C PRO A 32 59.047 -27.604 -10.049 1.00 74.20 C ATOM 431 O PRO A 32 59.232 -28.162 -8.989 1.00 50.13 O ATOM 432 CB PRO A 32 58.878 -28.982 -12.140 1.00 54.05 C ATOM 433 CG PRO A 32 58.887 -28.081 -13.317 1.00 52.24 C ATOM 434 CD PRO A 32 57.570 -27.380 -13.281 1.00 71.25 C ATOM 0 HA PRO A 32 57.407 -28.824 -10.502 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.890 -29.210 -11.805 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.397 -29.933 -12.370 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.713 -27.371 -13.264 1.00 52.24 H new ATOM 0 HG3 PRO A 32 59.009 -28.643 -14.243 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.590 -26.441 -13.835 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.771 -27.986 -13.709 1.00 71.25 H new ATOM 442 N LEU A 33 59.607 -26.447 -10.364 1.00 43.22 N ATOM 443 CA LEU A 33 60.527 -25.760 -9.466 1.00 61.34 C ATOM 444 C LEU A 33 59.825 -25.333 -8.177 1.00 33.42 C ATOM 445 O LEU A 33 60.341 -25.534 -7.072 1.00 21.42 O ATOM 446 CB LEU A 33 61.143 -24.556 -10.160 1.00 61.22 C ATOM 447 CG LEU A 33 61.925 -24.867 -11.431 1.00 51.04 C ATOM 448 CD1 LEU A 33 62.459 -23.599 -12.053 1.00 51.51 C ATOM 449 CD2 LEU A 33 63.049 -25.852 -11.145 1.00 21.44 C ATOM 0 H LEU A 33 59.439 -25.958 -11.244 1.00 43.22 H new ATOM 0 HA LEU A 33 61.322 -26.456 -9.200 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.348 -23.852 -10.405 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.808 -24.053 -9.458 1.00 61.22 H new ATOM 0 HG LEU A 33 61.246 -25.332 -12.146 1.00 51.04 H new ATOM 0 HD11 LEU A 33 63.014 -23.844 -12.959 1.00 51.51 H new ATOM 0 HD12 LEU A 33 61.629 -22.939 -12.303 1.00 51.51 H new ATOM 0 HD13 LEU A 33 63.121 -23.098 -11.346 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.594 -26.060 -12.066 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.730 -25.424 -10.409 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.630 -26.779 -10.755 1.00 21.44 H new ATOM 461 N LEU A 34 58.631 -24.790 -8.318 1.00 3.45 N ATOM 462 CA LEU A 34 57.858 -24.373 -7.168 1.00 64.14 C ATOM 463 C LEU A 34 57.385 -25.598 -6.420 1.00 22.24 C ATOM 464 O LEU A 34 57.555 -25.696 -5.215 1.00 75.12 O ATOM 465 CB LEU A 34 56.657 -23.474 -7.554 1.00 35.35 C ATOM 466 CG LEU A 34 56.947 -22.008 -7.950 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.776 -21.904 -9.225 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.644 -21.235 -8.101 1.00 52.54 C ATOM 0 H LEU A 34 58.177 -24.628 -9.217 1.00 3.45 H new ATOM 0 HA LEU A 34 58.503 -23.770 -6.529 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.138 -23.949 -8.387 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.964 -23.462 -6.712 1.00 35.35 H new ATOM 0 HG LEU A 34 57.538 -21.568 -7.147 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.952 -20.854 -9.460 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.731 -22.409 -9.080 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.238 -22.375 -10.048 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.863 -20.204 -8.380 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.033 -21.699 -8.876 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.102 -21.248 -7.156 1.00 52.54 H new ATOM 480 N LEU A 35 56.861 -26.563 -7.168 1.00 65.12 N ATOM 481 CA LEU A 35 56.356 -27.822 -6.613 1.00 5.32 C ATOM 482 C LEU A 35 57.464 -28.553 -5.838 1.00 54.41 C ATOM 483 O LEU A 35 57.202 -29.221 -4.818 1.00 53.44 O ATOM 484 CB LEU A 35 55.845 -28.695 -7.750 1.00 2.42 C ATOM 485 CG LEU A 35 55.065 -29.940 -7.348 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.816 -29.559 -6.563 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.686 -30.714 -8.575 1.00 71.40 C ATOM 0 H LEU A 35 56.772 -26.497 -8.182 1.00 65.12 H new ATOM 0 HA LEU A 35 55.542 -27.610 -5.920 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.208 -28.084 -8.390 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.698 -29.006 -8.353 1.00 2.42 H new ATOM 0 HG LEU A 35 55.695 -30.560 -6.710 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.272 -30.461 -6.285 1.00 24.24 H new ATOM 0 HD12 LEU A 35 54.104 -29.016 -5.662 1.00 24.24 H new ATOM 0 HD13 LEU A 35 53.178 -28.926 -7.180 1.00 24.24 H new ATOM 0 HD21 LEU A 35 54.128 -31.604 -8.286 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.067 -30.092 -9.221 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.588 -31.009 -9.112 1.00 71.40 H new ATOM 499 N LYS A 36 58.692 -28.403 -6.329 1.00 42.34 N ATOM 500 CA LYS A 36 59.881 -28.933 -5.699 1.00 34.14 C ATOM 501 C LYS A 36 60.026 -28.386 -4.302 1.00 62.12 C ATOM 502 O LYS A 36 60.062 -29.152 -3.335 1.00 31.42 O ATOM 503 CB LYS A 36 61.145 -28.575 -6.516 1.00 22.41 C ATOM 504 CG LYS A 36 62.448 -28.838 -5.775 1.00 43.13 C ATOM 505 CD LYS A 36 63.674 -28.435 -6.582 1.00 75.31 C ATOM 506 CE LYS A 36 64.945 -28.660 -5.771 1.00 21.21 C ATOM 507 NZ LYS A 36 66.163 -28.260 -6.502 1.00 23.02 N ATOM 0 H LYS A 36 58.884 -27.898 -7.194 1.00 42.34 H new ATOM 0 HA LYS A 36 59.778 -30.017 -5.657 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.142 -29.149 -7.443 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.101 -27.522 -6.793 1.00 22.41 H new ATOM 0 HG2 LYS A 36 62.442 -28.290 -4.833 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.513 -29.898 -5.528 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.716 -29.015 -7.504 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.599 -27.386 -6.868 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.882 -28.096 -4.840 1.00 21.21 H new ATOM 0 HE3 LYS A 36 65.017 -29.713 -5.501 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 66.998 -28.433 -5.907 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 66.241 -28.816 -7.378 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 66.110 -27.248 -6.738 1.00 23.02 H new ATOM 521 N LEU A 37 60.031 -27.070 -4.176 1.00 21.34 N ATOM 522 CA LEU A 37 60.301 -26.466 -2.901 1.00 4.13 C ATOM 523 C LEU A 37 59.123 -26.645 -1.969 1.00 55.22 C ATOM 524 O LEU A 37 59.306 -26.911 -0.796 1.00 44.31 O ATOM 525 CB LEU A 37 60.740 -24.981 -3.062 1.00 20.40 C ATOM 526 CG LEU A 37 59.737 -23.967 -3.652 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.774 -23.409 -2.586 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.468 -22.839 -4.364 1.00 24.22 C ATOM 0 H LEU A 37 59.852 -26.414 -4.936 1.00 21.34 H new ATOM 0 HA LEU A 37 61.145 -26.978 -2.439 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.037 -24.617 -2.079 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.631 -24.967 -3.690 1.00 20.40 H new ATOM 0 HG LEU A 37 59.129 -24.504 -4.380 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.088 -22.700 -3.050 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.206 -24.228 -2.145 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.346 -22.904 -1.808 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.742 -22.136 -4.772 1.00 24.22 H new ATOM 0 HD22 LEU A 37 61.116 -22.322 -3.656 1.00 24.22 H new ATOM 0 HD23 LEU A 37 61.070 -23.250 -5.174 1.00 24.22 H new ATOM 540 N LEU A 38 57.921 -26.583 -2.531 1.00 2.01 N ATOM 541 CA LEU A 38 56.696 -26.720 -1.772 1.00 62.52 C ATOM 542 C LEU A 38 56.647 -28.058 -1.050 1.00 61.11 C ATOM 543 O LEU A 38 56.596 -28.110 0.176 1.00 21.21 O ATOM 544 CB LEU A 38 55.465 -26.566 -2.686 1.00 42.14 C ATOM 545 CG LEU A 38 55.286 -25.206 -3.379 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.138 -25.257 -4.365 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.055 -24.094 -2.370 1.00 34.23 C ATOM 0 H LEU A 38 57.775 -26.436 -3.530 1.00 2.01 H new ATOM 0 HA LEU A 38 56.678 -25.925 -1.026 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.514 -27.336 -3.456 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.573 -26.765 -2.092 1.00 42.14 H new ATOM 0 HG LEU A 38 56.208 -24.989 -3.918 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.027 -24.285 -4.845 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.342 -26.014 -5.122 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.217 -25.509 -3.839 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.933 -23.146 -2.895 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.156 -24.308 -1.792 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.911 -24.029 -1.698 1.00 34.23 H new ATOM 559 N LYS A 39 56.750 -29.144 -1.783 1.00 4.41 N ATOM 560 CA LYS A 39 56.604 -30.451 -1.171 1.00 72.50 C ATOM 561 C LYS A 39 57.817 -30.850 -0.360 1.00 71.11 C ATOM 562 O LYS A 39 57.749 -31.769 0.467 1.00 23.23 O ATOM 563 CB LYS A 39 56.193 -31.524 -2.173 1.00 34.33 C ATOM 564 CG LYS A 39 54.803 -31.307 -2.747 1.00 51.34 C ATOM 565 CD LYS A 39 54.351 -32.484 -3.583 1.00 50.31 C ATOM 566 CE LYS A 39 52.926 -32.290 -4.064 1.00 14.03 C ATOM 567 NZ LYS A 39 52.434 -33.458 -4.805 1.00 31.25 N ATOM 0 H LYS A 39 56.931 -29.153 -2.787 1.00 4.41 H new ATOM 0 HA LYS A 39 55.779 -30.364 -0.464 1.00 72.50 H new ATOM 0 HB2 LYS A 39 56.916 -31.547 -2.988 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.230 -32.499 -1.687 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.095 -31.145 -1.934 1.00 51.34 H new ATOM 0 HG3 LYS A 39 54.799 -30.404 -3.358 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.015 -32.604 -4.439 1.00 50.31 H new ATOM 0 HD3 LYS A 39 54.420 -33.400 -2.996 1.00 50.31 H new ATOM 0 HE2 LYS A 39 52.277 -32.103 -3.209 1.00 14.03 H new ATOM 0 HE3 LYS A 39 52.875 -31.408 -4.702 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 51.778 -33.146 -5.549 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.237 -33.958 -5.238 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 51.938 -34.099 -4.153 1.00 31.25 H new ATOM 581 N SER A 40 58.903 -30.145 -0.548 1.00 51.14 N ATOM 582 CA SER A 40 60.079 -30.396 0.228 1.00 42.10 C ATOM 583 C SER A 40 60.015 -29.656 1.573 1.00 14.45 C ATOM 584 O SER A 40 60.696 -30.033 2.517 1.00 42.43 O ATOM 585 CB SER A 40 61.335 -30.019 -0.548 1.00 12.23 C ATOM 586 OG SER A 40 61.434 -30.785 -1.751 1.00 61.15 O ATOM 0 H SER A 40 58.993 -29.394 -1.232 1.00 51.14 H new ATOM 0 HA SER A 40 60.125 -31.465 0.436 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.315 -28.956 -0.788 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.216 -30.189 0.071 1.00 12.23 H new ATOM 0 HG SER A 40 61.153 -30.236 -2.512 1.00 61.15 H new ATOM 592 N VAL A 41 59.180 -28.615 1.661 1.00 11.22 N ATOM 593 CA VAL A 41 59.062 -27.851 2.906 1.00 71.41 C ATOM 594 C VAL A 41 57.801 -28.193 3.673 1.00 64.32 C ATOM 595 O VAL A 41 57.471 -27.545 4.666 1.00 51.12 O ATOM 596 CB VAL A 41 59.163 -26.319 2.710 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.509 -25.942 2.119 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.021 -25.791 1.856 1.00 74.11 C ATOM 0 H VAL A 41 58.586 -28.287 0.899 1.00 11.22 H new ATOM 0 HA VAL A 41 59.925 -28.156 3.497 1.00 71.41 H new ATOM 0 HB VAL A 41 59.079 -25.850 3.690 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.559 -24.861 1.989 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.305 -26.264 2.791 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.631 -26.430 1.152 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.123 -24.712 1.739 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.049 -26.267 0.876 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.071 -26.015 2.341 1.00 74.11 H new ATOM 608 N GLY A 42 57.108 -29.206 3.226 1.00 13.41 N ATOM 609 CA GLY A 42 55.950 -29.653 3.953 1.00 34.34 C ATOM 610 C GLY A 42 54.641 -29.346 3.283 1.00 74.23 C ATOM 611 O GLY A 42 53.627 -29.203 3.956 1.00 22.34 O ATOM 0 H GLY A 42 57.320 -29.730 2.377 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.024 -30.730 4.103 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.956 -29.192 4.941 1.00 34.34 H new ATOM 615 N ALA A 43 54.632 -29.256 1.974 1.00 52.43 N ATOM 616 CA ALA A 43 53.379 -29.053 1.277 1.00 31.35 C ATOM 617 C ALA A 43 52.896 -30.389 0.803 1.00 13.11 C ATOM 618 O ALA A 43 53.675 -31.183 0.273 1.00 2.23 O ATOM 619 CB ALA A 43 53.495 -28.088 0.109 1.00 2.41 C ATOM 0 H ALA A 43 55.458 -29.318 1.378 1.00 52.43 H new ATOM 0 HA ALA A 43 52.670 -28.598 1.969 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.522 -27.979 -0.371 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.831 -27.117 0.472 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.214 -28.475 -0.613 1.00 2.41 H new ATOM 625 N GLN A 44 51.656 -30.661 1.038 1.00 11.11 N ATOM 626 CA GLN A 44 51.056 -31.916 0.664 1.00 14.10 C ATOM 627 C GLN A 44 50.068 -31.691 -0.481 1.00 41.31 C ATOM 628 O GLN A 44 49.508 -32.643 -1.039 1.00 14.35 O ATOM 629 CB GLN A 44 50.341 -32.519 1.874 1.00 34.11 C ATOM 630 CG GLN A 44 51.197 -32.534 3.135 1.00 12.52 C ATOM 631 CD GLN A 44 50.539 -33.243 4.293 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.809 -32.640 5.080 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.813 -34.508 4.422 1.00 5.12 N ATOM 0 H GLN A 44 51.015 -30.016 1.500 1.00 11.11 H new ATOM 0 HA GLN A 44 51.829 -32.608 0.329 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.430 -31.953 2.068 1.00 34.11 H new ATOM 0 HB3 GLN A 44 50.038 -33.539 1.637 1.00 34.11 H new ATOM 0 HG2 GLN A 44 52.148 -33.018 2.915 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.421 -31.508 3.426 1.00 12.52 H new ATOM 0 HE21 GLN A 44 51.423 -34.969 3.747 1.00 5.12 H new ATOM 0 HE22 GLN A 44 50.418 -35.039 5.198 1.00 5.12 H new ATOM 642 N LYS A 45 49.883 -30.432 -0.832 1.00 34.22 N ATOM 643 CA LYS A 45 48.976 -30.022 -1.866 1.00 1.22 C ATOM 644 C LYS A 45 49.625 -30.033 -3.212 1.00 34.45 C ATOM 645 O LYS A 45 50.849 -29.923 -3.338 1.00 73.42 O ATOM 646 CB LYS A 45 48.485 -28.602 -1.604 1.00 41.14 C ATOM 647 CG LYS A 45 47.449 -28.473 -0.530 1.00 41.43 C ATOM 648 CD LYS A 45 47.125 -27.021 -0.255 1.00 52.41 C ATOM 649 CE LYS A 45 45.929 -26.928 0.641 1.00 2.42 C ATOM 650 NZ LYS A 45 45.567 -25.532 0.971 1.00 21.35 N ATOM 0 H LYS A 45 50.375 -29.655 -0.391 1.00 34.22 H new ATOM 0 HA LYS A 45 48.148 -30.731 -1.857 1.00 1.22 H new ATOM 0 HB2 LYS A 45 49.341 -27.982 -1.337 1.00 41.14 H new ATOM 0 HB3 LYS A 45 48.076 -28.199 -2.531 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.543 -29.000 -0.829 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.807 -28.948 0.383 1.00 41.43 H new ATOM 0 HD2 LYS A 45 47.979 -26.531 0.212 1.00 52.41 H new ATOM 0 HD3 LYS A 45 46.930 -26.499 -1.192 1.00 52.41 H new ATOM 0 HE2 LYS A 45 45.081 -27.414 0.159 1.00 2.42 H new ATOM 0 HE3 LYS A 45 46.128 -27.475 1.563 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.859 -25.528 1.733 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 46.415 -25.018 1.284 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.172 -25.067 0.129 1.00 21.35 H new ATOM 664 N ASP A 46 48.801 -30.179 -4.204 1.00 71.23 N ATOM 665 CA ASP A 46 49.207 -30.057 -5.578 1.00 33.11 C ATOM 666 C ASP A 46 48.654 -28.755 -6.100 1.00 43.41 C ATOM 667 O ASP A 46 49.049 -28.277 -7.161 1.00 45.42 O ATOM 668 CB ASP A 46 48.675 -31.212 -6.447 1.00 22.43 C ATOM 669 CG ASP A 46 49.173 -32.573 -6.035 1.00 54.13 C ATOM 670 OD1 ASP A 46 50.350 -32.903 -6.286 1.00 45.24 O ATOM 671 OD2 ASP A 46 48.387 -33.358 -5.463 1.00 72.22 O ATOM 0 H ASP A 46 47.810 -30.390 -4.084 1.00 71.23 H new ATOM 0 HA ASP A 46 50.295 -30.088 -5.627 1.00 33.11 H new ATOM 0 HB2 ASP A 46 47.586 -31.209 -6.409 1.00 22.43 H new ATOM 0 HB3 ASP A 46 48.958 -31.032 -7.484 1.00 22.43 H new ATOM 676 N THR A 47 47.742 -28.162 -5.334 1.00 73.34 N ATOM 677 CA THR A 47 47.116 -26.930 -5.717 1.00 64.41 C ATOM 678 C THR A 47 46.969 -26.087 -4.514 1.00 71.43 C ATOM 679 O THR A 47 46.732 -26.607 -3.429 1.00 40.44 O ATOM 680 CB THR A 47 45.748 -27.133 -6.378 1.00 20.33 C ATOM 681 OG1 THR A 47 45.010 -28.169 -5.706 1.00 44.41 O ATOM 682 CG2 THR A 47 45.867 -27.421 -7.863 1.00 54.35 C ATOM 0 H THR A 47 47.427 -28.531 -4.437 1.00 73.34 H new ATOM 0 HA THR A 47 47.751 -26.449 -6.461 1.00 64.41 H new ATOM 0 HB THR A 47 45.197 -26.197 -6.281 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.139 -28.284 -6.140 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.873 -27.558 -8.288 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.361 -26.585 -8.357 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.453 -28.328 -8.012 1.00 54.35 H new ATOM 690 N TYR A 48 47.092 -24.814 -4.678 1.00 21.32 N ATOM 691 CA TYR A 48 47.131 -23.945 -3.546 1.00 72.11 C ATOM 692 C TYR A 48 46.669 -22.547 -3.914 1.00 63.32 C ATOM 693 O TYR A 48 46.376 -22.272 -5.087 1.00 44.22 O ATOM 694 CB TYR A 48 48.571 -23.925 -3.006 1.00 30.34 C ATOM 695 CG TYR A 48 49.607 -23.541 -4.057 1.00 40.51 C ATOM 696 CD1 TYR A 48 49.955 -22.223 -4.273 1.00 63.43 C ATOM 697 CD2 TYR A 48 50.207 -24.506 -4.852 1.00 21.34 C ATOM 698 CE1 TYR A 48 50.867 -21.876 -5.248 1.00 12.51 C ATOM 699 CE2 TYR A 48 51.119 -24.159 -5.818 1.00 2.02 C ATOM 700 CZ TYR A 48 51.443 -22.841 -6.012 1.00 2.34 C ATOM 701 OH TYR A 48 52.338 -22.485 -6.991 1.00 72.12 O ATOM 0 H TYR A 48 47.167 -24.350 -5.583 1.00 21.32 H new ATOM 0 HA TYR A 48 46.451 -24.311 -2.777 1.00 72.11 H new ATOM 0 HB2 TYR A 48 48.630 -23.222 -2.175 1.00 30.34 H new ATOM 0 HB3 TYR A 48 48.816 -24.910 -2.608 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.505 -21.450 -3.668 1.00 63.43 H new ATOM 0 HD2 TYR A 48 49.953 -25.546 -4.709 1.00 21.34 H new ATOM 0 HE1 TYR A 48 51.123 -20.838 -5.404 1.00 12.51 H new ATOM 0 HE2 TYR A 48 51.581 -24.924 -6.425 1.00 2.02 H new ATOM 0 HH TYR A 48 52.802 -21.663 -6.727 1.00 72.12 H new ATOM 711 N THR A 49 46.584 -21.695 -2.924 1.00 4.35 N ATOM 712 CA THR A 49 46.232 -20.322 -3.109 1.00 1.34 C ATOM 713 C THR A 49 47.417 -19.427 -2.770 1.00 15.00 C ATOM 714 O THR A 49 48.470 -19.911 -2.302 1.00 52.25 O ATOM 715 CB THR A 49 45.020 -19.941 -2.232 1.00 51.02 C ATOM 716 OG1 THR A 49 45.209 -20.428 -0.892 1.00 64.22 O ATOM 717 CG2 THR A 49 43.728 -20.499 -2.801 1.00 61.52 C ATOM 0 H THR A 49 46.762 -21.947 -1.952 1.00 4.35 H new ATOM 0 HA THR A 49 45.960 -20.179 -4.155 1.00 1.34 H new ATOM 0 HB THR A 49 44.945 -18.854 -2.219 1.00 51.02 H new ATOM 0 HG1 THR A 49 44.437 -20.181 -0.342 1.00 64.22 H new ATOM 0 HG21 THR A 49 42.894 -20.213 -2.160 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.569 -20.100 -3.803 1.00 61.52 H new ATOM 0 HG23 THR A 49 43.791 -21.586 -2.850 1.00 61.52 H new ATOM 725 N MET A 50 47.228 -18.143 -3.000 1.00 21.14 N ATOM 726 CA MET A 50 48.215 -17.070 -2.735 1.00 1.43 C ATOM 727 C MET A 50 48.858 -17.238 -1.347 1.00 72.53 C ATOM 728 O MET A 50 50.069 -17.308 -1.225 1.00 74.21 O ATOM 729 CB MET A 50 47.485 -15.710 -2.791 1.00 22.31 C ATOM 730 CG MET A 50 48.327 -14.438 -2.545 1.00 4.50 C ATOM 731 SD MET A 50 49.129 -13.731 -4.031 1.00 33.11 S ATOM 732 CE MET A 50 50.542 -14.782 -4.311 1.00 73.31 C ATOM 0 H MET A 50 46.356 -17.786 -3.391 1.00 21.14 H new ATOM 0 HA MET A 50 49.003 -17.122 -3.486 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.017 -15.619 -3.771 1.00 22.31 H new ATOM 0 HB3 MET A 50 46.681 -15.729 -2.055 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.684 -13.677 -2.102 1.00 4.50 H new ATOM 0 HG3 MET A 50 49.099 -14.670 -1.811 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.209 -14.310 -5.032 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.073 -14.936 -3.372 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.209 -15.744 -4.701 1.00 73.31 H new ATOM 742 N LYS A 51 48.023 -17.377 -0.335 1.00 14.32 N ATOM 743 CA LYS A 51 48.461 -17.466 1.089 1.00 64.44 C ATOM 744 C LYS A 51 49.344 -18.680 1.333 1.00 30.11 C ATOM 745 O LYS A 51 50.282 -18.620 2.122 1.00 14.04 O ATOM 746 CB LYS A 51 47.247 -17.629 1.985 1.00 41.10 C ATOM 747 CG LYS A 51 46.243 -16.512 1.952 1.00 73.21 C ATOM 748 CD LYS A 51 44.993 -16.915 2.722 1.00 42.42 C ATOM 749 CE LYS A 51 44.050 -15.751 2.943 1.00 70.32 C ATOM 750 NZ LYS A 51 44.651 -14.732 3.822 1.00 25.31 N ATOM 0 H LYS A 51 47.012 -17.434 -0.454 1.00 14.32 H new ATOM 0 HA LYS A 51 49.014 -16.553 1.308 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.740 -18.554 1.710 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.593 -17.749 3.012 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.674 -15.611 2.388 1.00 73.21 H new ATOM 0 HG3 LYS A 51 45.984 -16.275 0.920 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.472 -17.702 2.177 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.283 -17.332 3.686 1.00 42.42 H new ATOM 0 HE2 LYS A 51 43.794 -15.301 1.984 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.121 -16.112 3.384 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.897 -14.191 4.292 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 45.242 -15.198 4.540 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 45.238 -14.087 3.255 1.00 25.31 H new ATOM 764 N GLU A 52 49.021 -19.769 0.675 1.00 55.54 N ATOM 765 CA GLU A 52 49.738 -21.023 0.853 1.00 75.23 C ATOM 766 C GLU A 52 51.169 -20.867 0.383 1.00 14.34 C ATOM 767 O GLU A 52 52.094 -21.447 0.958 1.00 34.14 O ATOM 768 CB GLU A 52 49.061 -22.133 0.075 1.00 51.14 C ATOM 769 CG GLU A 52 47.590 -22.329 0.411 1.00 60.21 C ATOM 770 CD GLU A 52 47.338 -22.658 1.862 1.00 40.45 C ATOM 771 OE1 GLU A 52 47.177 -21.736 2.677 1.00 34.40 O ATOM 772 OE2 GLU A 52 47.272 -23.857 2.208 1.00 4.25 O ATOM 0 H GLU A 52 48.257 -19.817 0.001 1.00 55.54 H new ATOM 0 HA GLU A 52 49.732 -21.283 1.912 1.00 75.23 H new ATOM 0 HB2 GLU A 52 49.153 -21.922 -0.990 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.591 -23.067 0.262 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.043 -21.422 0.153 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.188 -23.130 -0.209 1.00 60.21 H new ATOM 779 N VAL A 53 51.351 -20.052 -0.650 1.00 43.32 N ATOM 780 CA VAL A 53 52.679 -19.760 -1.161 1.00 51.12 C ATOM 781 C VAL A 53 53.447 -19.059 -0.083 1.00 21.10 C ATOM 782 O VAL A 53 54.511 -19.473 0.247 1.00 11.23 O ATOM 783 CB VAL A 53 52.659 -18.861 -2.397 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.003 -18.896 -3.074 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.564 -19.256 -3.342 1.00 10.42 C ATOM 0 H VAL A 53 50.594 -19.583 -1.148 1.00 43.32 H new ATOM 0 HA VAL A 53 53.137 -20.705 -1.452 1.00 51.12 H new ATOM 0 HB VAL A 53 52.454 -17.839 -2.080 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.984 -18.254 -3.954 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.768 -18.542 -2.383 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.232 -19.918 -3.376 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.577 -18.597 -4.210 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.716 -20.286 -3.666 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.601 -19.173 -2.838 1.00 10.42 H new ATOM 795 N LEU A 54 52.874 -18.002 0.472 1.00 70.30 N ATOM 796 CA LEU A 54 53.435 -17.307 1.608 1.00 2.43 C ATOM 797 C LEU A 54 53.886 -18.276 2.689 1.00 14.03 C ATOM 798 O LEU A 54 55.005 -18.203 3.162 1.00 21.52 O ATOM 799 CB LEU A 54 52.406 -16.343 2.185 1.00 11.33 C ATOM 800 CG LEU A 54 52.200 -15.031 1.441 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.742 -15.171 0.019 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.375 -14.053 2.226 1.00 72.44 C ATOM 0 H LEU A 54 51.997 -17.602 0.139 1.00 70.30 H new ATOM 0 HA LEU A 54 54.308 -16.754 1.262 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.447 -16.859 2.234 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.696 -16.110 3.210 1.00 11.33 H new ATOM 0 HG LEU A 54 53.201 -14.609 1.352 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.624 -14.182 -0.424 1.00 70.35 H new ATOM 0 HD12 LEU A 54 52.482 -15.737 -0.547 1.00 70.35 H new ATOM 0 HD13 LEU A 54 50.787 -15.696 -0.006 1.00 70.35 H new ATOM 0 HD21 LEU A 54 51.257 -13.134 1.652 1.00 72.44 H new ATOM 0 HD22 LEU A 54 50.394 -14.484 2.427 1.00 72.44 H new ATOM 0 HD23 LEU A 54 51.874 -13.831 3.169 1.00 72.44 H new ATOM 814 N PHE A 55 53.054 -19.220 2.998 1.00 3.44 N ATOM 815 CA PHE A 55 53.360 -20.163 4.042 1.00 31.34 C ATOM 816 C PHE A 55 54.575 -21.033 3.656 1.00 34.30 C ATOM 817 O PHE A 55 55.618 -20.987 4.306 1.00 13.01 O ATOM 818 CB PHE A 55 52.124 -21.024 4.358 1.00 43.03 C ATOM 819 CG PHE A 55 52.270 -21.920 5.563 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.010 -21.435 6.835 1.00 43.53 C ATOM 821 CD2 PHE A 55 52.659 -23.241 5.426 1.00 13.12 C ATOM 822 CE1 PHE A 55 52.136 -22.248 7.943 1.00 44.21 C ATOM 823 CE2 PHE A 55 52.787 -24.060 6.530 1.00 72.04 C ATOM 824 CZ PHE A 55 52.526 -23.564 7.790 1.00 42.14 C ATOM 0 H PHE A 55 52.152 -19.363 2.544 1.00 3.44 H new ATOM 0 HA PHE A 55 53.628 -19.614 4.945 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.270 -20.365 4.514 1.00 43.03 H new ATOM 0 HB3 PHE A 55 51.896 -21.641 3.489 1.00 43.03 H new ATOM 0 HD1 PHE A 55 51.705 -20.407 6.961 1.00 43.53 H new ATOM 0 HD2 PHE A 55 52.865 -23.636 4.442 1.00 13.12 H new ATOM 0 HE1 PHE A 55 51.930 -21.856 8.928 1.00 44.21 H new ATOM 0 HE2 PHE A 55 53.091 -25.089 6.407 1.00 72.04 H new ATOM 0 HZ PHE A 55 52.626 -24.203 8.655 1.00 42.14 H new ATOM 834 N TYR A 56 54.461 -21.747 2.566 1.00 63.30 N ATOM 835 CA TYR A 56 55.481 -22.703 2.172 1.00 1.22 C ATOM 836 C TYR A 56 56.720 -22.069 1.552 1.00 62.54 C ATOM 837 O TYR A 56 57.835 -22.523 1.804 1.00 21.03 O ATOM 838 CB TYR A 56 54.914 -23.746 1.229 1.00 51.34 C ATOM 839 CG TYR A 56 53.811 -24.575 1.824 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.054 -25.405 2.903 1.00 33.42 C ATOM 841 CD2 TYR A 56 52.525 -24.510 1.320 1.00 1.33 C ATOM 842 CE1 TYR A 56 53.040 -26.152 3.465 1.00 32.12 C ATOM 843 CE2 TYR A 56 51.503 -25.251 1.875 1.00 50.53 C ATOM 844 CZ TYR A 56 51.766 -26.073 2.948 1.00 61.21 C ATOM 845 OH TYR A 56 50.747 -26.823 3.507 1.00 44.45 O ATOM 0 H TYR A 56 53.668 -21.688 1.927 1.00 63.30 H new ATOM 0 HA TYR A 56 55.803 -23.176 3.100 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.538 -23.247 0.336 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.719 -24.407 0.909 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.052 -25.469 3.311 1.00 33.42 H new ATOM 0 HD2 TYR A 56 52.317 -23.868 0.477 1.00 1.33 H new ATOM 0 HE1 TYR A 56 53.244 -26.796 4.307 1.00 32.12 H new ATOM 0 HE2 TYR A 56 50.503 -25.187 1.471 1.00 50.53 H new ATOM 0 HH TYR A 56 49.911 -26.650 3.025 1.00 44.45 H new ATOM 855 N LEU A 57 56.544 -21.023 0.766 1.00 33.41 N ATOM 856 CA LEU A 57 57.662 -20.405 0.082 1.00 40.31 C ATOM 857 C LEU A 57 58.569 -19.752 1.120 1.00 40.54 C ATOM 858 O LEU A 57 59.796 -19.828 1.032 1.00 5.14 O ATOM 859 CB LEU A 57 57.176 -19.406 -1.014 1.00 53.03 C ATOM 860 CG LEU A 57 58.153 -19.100 -2.181 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.461 -18.326 -3.280 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.375 -18.335 -1.736 1.00 3.30 C ATOM 0 H LEU A 57 55.640 -20.586 0.586 1.00 33.41 H new ATOM 0 HA LEU A 57 58.238 -21.162 -0.449 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.252 -19.797 -1.441 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.928 -18.464 -0.526 1.00 53.03 H new ATOM 0 HG LEU A 57 58.480 -20.069 -2.558 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.168 -18.125 -4.085 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.627 -18.911 -3.668 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.088 -17.383 -2.881 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.021 -18.150 -2.594 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.070 -17.384 -1.300 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.918 -18.918 -0.992 1.00 3.30 H new ATOM 874 N GLY A 58 57.944 -19.194 2.148 1.00 34.05 N ATOM 875 CA GLY A 58 58.682 -18.581 3.230 1.00 74.30 C ATOM 876 C GLY A 58 59.506 -19.596 3.977 1.00 10.41 C ATOM 877 O GLY A 58 60.636 -19.295 4.392 1.00 32.52 O ATOM 0 H GLY A 58 56.930 -19.156 2.250 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.333 -17.802 2.833 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.988 -18.097 3.917 1.00 74.30 H new ATOM 881 N GLN A 59 58.952 -20.821 4.125 1.00 63.23 N ATOM 882 CA GLN A 59 59.670 -21.909 4.787 1.00 64.13 C ATOM 883 C GLN A 59 60.967 -22.158 4.059 1.00 12.12 C ATOM 884 O GLN A 59 62.024 -22.200 4.660 1.00 60.00 O ATOM 885 CB GLN A 59 58.877 -23.225 4.766 1.00 61.45 C ATOM 886 CG GLN A 59 57.460 -23.142 5.274 1.00 71.21 C ATOM 887 CD GLN A 59 57.350 -22.633 6.682 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.241 -22.829 7.516 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.287 -21.948 6.946 1.00 73.55 N ATOM 0 H GLN A 59 58.019 -21.069 3.795 1.00 63.23 H new ATOM 0 HA GLN A 59 59.830 -21.607 5.822 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.855 -23.598 3.742 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.415 -23.962 5.363 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.886 -22.490 4.616 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.006 -24.131 5.219 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.577 -21.811 6.227 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.158 -21.544 7.874 1.00 73.55 H new ATOM 898 N TYR A 60 60.861 -22.262 2.741 1.00 52.35 N ATOM 899 CA TYR A 60 61.972 -22.596 1.868 1.00 12.25 C ATOM 900 C TYR A 60 63.122 -21.600 1.971 1.00 54.12 C ATOM 901 O TYR A 60 64.288 -21.998 2.104 1.00 53.15 O ATOM 902 CB TYR A 60 61.487 -22.699 0.422 1.00 33.44 C ATOM 903 CG TYR A 60 62.547 -23.144 -0.553 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.050 -24.434 -0.506 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.028 -22.286 -1.537 1.00 22.44 C ATOM 906 CE1 TYR A 60 64.000 -24.862 -1.403 1.00 41.23 C ATOM 907 CE2 TYR A 60 63.984 -22.707 -2.440 1.00 63.13 C ATOM 908 CZ TYR A 60 64.466 -23.998 -2.367 1.00 64.01 C ATOM 909 OH TYR A 60 65.407 -24.437 -3.276 1.00 62.05 O ATOM 0 H TYR A 60 59.984 -22.113 2.242 1.00 52.35 H new ATOM 0 HA TYR A 60 62.360 -23.560 2.196 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.652 -23.399 0.379 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.105 -21.728 0.108 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.689 -25.116 0.249 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.648 -21.277 -1.595 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.379 -25.872 -1.351 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.352 -22.031 -3.198 1.00 63.13 H new ATOM 0 HH TYR A 60 65.644 -23.704 -3.881 1.00 62.05 H new ATOM 919 N ILE A 61 62.793 -20.324 1.967 1.00 22.33 N ATOM 920 CA ILE A 61 63.806 -19.280 1.965 1.00 54.32 C ATOM 921 C ILE A 61 64.540 -19.302 3.291 1.00 22.41 C ATOM 922 O ILE A 61 65.779 -19.171 3.343 1.00 45.34 O ATOM 923 CB ILE A 61 63.199 -17.867 1.767 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.230 -17.848 0.590 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.318 -16.849 1.499 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.546 -16.511 0.378 1.00 12.42 C ATOM 0 H ILE A 61 61.832 -19.982 1.965 1.00 22.33 H new ATOM 0 HA ILE A 61 64.479 -19.480 1.131 1.00 54.32 H new ATOM 0 HB ILE A 61 62.660 -17.604 2.678 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.771 -18.116 -0.318 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.470 -18.613 0.746 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.884 -15.859 1.361 1.00 71.24 H new ATOM 0 HG22 ILE A 61 65.003 -16.830 2.347 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.862 -17.135 0.599 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.873 -16.578 -0.477 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.976 -16.249 1.269 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.297 -15.744 0.189 1.00 12.42 H new ATOM 938 N MET A 62 63.779 -19.508 4.357 1.00 72.44 N ATOM 939 CA MET A 62 64.347 -19.546 5.681 1.00 41.23 C ATOM 940 C MET A 62 65.114 -20.804 5.955 1.00 61.21 C ATOM 941 O MET A 62 66.213 -20.748 6.451 1.00 12.42 O ATOM 942 CB MET A 62 63.316 -19.361 6.777 1.00 32.32 C ATOM 943 CG MET A 62 62.829 -17.951 6.944 1.00 13.52 C ATOM 944 SD MET A 62 64.179 -16.778 7.275 1.00 44.31 S ATOM 945 CE MET A 62 64.921 -17.465 8.760 1.00 63.31 C ATOM 0 H MET A 62 62.770 -19.650 4.323 1.00 72.44 H new ATOM 0 HA MET A 62 65.035 -18.701 5.697 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.462 -20.004 6.567 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.744 -19.698 7.721 1.00 32.32 H new ATOM 0 HG2 MET A 62 62.300 -17.644 6.042 1.00 13.52 H new ATOM 0 HG3 MET A 62 62.111 -17.913 7.763 1.00 13.52 H new ATOM 0 HE1 MET A 62 65.586 -16.727 9.209 1.00 63.31 H new ATOM 0 HE2 MET A 62 64.137 -17.727 9.471 1.00 63.31 H new ATOM 0 HE3 MET A 62 65.490 -18.358 8.503 1.00 63.31 H new ATOM 955 N THR A 63 64.539 -21.927 5.617 1.00 24.30 N ATOM 956 CA THR A 63 65.123 -23.208 5.963 1.00 13.21 C ATOM 957 C THR A 63 66.456 -23.447 5.239 1.00 64.20 C ATOM 958 O THR A 63 67.377 -24.031 5.802 1.00 74.44 O ATOM 959 CB THR A 63 64.127 -24.396 5.739 1.00 32.20 C ATOM 960 OG1 THR A 63 64.633 -25.589 6.343 1.00 73.21 O ATOM 961 CG2 THR A 63 63.883 -24.658 4.258 1.00 71.34 C ATOM 0 H THR A 63 63.662 -21.987 5.100 1.00 24.30 H new ATOM 0 HA THR A 63 65.337 -23.170 7.031 1.00 13.21 H new ATOM 0 HB THR A 63 63.182 -24.113 6.202 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.000 -26.323 6.197 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.187 -25.489 4.145 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.461 -23.766 3.795 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.827 -24.907 3.772 1.00 71.34 H new ATOM 969 N LYS A 64 66.576 -22.950 4.025 1.00 74.50 N ATOM 970 CA LYS A 64 67.798 -23.148 3.263 1.00 35.22 C ATOM 971 C LYS A 64 68.769 -22.024 3.522 1.00 24.12 C ATOM 972 O LYS A 64 69.978 -22.185 3.335 1.00 50.03 O ATOM 973 CB LYS A 64 67.496 -23.239 1.781 1.00 41.22 C ATOM 974 CG LYS A 64 66.535 -24.340 1.404 1.00 22.42 C ATOM 975 CD LYS A 64 67.093 -25.713 1.727 1.00 13.51 C ATOM 976 CE LYS A 64 66.104 -26.814 1.388 1.00 12.10 C ATOM 977 NZ LYS A 64 66.623 -28.143 1.763 1.00 42.24 N ATOM 0 H LYS A 64 65.853 -22.412 3.547 1.00 74.50 H new ATOM 0 HA LYS A 64 68.250 -24.086 3.585 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.085 -22.286 1.448 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.431 -23.390 1.241 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.593 -24.197 1.934 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.314 -24.280 0.338 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.017 -25.870 1.171 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.345 -25.764 2.786 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.163 -26.631 1.906 1.00 12.10 H new ATOM 0 HE3 LYS A 64 65.889 -26.795 0.320 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 65.922 -28.871 1.517 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 67.508 -28.327 1.250 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 66.805 -28.169 2.787 1.00 42.24 H new ATOM 991 N ARG A 65 68.227 -20.900 3.967 1.00 62.41 N ATOM 992 CA ARG A 65 69.002 -19.687 4.271 1.00 10.24 C ATOM 993 C ARG A 65 69.470 -18.939 3.036 1.00 55.32 C ATOM 994 O ARG A 65 70.652 -18.938 2.697 1.00 33.21 O ATOM 995 CB ARG A 65 70.161 -19.862 5.283 1.00 10.13 C ATOM 996 CG ARG A 65 69.761 -19.947 6.749 1.00 12.01 C ATOM 997 CD ARG A 65 69.112 -21.264 7.128 1.00 0.21 C ATOM 998 NE ARG A 65 68.673 -21.234 8.525 1.00 35.32 N ATOM 999 CZ ARG A 65 67.974 -22.175 9.158 1.00 62.31 C ATOM 1000 NH1 ARG A 65 67.634 -23.305 8.538 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.610 -21.970 10.420 1.00 23.34 N ATOM 0 H ARG A 65 67.226 -20.794 4.132 1.00 62.41 H new ATOM 0 HA ARG A 65 68.264 -19.068 4.782 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.709 -20.768 5.024 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.851 -19.026 5.163 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.646 -19.797 7.367 1.00 12.01 H new ATOM 0 HG3 ARG A 65 69.072 -19.134 6.976 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.260 -21.457 6.477 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.818 -22.081 6.980 1.00 0.21 H new ATOM 0 HE ARG A 65 68.928 -20.409 9.068 1.00 35.32 H new ATOM 0 HH11 ARG A 65 67.909 -23.457 7.568 1.00 53.35 H new ATOM 0 HH12 ARG A 65 67.099 -24.018 9.034 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.866 -21.102 10.890 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.075 -22.681 10.918 1.00 23.34 H new ATOM 1015 N LEU A 66 68.527 -18.371 2.321 1.00 53.51 N ATOM 1016 CA LEU A 66 68.851 -17.544 1.156 1.00 71.15 C ATOM 1017 C LEU A 66 68.717 -16.073 1.528 1.00 32.04 C ATOM 1018 O LEU A 66 68.673 -15.191 0.659 1.00 73.22 O ATOM 1019 CB LEU A 66 67.920 -17.836 -0.045 1.00 33.23 C ATOM 1020 CG LEU A 66 67.967 -19.235 -0.700 1.00 74.22 C ATOM 1021 CD1 LEU A 66 69.389 -19.695 -0.979 1.00 34.12 C ATOM 1022 CD2 LEU A 66 67.192 -20.257 0.095 1.00 42.44 C ATOM 0 H LEU A 66 67.530 -18.459 2.515 1.00 53.51 H new ATOM 0 HA LEU A 66 69.873 -17.782 0.861 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.895 -17.658 0.281 1.00 33.23 H new ATOM 0 HB3 LEU A 66 68.140 -17.101 -0.820 1.00 33.23 H new ATOM 0 HG LEU A 66 67.474 -19.141 -1.667 1.00 74.22 H new ATOM 0 HD11 LEU A 66 69.368 -20.683 -1.439 1.00 34.12 H new ATOM 0 HD12 LEU A 66 69.873 -18.990 -1.655 1.00 34.12 H new ATOM 0 HD13 LEU A 66 69.946 -19.742 -0.043 1.00 34.12 H new ATOM 0 HD21 LEU A 66 67.252 -21.226 -0.401 1.00 42.44 H new ATOM 0 HD22 LEU A 66 67.615 -20.336 1.097 1.00 42.44 H new ATOM 0 HD23 LEU A 66 66.149 -19.949 0.165 1.00 42.44 H new ATOM 1034 N TYR A 67 68.675 -15.821 2.806 1.00 50.33 N ATOM 1035 CA TYR A 67 68.411 -14.504 3.336 1.00 63.44 C ATOM 1036 C TYR A 67 69.663 -13.807 3.818 1.00 41.21 C ATOM 1037 O TYR A 67 70.671 -14.459 4.100 1.00 0.14 O ATOM 1038 CB TYR A 67 67.435 -14.620 4.491 1.00 32.51 C ATOM 1039 CG TYR A 67 66.311 -13.702 4.305 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.379 -12.398 4.731 1.00 24.21 C ATOM 1041 CD2 TYR A 67 65.203 -14.117 3.628 1.00 64.31 C ATOM 1042 CE1 TYR A 67 65.364 -11.534 4.470 1.00 3.00 C ATOM 1043 CE2 TYR A 67 64.183 -13.272 3.380 1.00 44.51 C ATOM 1044 CZ TYR A 67 64.266 -11.978 3.794 1.00 62.24 C ATOM 1045 OH TYR A 67 63.260 -11.113 3.497 1.00 52.04 O ATOM 0 H TYR A 67 68.825 -16.531 3.523 1.00 50.33 H new ATOM 0 HA TYR A 67 67.994 -13.905 2.526 1.00 63.44 H new ATOM 0 HB2 TYR A 67 67.068 -15.644 4.564 1.00 32.51 H new ATOM 0 HB3 TYR A 67 67.944 -14.396 5.429 1.00 32.51 H new ATOM 0 HD1 TYR A 67 67.246 -12.057 5.278 1.00 24.21 H new ATOM 0 HD2 TYR A 67 65.142 -15.139 3.285 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.426 -10.506 4.795 1.00 3.00 H new ATOM 0 HE2 TYR A 67 63.305 -13.619 2.856 1.00 44.51 H new ATOM 0 HH TYR A 67 62.405 -11.494 3.786 1.00 52.04 H new ATOM 1055 N ASP A 68 69.599 -12.473 3.904 1.00 63.44 N ATOM 1056 CA ASP A 68 70.695 -11.693 4.479 1.00 21.32 C ATOM 1057 C ASP A 68 70.722 -11.931 5.980 1.00 52.35 C ATOM 1058 O ASP A 68 69.676 -12.184 6.606 1.00 13.34 O ATOM 1059 CB ASP A 68 70.536 -10.179 4.203 1.00 1.00 C ATOM 1060 CG ASP A 68 71.728 -9.348 4.684 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.765 -8.985 5.843 1.00 62.33 O ATOM 1062 OD2 ASP A 68 72.643 -9.035 3.886 1.00 24.12 O ATOM 0 H ASP A 68 68.806 -11.917 3.585 1.00 63.44 H new ATOM 0 HA ASP A 68 71.627 -12.016 4.014 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.402 -10.024 3.132 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.631 -9.820 4.693 1.00 1.00 H new ATOM 1067 N GLU A 69 71.888 -11.867 6.544 1.00 63.22 N ATOM 1068 CA GLU A 69 72.087 -12.100 7.956 1.00 62.14 C ATOM 1069 C GLU A 69 71.541 -10.965 8.855 1.00 64.00 C ATOM 1070 O GLU A 69 71.151 -11.218 10.014 1.00 30.11 O ATOM 1071 CB GLU A 69 73.558 -12.384 8.241 1.00 42.41 C ATOM 1072 CG GLU A 69 74.502 -11.447 7.519 1.00 61.33 C ATOM 1073 CD GLU A 69 75.926 -11.619 7.934 1.00 74.11 C ATOM 1074 OE1 GLU A 69 76.583 -12.550 7.466 1.00 24.54 O ATOM 1075 OE2 GLU A 69 76.425 -10.798 8.725 1.00 52.31 O ATOM 0 H GLU A 69 72.746 -11.649 6.037 1.00 63.22 H new ATOM 0 HA GLU A 69 71.498 -12.980 8.216 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.734 -12.309 9.314 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.785 -13.410 7.952 1.00 42.41 H new ATOM 0 HG2 GLU A 69 74.420 -11.614 6.445 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.197 -10.417 7.706 1.00 61.33 H new ATOM 1082 N LYS A 70 71.504 -9.744 8.354 1.00 21.31 N ATOM 1083 CA LYS A 70 71.017 -8.623 9.132 1.00 43.13 C ATOM 1084 C LYS A 70 69.796 -7.933 8.528 1.00 3.23 C ATOM 1085 O LYS A 70 68.965 -7.383 9.263 1.00 14.52 O ATOM 1086 CB LYS A 70 72.113 -7.592 9.411 1.00 51.11 C ATOM 1087 CG LYS A 70 73.057 -7.349 8.269 1.00 5.05 C ATOM 1088 CD LYS A 70 74.405 -7.914 8.618 1.00 31.00 C ATOM 1089 CE LYS A 70 75.402 -7.788 7.470 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.737 -8.314 7.835 1.00 33.03 N ATOM 0 H LYS A 70 71.806 -9.504 7.410 1.00 21.31 H new ATOM 0 HA LYS A 70 70.699 -9.066 10.076 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.642 -6.647 9.682 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.689 -7.921 10.276 1.00 51.11 H new ATOM 0 HG2 LYS A 70 72.677 -7.816 7.361 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.137 -6.281 8.068 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.797 -7.398 9.494 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.297 -8.964 8.889 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.025 -8.328 6.601 1.00 65.43 H new ATOM 0 HE3 LYS A 70 75.491 -6.741 7.181 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.249 -8.590 6.973 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 77.275 -7.578 8.336 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.626 -9.143 8.453 1.00 33.03 H new ATOM 1104 N GLN A 71 69.673 -7.967 7.218 1.00 50.03 N ATOM 1105 CA GLN A 71 68.584 -7.293 6.546 1.00 5.34 C ATOM 1106 C GLN A 71 67.416 -8.246 6.359 1.00 62.15 C ATOM 1107 O GLN A 71 67.435 -9.087 5.475 1.00 64.52 O ATOM 1108 CB GLN A 71 69.051 -6.771 5.194 1.00 3.32 C ATOM 1109 CG GLN A 71 70.283 -5.885 5.250 1.00 21.51 C ATOM 1110 CD GLN A 71 70.771 -5.485 3.872 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.375 -4.452 3.326 1.00 23.33 O ATOM 1112 NE2 GLN A 71 71.599 -6.300 3.281 1.00 3.50 N ATOM 0 H GLN A 71 70.317 -8.456 6.596 1.00 50.03 H new ATOM 0 HA GLN A 71 68.258 -6.452 7.158 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.260 -7.620 4.544 1.00 3.32 H new ATOM 0 HB3 GLN A 71 68.237 -6.210 4.735 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.056 -4.988 5.826 1.00 21.51 H new ATOM 0 HG3 GLN A 71 71.080 -6.409 5.777 1.00 21.51 H new ATOM 0 HE21 GLN A 71 71.909 -7.147 3.758 1.00 3.50 H new ATOM 0 HE22 GLN A 71 71.937 -6.091 2.342 1.00 3.50 H new ATOM 1121 N GLN A 72 66.398 -8.100 7.184 1.00 33.03 N ATOM 1122 CA GLN A 72 65.237 -8.997 7.153 1.00 64.41 C ATOM 1123 C GLN A 72 64.302 -8.775 5.959 1.00 73.12 C ATOM 1124 O GLN A 72 63.362 -9.507 5.778 1.00 1.14 O ATOM 1125 CB GLN A 72 64.467 -9.068 8.502 1.00 2.34 C ATOM 1126 CG GLN A 72 63.880 -7.764 9.068 1.00 64.34 C ATOM 1127 CD GLN A 72 64.924 -6.728 9.434 1.00 20.23 C ATOM 1128 OE1 GLN A 72 65.456 -6.746 10.521 1.00 21.44 O ATOM 1129 NE2 GLN A 72 65.143 -5.774 8.575 1.00 52.04 N ATOM 0 H GLN A 72 66.342 -7.367 7.891 1.00 33.03 H new ATOM 0 HA GLN A 72 65.673 -9.984 7.001 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.649 -9.778 8.382 1.00 2.34 H new ATOM 0 HB3 GLN A 72 65.142 -9.483 9.250 1.00 2.34 H new ATOM 0 HG2 GLN A 72 63.199 -7.335 8.333 1.00 64.34 H new ATOM 0 HG3 GLN A 72 63.288 -7.998 9.953 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.678 -5.789 7.667 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.779 -5.012 8.810 1.00 52.04 H new ATOM 1138 N HIS A 73 64.502 -7.711 5.212 1.00 20.12 N ATOM 1139 CA HIS A 73 63.789 -7.569 3.927 1.00 23.35 C ATOM 1140 C HIS A 73 64.592 -8.077 2.719 1.00 72.14 C ATOM 1141 O HIS A 73 64.019 -8.386 1.677 1.00 10.11 O ATOM 1142 CB HIS A 73 63.317 -6.127 3.659 1.00 41.31 C ATOM 1143 CG HIS A 73 64.418 -5.069 3.617 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.692 -4.283 2.517 1.00 32.14 N ATOM 1145 CD2 HIS A 73 65.285 -4.661 4.572 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.669 -3.454 2.795 1.00 3.33 C ATOM 1147 NE2 HIS A 73 66.048 -3.664 4.036 1.00 73.14 N ATOM 0 H HIS A 73 65.130 -6.943 5.448 1.00 20.12 H new ATOM 0 HA HIS A 73 62.913 -8.207 4.039 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.784 -6.109 2.708 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.600 -5.849 4.432 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.360 -5.053 5.576 1.00 65.33 H new ATOM 0 HE1 HIS A 73 66.090 -2.724 2.120 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.792 -3.163 4.521 1.00 73.14 H new ATOM 1155 N ILE A 74 65.886 -8.127 2.864 1.00 50.14 N ATOM 1156 CA ILE A 74 66.781 -8.489 1.759 1.00 22.31 C ATOM 1157 C ILE A 74 67.007 -9.996 1.614 1.00 55.40 C ATOM 1158 O ILE A 74 67.634 -10.638 2.458 1.00 73.00 O ATOM 1159 CB ILE A 74 68.137 -7.732 1.847 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.929 -6.213 1.711 1.00 41.50 C ATOM 1161 CG2 ILE A 74 69.141 -8.229 0.815 1.00 3.51 C ATOM 1162 CD1 ILE A 74 67.312 -5.775 0.394 1.00 73.44 C ATOM 0 H ILE A 74 66.366 -7.922 3.740 1.00 50.14 H new ATOM 0 HA ILE A 74 66.263 -8.171 0.854 1.00 22.31 H new ATOM 0 HB ILE A 74 68.554 -7.940 2.832 1.00 31.00 H new ATOM 0 HG12 ILE A 74 67.292 -5.872 2.527 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.892 -5.716 1.829 1.00 41.50 H new ATOM 0 HG21 ILE A 74 70.072 -7.671 0.915 1.00 3.51 H new ATOM 0 HG22 ILE A 74 69.334 -9.289 0.977 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.736 -8.083 -0.186 1.00 3.51 H new ATOM 0 HD11 ILE A 74 67.202 -4.691 0.386 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.957 -6.080 -0.430 1.00 73.44 H new ATOM 0 HD13 ILE A 74 66.333 -6.239 0.279 1.00 73.44 H new ATOM 1174 N VAL A 75 66.492 -10.543 0.541 1.00 45.43 N ATOM 1175 CA VAL A 75 66.693 -11.925 0.206 1.00 24.42 C ATOM 1176 C VAL A 75 67.689 -11.950 -0.910 1.00 52.54 C ATOM 1177 O VAL A 75 67.624 -11.113 -1.814 1.00 42.31 O ATOM 1178 CB VAL A 75 65.423 -12.577 -0.363 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.532 -14.089 -0.358 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.179 -12.099 0.328 1.00 11.12 C ATOM 0 H VAL A 75 65.916 -10.034 -0.129 1.00 45.43 H new ATOM 0 HA VAL A 75 67.000 -12.457 1.107 1.00 24.42 H new ATOM 0 HB VAL A 75 65.336 -12.260 -1.402 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.618 -14.521 -0.766 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.382 -14.395 -0.968 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.674 -14.440 0.664 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.309 -12.588 -0.110 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.236 -12.341 1.389 1.00 11.12 H new ATOM 0 HG23 VAL A 75 64.087 -11.020 0.207 1.00 11.12 H new ATOM 1190 N TYR A 76 68.579 -12.869 -0.880 1.00 5.33 N ATOM 1191 CA TYR A 76 69.515 -12.989 -1.941 1.00 2.23 C ATOM 1192 C TYR A 76 69.087 -14.061 -2.882 1.00 20.23 C ATOM 1193 O TYR A 76 68.753 -13.771 -4.017 1.00 22.13 O ATOM 1194 CB TYR A 76 70.934 -13.197 -1.434 1.00 71.42 C ATOM 1195 CG TYR A 76 71.452 -11.992 -0.712 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.713 -10.825 -1.407 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.646 -11.996 0.655 1.00 34.51 C ATOM 1198 CE1 TYR A 76 72.161 -9.698 -0.767 1.00 3.12 C ATOM 1199 CE2 TYR A 76 72.086 -10.871 1.302 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.342 -9.723 0.591 1.00 44.23 C ATOM 1201 OH TYR A 76 72.780 -8.591 1.249 1.00 11.02 O ATOM 0 H TYR A 76 68.683 -13.554 -0.131 1.00 5.33 H new ATOM 0 HA TYR A 76 69.532 -12.047 -2.489 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.958 -14.058 -0.766 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.590 -13.426 -2.274 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.561 -10.801 -2.476 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.449 -12.895 1.220 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.369 -8.799 -1.328 1.00 3.12 H new ATOM 0 HE2 TYR A 76 72.232 -10.886 2.372 1.00 53.13 H new ATOM 0 HH TYR A 76 72.501 -8.630 2.188 1.00 11.02 H new ATOM 1211 N CYS A 77 69.039 -15.306 -2.387 1.00 54.53 N ATOM 1212 CA CYS A 77 68.666 -16.501 -3.190 1.00 52.14 C ATOM 1213 C CYS A 77 69.427 -16.570 -4.520 1.00 4.33 C ATOM 1214 O CYS A 77 68.963 -17.155 -5.493 1.00 62.20 O ATOM 1215 CB CYS A 77 67.120 -16.643 -3.368 1.00 61.41 C ATOM 1216 SG CYS A 77 66.248 -15.184 -3.959 1.00 54.33 S ATOM 0 H CYS A 77 69.257 -15.524 -1.415 1.00 54.53 H new ATOM 0 HA CYS A 77 68.982 -17.371 -2.615 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.929 -17.461 -4.063 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.690 -16.933 -2.409 1.00 61.41 H new ATOM 0 HG CYS A 77 67.109 -14.269 -4.292 1.00 54.33 H new ATOM 1222 N SER A 78 70.646 -16.060 -4.490 1.00 74.53 N ATOM 1223 CA SER A 78 71.511 -15.977 -5.641 1.00 1.24 C ATOM 1224 C SER A 78 72.047 -17.362 -5.975 1.00 20.30 C ATOM 1225 O SER A 78 72.377 -17.662 -7.119 1.00 21.43 O ATOM 1226 CB SER A 78 72.659 -14.999 -5.326 1.00 41.00 C ATOM 1227 OG SER A 78 73.569 -14.851 -6.402 1.00 62.31 O ATOM 0 H SER A 78 71.067 -15.684 -3.640 1.00 74.53 H new ATOM 0 HA SER A 78 70.961 -15.609 -6.507 1.00 1.24 H new ATOM 0 HB2 SER A 78 72.240 -14.025 -5.074 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.198 -15.351 -4.447 1.00 41.00 H new ATOM 0 HG SER A 78 74.275 -14.220 -6.149 1.00 62.31 H new ATOM 1233 N ASN A 79 72.103 -18.207 -4.967 1.00 41.54 N ATOM 1234 CA ASN A 79 72.563 -19.586 -5.124 1.00 73.42 C ATOM 1235 C ASN A 79 71.389 -20.494 -5.438 1.00 0.00 C ATOM 1236 O ASN A 79 71.549 -21.704 -5.635 1.00 53.23 O ATOM 1237 CB ASN A 79 73.278 -20.084 -3.849 1.00 72.51 C ATOM 1238 CG ASN A 79 74.677 -19.505 -3.615 1.00 60.42 C ATOM 1239 OD1 ASN A 79 75.515 -20.148 -2.983 1.00 34.51 O ATOM 1240 ND2 ASN A 79 74.951 -18.333 -4.131 1.00 12.14 N ATOM 0 H ASN A 79 71.833 -17.965 -4.014 1.00 41.54 H new ATOM 0 HA ASN A 79 73.274 -19.611 -5.950 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.655 -19.846 -2.987 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.355 -21.170 -3.896 1.00 72.51 H new ATOM 0 HD21 ASN A 79 75.880 -17.929 -4.014 1.00 12.14 H new ATOM 0 HD22 ASN A 79 74.235 -17.824 -4.650 1.00 12.14 H new ATOM 1247 N ASP A 80 70.218 -19.909 -5.513 1.00 63.10 N ATOM 1248 CA ASP A 80 69.010 -20.658 -5.755 1.00 44.31 C ATOM 1249 C ASP A 80 68.400 -20.174 -7.068 1.00 54.24 C ATOM 1250 O ASP A 80 68.941 -19.262 -7.709 1.00 62.42 O ATOM 1251 CB ASP A 80 68.027 -20.480 -4.573 1.00 54.35 C ATOM 1252 CG ASP A 80 66.871 -21.459 -4.611 1.00 4.01 C ATOM 1253 OD1 ASP A 80 67.003 -22.559 -4.052 1.00 31.11 O ATOM 1254 OD2 ASP A 80 65.840 -21.159 -5.241 1.00 51.55 O ATOM 0 H ASP A 80 70.076 -18.904 -5.408 1.00 63.10 H new ATOM 0 HA ASP A 80 69.230 -21.723 -5.835 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.569 -20.603 -3.635 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.635 -19.463 -4.584 1.00 54.35 H new ATOM 1259 N LEU A 81 67.319 -20.763 -7.470 1.00 71.31 N ATOM 1260 CA LEU A 81 66.679 -20.424 -8.700 1.00 11.32 C ATOM 1261 C LEU A 81 65.610 -19.353 -8.425 1.00 12.11 C ATOM 1262 O LEU A 81 65.299 -18.573 -9.293 1.00 75.03 O ATOM 1263 CB LEU A 81 66.080 -21.711 -9.331 1.00 25.11 C ATOM 1264 CG LEU A 81 65.795 -21.726 -10.860 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.662 -20.815 -11.255 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.048 -21.367 -11.634 1.00 21.25 C ATOM 0 H LEU A 81 66.850 -21.502 -6.946 1.00 71.31 H new ATOM 0 HA LEU A 81 67.390 -20.008 -9.414 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.760 -22.534 -9.113 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.143 -21.927 -8.817 1.00 25.11 H new ATOM 0 HG LEU A 81 65.488 -22.741 -11.111 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.511 -20.869 -12.333 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.750 -21.126 -10.745 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.904 -19.790 -10.973 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.832 -21.382 -12.702 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.381 -20.370 -11.345 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.833 -22.090 -11.412 1.00 21.25 H new ATOM 1278 N LEU A 82 65.110 -19.314 -7.185 1.00 22.23 N ATOM 1279 CA LEU A 82 64.043 -18.400 -6.734 1.00 31.14 C ATOM 1280 C LEU A 82 64.201 -16.947 -7.244 1.00 51.53 C ATOM 1281 O LEU A 82 63.373 -16.459 -8.042 1.00 75.13 O ATOM 1282 CB LEU A 82 63.985 -18.436 -5.197 1.00 51.31 C ATOM 1283 CG LEU A 82 63.105 -17.399 -4.508 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.660 -17.506 -4.965 1.00 51.52 C ATOM 1285 CD2 LEU A 82 63.213 -17.531 -2.997 1.00 64.25 C ATOM 0 H LEU A 82 65.442 -19.932 -6.444 1.00 22.23 H new ATOM 0 HA LEU A 82 63.106 -18.752 -7.167 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.641 -19.425 -4.895 1.00 51.31 H new ATOM 0 HB3 LEU A 82 65.001 -18.323 -4.818 1.00 51.31 H new ATOM 0 HG LEU A 82 63.463 -16.410 -4.793 1.00 44.45 H new ATOM 0 HD11 LEU A 82 61.060 -16.753 -4.454 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.606 -17.344 -6.042 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.276 -18.498 -4.727 1.00 51.52 H new ATOM 0 HD21 LEU A 82 62.579 -16.784 -2.520 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.890 -18.527 -2.695 1.00 64.25 H new ATOM 0 HD23 LEU A 82 64.248 -17.377 -2.691 1.00 64.25 H new ATOM 1297 N GLY A 83 65.250 -16.284 -6.808 1.00 33.33 N ATOM 1298 CA GLY A 83 65.469 -14.913 -7.205 1.00 13.41 C ATOM 1299 C GLY A 83 65.765 -14.815 -8.663 1.00 23.02 C ATOM 1300 O GLY A 83 65.230 -13.932 -9.367 1.00 63.21 O ATOM 0 H GLY A 83 65.959 -16.669 -6.184 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.587 -14.318 -6.970 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.298 -14.494 -6.634 1.00 13.41 H new ATOM 1304 N ASP A 84 66.564 -15.767 -9.138 1.00 74.23 N ATOM 1305 CA ASP A 84 66.976 -15.818 -10.529 1.00 72.30 C ATOM 1306 C ASP A 84 65.768 -15.766 -11.428 1.00 60.45 C ATOM 1307 O ASP A 84 65.697 -14.902 -12.280 1.00 21.25 O ATOM 1308 CB ASP A 84 67.795 -17.077 -10.821 1.00 32.43 C ATOM 1309 CG ASP A 84 68.264 -17.150 -12.261 1.00 23.04 C ATOM 1310 OD1 ASP A 84 69.329 -16.582 -12.578 1.00 34.12 O ATOM 1311 OD2 ASP A 84 67.590 -17.798 -13.102 1.00 12.11 O ATOM 0 H ASP A 84 66.941 -16.522 -8.566 1.00 74.23 H new ATOM 0 HA ASP A 84 67.609 -14.952 -10.725 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.661 -17.103 -10.160 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.194 -17.957 -10.594 1.00 32.43 H new ATOM 1316 N LEU A 85 64.783 -16.623 -11.105 1.00 51.32 N ATOM 1317 CA LEU A 85 63.519 -16.827 -11.795 1.00 55.15 C ATOM 1318 C LEU A 85 62.752 -15.531 -11.964 1.00 45.10 C ATOM 1319 O LEU A 85 62.243 -15.239 -13.049 1.00 62.02 O ATOM 1320 CB LEU A 85 62.712 -17.776 -10.941 1.00 35.13 C ATOM 1321 CG LEU A 85 61.450 -18.347 -11.519 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.728 -19.128 -12.797 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.758 -19.222 -10.488 1.00 34.22 C ATOM 0 H LEU A 85 64.867 -17.232 -10.291 1.00 51.32 H new ATOM 0 HA LEU A 85 63.703 -17.222 -12.794 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.359 -18.609 -10.665 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.451 -17.256 -10.019 1.00 35.13 H new ATOM 0 HG LEU A 85 60.788 -17.521 -11.781 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.793 -19.528 -13.190 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.179 -18.467 -13.537 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.411 -19.949 -12.580 1.00 14.13 H new ATOM 0 HD21 LEU A 85 59.843 -19.633 -10.915 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.421 -20.037 -10.199 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.513 -18.625 -9.610 1.00 34.22 H new ATOM 1335 N PHE A 86 62.676 -14.746 -10.887 1.00 13.22 N ATOM 1336 CA PHE A 86 62.023 -13.417 -10.913 1.00 14.21 C ATOM 1337 C PHE A 86 62.730 -12.526 -11.918 1.00 25.43 C ATOM 1338 O PHE A 86 62.164 -11.589 -12.492 1.00 74.23 O ATOM 1339 CB PHE A 86 62.139 -12.792 -9.550 1.00 60.11 C ATOM 1340 CG PHE A 86 61.413 -11.469 -9.388 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.128 -11.285 -9.880 1.00 61.20 C ATOM 1342 CD2 PHE A 86 62.035 -10.406 -8.766 1.00 60.04 C ATOM 1343 CE1 PHE A 86 59.489 -10.068 -9.743 1.00 21.42 C ATOM 1344 CE2 PHE A 86 61.405 -9.191 -8.630 1.00 63.23 C ATOM 1345 CZ PHE A 86 60.133 -9.022 -9.117 1.00 2.54 C ATOM 0 H PHE A 86 63.058 -15.002 -9.977 1.00 13.22 H new ATOM 0 HA PHE A 86 60.975 -13.529 -11.192 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.753 -13.494 -8.811 1.00 60.11 H new ATOM 0 HB3 PHE A 86 63.195 -12.640 -9.325 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.623 -12.101 -10.375 1.00 61.20 H new ATOM 0 HD2 PHE A 86 63.035 -10.530 -8.379 1.00 60.04 H new ATOM 0 HE1 PHE A 86 58.488 -9.936 -10.125 1.00 21.42 H new ATOM 0 HE2 PHE A 86 61.910 -8.371 -8.141 1.00 63.23 H new ATOM 0 HZ PHE A 86 59.636 -8.069 -9.010 1.00 2.54 H new ATOM 1355 N GLY A 87 63.931 -12.876 -12.136 1.00 24.41 N ATOM 1356 CA GLY A 87 64.791 -12.189 -13.062 1.00 31.24 C ATOM 1357 C GLY A 87 65.712 -11.287 -12.338 1.00 3.13 C ATOM 1358 O GLY A 87 66.096 -10.221 -12.837 1.00 20.13 O ATOM 0 H GLY A 87 64.376 -13.668 -11.672 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.363 -12.913 -13.643 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.191 -11.616 -13.769 1.00 31.24 H new ATOM 1362 N VAL A 88 66.115 -11.717 -11.167 1.00 0.24 N ATOM 1363 CA VAL A 88 66.953 -10.886 -10.314 1.00 65.43 C ATOM 1364 C VAL A 88 68.028 -11.707 -9.626 1.00 62.04 C ATOM 1365 O VAL A 88 67.961 -12.921 -9.617 1.00 2.43 O ATOM 1366 CB VAL A 88 66.142 -10.101 -9.232 1.00 34.42 C ATOM 1367 CG1 VAL A 88 65.168 -9.111 -9.844 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.443 -11.033 -8.261 1.00 52.45 C ATOM 0 H VAL A 88 65.882 -12.631 -10.778 1.00 0.24 H new ATOM 0 HA VAL A 88 67.414 -10.158 -10.982 1.00 65.43 H new ATOM 0 HB VAL A 88 66.870 -9.522 -8.664 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.630 -8.592 -9.051 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.716 -8.386 -10.445 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.457 -9.643 -10.476 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.892 -10.446 -7.526 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.751 -11.674 -8.807 1.00 52.45 H new ATOM 0 HG23 VAL A 88 66.184 -11.649 -7.751 1.00 52.45 H new ATOM 1378 N PRO A 89 69.061 -11.053 -9.074 1.00 11.32 N ATOM 1379 CA PRO A 89 70.076 -11.739 -8.305 1.00 74.43 C ATOM 1380 C PRO A 89 69.742 -11.756 -6.802 1.00 61.01 C ATOM 1381 O PRO A 89 70.339 -12.504 -6.034 1.00 1.24 O ATOM 1382 CB PRO A 89 71.338 -10.903 -8.562 1.00 25.13 C ATOM 1383 CG PRO A 89 70.878 -9.598 -9.172 1.00 40.51 C ATOM 1384 CD PRO A 89 69.380 -9.622 -9.222 1.00 22.11 C ATOM 0 HA PRO A 89 70.176 -12.786 -8.593 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.881 -10.726 -7.633 1.00 25.13 H new ATOM 0 HB3 PRO A 89 72.018 -11.426 -9.234 1.00 25.13 H new ATOM 0 HG2 PRO A 89 71.227 -8.754 -8.578 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.292 -9.476 -10.173 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.941 -9.027 -8.421 1.00 22.11 H new ATOM 0 HD3 PRO A 89 69.002 -9.220 -10.162 1.00 22.11 H new ATOM 1392 N SER A 90 68.805 -10.893 -6.396 1.00 72.45 N ATOM 1393 CA SER A 90 68.364 -10.727 -5.014 1.00 0.12 C ATOM 1394 C SER A 90 67.027 -9.984 -5.054 1.00 72.25 C ATOM 1395 O SER A 90 66.792 -9.216 -6.004 1.00 42.34 O ATOM 1396 CB SER A 90 69.394 -9.885 -4.236 1.00 14.22 C ATOM 1397 OG SER A 90 70.703 -10.438 -4.350 1.00 32.43 O ATOM 0 H SER A 90 68.319 -10.273 -7.044 1.00 72.45 H new ATOM 0 HA SER A 90 68.262 -11.694 -4.521 1.00 0.12 H new ATOM 0 HB2 SER A 90 69.394 -8.863 -4.616 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.108 -9.835 -3.185 1.00 14.22 H new ATOM 0 HG SER A 90 70.638 -11.381 -4.609 1.00 32.43 H new ATOM 1403 N PHE A 91 66.174 -10.159 -4.062 1.00 22.52 N ATOM 1404 CA PHE A 91 64.868 -9.521 -4.092 1.00 23.10 C ATOM 1405 C PHE A 91 64.487 -9.068 -2.700 1.00 42.12 C ATOM 1406 O PHE A 91 65.001 -9.588 -1.709 1.00 74.32 O ATOM 1407 CB PHE A 91 63.773 -10.447 -4.706 1.00 64.21 C ATOM 1408 CG PHE A 91 63.125 -11.490 -3.791 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.695 -12.743 -3.561 1.00 4.31 C ATOM 1410 CD2 PHE A 91 61.892 -11.218 -3.216 1.00 11.25 C ATOM 1411 CE1 PHE A 91 63.041 -13.678 -2.778 1.00 61.22 C ATOM 1412 CE2 PHE A 91 61.252 -12.146 -2.429 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.822 -13.377 -2.212 1.00 72.40 C ATOM 0 H PHE A 91 66.356 -10.729 -3.236 1.00 22.52 H new ATOM 0 HA PHE A 91 64.934 -8.649 -4.743 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.981 -9.812 -5.103 1.00 64.21 H new ATOM 0 HB3 PHE A 91 64.215 -10.972 -5.553 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.653 -12.985 -3.997 1.00 4.31 H new ATOM 0 HD2 PHE A 91 61.426 -10.259 -3.390 1.00 11.25 H new ATOM 0 HE1 PHE A 91 63.488 -14.647 -2.610 1.00 61.22 H new ATOM 0 HE2 PHE A 91 60.299 -11.907 -1.980 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.315 -14.107 -1.599 1.00 72.40 H new ATOM 1423 N SER A 92 63.648 -8.087 -2.613 1.00 13.21 N ATOM 1424 CA SER A 92 63.194 -7.571 -1.358 1.00 63.42 C ATOM 1425 C SER A 92 61.710 -7.882 -1.129 1.00 12.35 C ATOM 1426 O SER A 92 60.878 -7.752 -2.037 1.00 65.40 O ATOM 1427 CB SER A 92 63.450 -6.088 -1.357 1.00 64.34 C ATOM 1428 OG SER A 92 63.079 -5.525 -2.614 1.00 72.34 O ATOM 0 H SER A 92 63.251 -7.613 -3.424 1.00 13.21 H new ATOM 0 HA SER A 92 63.735 -8.046 -0.539 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.883 -5.614 -0.556 1.00 64.34 H new ATOM 0 HB3 SER A 92 64.504 -5.893 -1.160 1.00 64.34 H new ATOM 0 HG SER A 92 63.248 -4.560 -2.603 1.00 72.34 H new ATOM 1434 N VAL A 93 61.397 -8.275 0.080 1.00 15.21 N ATOM 1435 CA VAL A 93 60.065 -8.731 0.449 1.00 44.32 C ATOM 1436 C VAL A 93 59.022 -7.629 0.752 1.00 70.53 C ATOM 1437 O VAL A 93 57.864 -7.948 1.038 1.00 62.34 O ATOM 1438 CB VAL A 93 60.163 -9.698 1.618 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.965 -10.899 1.183 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.822 -9.039 2.804 1.00 71.25 C ATOM 0 H VAL A 93 62.064 -8.290 0.852 1.00 15.21 H new ATOM 0 HA VAL A 93 59.681 -9.221 -0.446 1.00 44.32 H new ATOM 0 HB VAL A 93 59.161 -10.005 1.918 1.00 54.24 H new ATOM 0 HG11 VAL A 93 61.044 -11.603 2.011 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.468 -11.383 0.342 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.963 -10.580 0.881 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.881 -9.749 3.629 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.826 -8.717 2.530 1.00 71.25 H new ATOM 0 HG23 VAL A 93 60.235 -8.174 3.112 1.00 71.25 H new ATOM 1450 N LYS A 94 59.403 -6.352 0.723 1.00 25.30 N ATOM 1451 CA LYS A 94 58.394 -5.297 0.944 1.00 34.12 C ATOM 1452 C LYS A 94 57.606 -5.001 -0.322 1.00 43.13 C ATOM 1453 O LYS A 94 56.490 -4.489 -0.247 1.00 62.22 O ATOM 1454 CB LYS A 94 58.963 -3.982 1.524 1.00 44.32 C ATOM 1455 CG LYS A 94 59.101 -3.841 3.065 1.00 11.41 C ATOM 1456 CD LYS A 94 59.966 -4.899 3.750 1.00 61.24 C ATOM 1457 CE LYS A 94 59.180 -6.128 4.175 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.109 -5.809 5.153 1.00 40.32 N ATOM 0 H LYS A 94 60.355 -6.025 0.558 1.00 25.30 H new ATOM 0 HA LYS A 94 57.728 -5.710 1.702 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.951 -3.830 1.089 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.331 -3.166 1.173 1.00 44.32 H new ATOM 0 HG2 LYS A 94 59.517 -2.858 3.286 1.00 11.41 H new ATOM 0 HG3 LYS A 94 58.104 -3.871 3.505 1.00 11.41 H new ATOM 0 HD2 LYS A 94 60.764 -5.202 3.072 1.00 61.24 H new ATOM 0 HD3 LYS A 94 60.442 -4.459 4.626 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.737 -6.594 3.295 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.861 -6.858 4.613 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 57.893 -6.654 5.719 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.429 -5.044 5.781 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.254 -5.505 4.645 1.00 40.32 H new ATOM 1472 N GLU A 95 58.187 -5.297 -1.485 1.00 41.22 N ATOM 1473 CA GLU A 95 57.489 -5.078 -2.750 1.00 25.25 C ATOM 1474 C GLU A 95 56.368 -6.078 -2.933 1.00 44.21 C ATOM 1475 O GLU A 95 56.526 -7.126 -3.550 1.00 11.24 O ATOM 1476 CB GLU A 95 58.397 -5.146 -3.938 1.00 62.12 C ATOM 1477 CG GLU A 95 59.548 -4.161 -3.931 1.00 1.24 C ATOM 1478 CD GLU A 95 59.084 -2.732 -3.824 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.617 -2.168 -4.825 1.00 35.23 O ATOM 1480 OE2 GLU A 95 59.171 -2.143 -2.723 1.00 30.24 O ATOM 0 H GLU A 95 59.126 -5.684 -1.577 1.00 41.22 H new ATOM 0 HA GLU A 95 57.084 -4.068 -2.692 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.804 -6.155 -4.006 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.804 -4.980 -4.838 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.211 -4.388 -3.096 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.132 -4.283 -4.844 1.00 1.24 H new ATOM 1487 N HIS A 96 55.261 -5.713 -2.404 1.00 61.03 N ATOM 1488 CA HIS A 96 54.042 -6.526 -2.326 1.00 22.11 C ATOM 1489 C HIS A 96 53.594 -6.998 -3.687 1.00 24.20 C ATOM 1490 O HIS A 96 53.365 -8.189 -3.894 1.00 4.12 O ATOM 1491 CB HIS A 96 52.897 -5.746 -1.654 1.00 0.11 C ATOM 1492 CG HIS A 96 53.169 -5.335 -0.237 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.465 -4.042 0.131 1.00 0.33 N ATOM 1494 CD2 HIS A 96 53.185 -6.055 0.899 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.654 -3.982 1.423 1.00 53.21 C ATOM 1496 NE2 HIS A 96 53.491 -5.196 1.925 1.00 71.43 N ATOM 0 H HIS A 96 55.144 -4.792 -1.982 1.00 61.03 H new ATOM 0 HA HIS A 96 54.287 -7.399 -1.720 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.688 -4.853 -2.244 1.00 0.11 H new ATOM 0 HB3 HIS A 96 51.996 -6.359 -1.674 1.00 0.11 H new ATOM 0 HD2 HIS A 96 52.993 -7.114 0.988 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.901 -3.093 1.985 1.00 53.21 H new ATOM 0 HE2 HIS A 96 53.578 -5.450 2.909 1.00 71.43 H new ATOM 1504 N ARG A 97 53.529 -6.072 -4.623 1.00 61.45 N ATOM 1505 CA ARG A 97 53.057 -6.362 -5.968 1.00 2.00 C ATOM 1506 C ARG A 97 54.017 -7.294 -6.677 1.00 60.51 C ATOM 1507 O ARG A 97 53.615 -8.128 -7.481 1.00 63.44 O ATOM 1508 CB ARG A 97 52.901 -5.079 -6.777 1.00 25.22 C ATOM 1509 CG ARG A 97 51.887 -4.097 -6.216 1.00 31.52 C ATOM 1510 CD ARG A 97 51.804 -2.859 -7.089 1.00 61.22 C ATOM 1511 NE ARG A 97 51.506 -3.191 -8.491 1.00 52.14 N ATOM 1512 CZ ARG A 97 51.706 -2.376 -9.535 1.00 35.43 C ATOM 1513 NH1 ARG A 97 52.152 -1.141 -9.341 1.00 32.04 N ATOM 1514 NH2 ARG A 97 51.449 -2.801 -10.770 1.00 50.15 N ATOM 0 H ARG A 97 53.800 -5.100 -4.476 1.00 61.45 H new ATOM 0 HA ARG A 97 52.084 -6.845 -5.884 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.870 -4.584 -6.839 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.610 -5.340 -7.795 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.908 -4.572 -6.155 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.168 -3.815 -5.201 1.00 31.52 H new ATOM 0 HD2 ARG A 97 51.032 -2.194 -6.702 1.00 61.22 H new ATOM 0 HD3 ARG A 97 52.748 -2.316 -7.038 1.00 61.22 H new ATOM 0 HE ARG A 97 51.117 -4.114 -8.683 1.00 52.14 H new ATOM 0 HH11 ARG A 97 52.343 -0.811 -8.395 1.00 32.04 H new ATOM 0 HH12 ARG A 97 52.303 -0.522 -10.138 1.00 32.04 H new ATOM 0 HH21 ARG A 97 51.100 -3.747 -10.921 1.00 50.15 H new ATOM 0 HH22 ARG A 97 51.601 -2.180 -11.565 1.00 50.15 H new ATOM 1528 N LYS A 98 55.282 -7.184 -6.340 1.00 3.30 N ATOM 1529 CA LYS A 98 56.293 -8.003 -6.963 1.00 1.24 C ATOM 1530 C LYS A 98 56.260 -9.406 -6.436 1.00 33.20 C ATOM 1531 O LYS A 98 56.538 -10.352 -7.169 1.00 63.32 O ATOM 1532 CB LYS A 98 57.683 -7.384 -6.851 1.00 62.12 C ATOM 1533 CG LYS A 98 57.837 -6.095 -7.646 1.00 4.31 C ATOM 1534 CD LYS A 98 57.462 -6.329 -9.102 1.00 4.22 C ATOM 1535 CE LYS A 98 57.682 -5.117 -9.958 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.319 -5.400 -11.354 1.00 63.10 N ATOM 0 H LYS A 98 55.634 -6.534 -5.637 1.00 3.30 H new ATOM 0 HA LYS A 98 56.059 -8.050 -8.027 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.900 -7.183 -5.802 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.423 -8.106 -7.197 1.00 62.12 H new ATOM 0 HG2 LYS A 98 57.203 -5.318 -7.220 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.865 -5.739 -7.580 1.00 4.31 H new ATOM 0 HD2 LYS A 98 58.050 -7.158 -9.496 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.414 -6.625 -9.160 1.00 4.22 H new ATOM 0 HE2 LYS A 98 57.085 -4.286 -9.582 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.726 -4.810 -9.903 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.477 -4.551 -11.933 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 57.906 -6.179 -11.714 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.316 -5.671 -11.404 1.00 63.10 H new ATOM 1550 N ILE A 99 55.878 -9.548 -5.184 1.00 54.20 N ATOM 1551 CA ILE A 99 55.754 -10.860 -4.586 1.00 3.41 C ATOM 1552 C ILE A 99 54.642 -11.612 -5.296 1.00 32.52 C ATOM 1553 O ILE A 99 54.836 -12.718 -5.774 1.00 34.24 O ATOM 1554 CB ILE A 99 55.417 -10.800 -3.076 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.370 -9.854 -2.324 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.459 -12.201 -2.472 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.842 -10.172 -2.455 1.00 13.25 C ATOM 0 H ILE A 99 55.649 -8.773 -4.562 1.00 54.20 H new ATOM 0 HA ILE A 99 56.716 -11.361 -4.691 1.00 3.41 H new ATOM 0 HB ILE A 99 54.408 -10.401 -2.970 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.203 -8.838 -2.682 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.106 -9.867 -1.266 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.220 -12.147 -1.410 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.730 -12.836 -2.975 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.456 -12.622 -2.599 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.423 -9.445 -1.888 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.034 -11.172 -2.067 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.132 -10.128 -3.505 1.00 13.25 H new ATOM 1569 N TYR A 100 53.491 -10.962 -5.419 1.00 43.11 N ATOM 1570 CA TYR A 100 52.327 -11.565 -6.065 1.00 15.13 C ATOM 1571 C TYR A 100 52.636 -11.939 -7.494 1.00 34.44 C ATOM 1572 O TYR A 100 52.288 -13.022 -7.951 1.00 3.54 O ATOM 1573 CB TYR A 100 51.127 -10.617 -6.068 1.00 21.14 C ATOM 1574 CG TYR A 100 50.752 -10.061 -4.723 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.831 -10.834 -3.578 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.308 -8.759 -4.608 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.480 -10.328 -2.353 1.00 62.13 C ATOM 1578 CE2 TYR A 100 49.954 -8.234 -3.387 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.040 -9.019 -2.259 1.00 51.34 C ATOM 1580 OH TYR A 100 49.681 -8.493 -1.036 1.00 40.22 O ATOM 0 H TYR A 100 53.337 -10.013 -5.079 1.00 43.11 H new ATOM 0 HA TYR A 100 52.081 -12.457 -5.489 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.341 -9.786 -6.741 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.267 -11.146 -6.478 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.176 -11.855 -3.651 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.237 -8.142 -5.492 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.546 -10.945 -1.469 1.00 62.13 H new ATOM 0 HE2 TYR A 100 49.611 -7.213 -3.313 1.00 71.11 H new ATOM 0 HH TYR A 100 50.476 -8.414 -0.468 1.00 40.22 H new ATOM 1590 N THR A 101 53.364 -11.091 -8.164 1.00 71.31 N ATOM 1591 CA THR A 101 53.615 -11.282 -9.568 1.00 4.12 C ATOM 1592 C THR A 101 54.693 -12.323 -9.837 1.00 22.22 C ATOM 1593 O THR A 101 54.584 -13.067 -10.797 1.00 14.53 O ATOM 1594 CB THR A 101 53.910 -9.967 -10.325 1.00 52.21 C ATOM 1595 OG1 THR A 101 54.906 -9.204 -9.631 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.643 -9.137 -10.491 1.00 55.24 C ATOM 0 H THR A 101 53.796 -10.259 -7.762 1.00 71.31 H new ATOM 0 HA THR A 101 52.678 -11.670 -9.968 1.00 4.12 H new ATOM 0 HB THR A 101 54.285 -10.226 -11.315 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.479 -8.672 -8.927 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.878 -8.217 -11.027 1.00 55.24 H new ATOM 0 HG22 THR A 101 51.906 -9.707 -11.056 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.238 -8.892 -9.509 1.00 55.24 H new ATOM 1604 N MET A 102 55.713 -12.416 -8.967 1.00 34.35 N ATOM 1605 CA MET A 102 56.771 -13.425 -9.156 1.00 63.42 C ATOM 1606 C MET A 102 56.195 -14.821 -9.007 1.00 13.22 C ATOM 1607 O MET A 102 56.625 -15.771 -9.676 1.00 73.13 O ATOM 1608 CB MET A 102 57.988 -13.220 -8.207 1.00 43.15 C ATOM 1609 CG MET A 102 57.721 -13.421 -6.718 1.00 11.42 C ATOM 1610 SD MET A 102 59.181 -13.144 -5.676 1.00 45.04 S ATOM 1611 CE MET A 102 59.519 -11.398 -5.958 1.00 54.24 C ATOM 0 H MET A 102 55.828 -11.822 -8.146 1.00 34.35 H new ATOM 0 HA MET A 102 57.153 -13.299 -10.169 1.00 63.42 H new ATOM 0 HB2 MET A 102 58.778 -13.907 -8.509 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.371 -12.210 -8.353 1.00 43.15 H new ATOM 0 HG2 MET A 102 56.927 -12.743 -6.405 1.00 11.42 H new ATOM 0 HG3 MET A 102 57.356 -14.435 -6.556 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.435 -11.294 -6.539 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.690 -10.951 -6.506 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.637 -10.891 -5.000 1.00 54.24 H new ATOM 1621 N ILE A 103 55.172 -14.913 -8.188 1.00 3.21 N ATOM 1622 CA ILE A 103 54.495 -16.154 -7.941 1.00 52.20 C ATOM 1623 C ILE A 103 53.537 -16.427 -9.094 1.00 5.52 C ATOM 1624 O ILE A 103 53.598 -17.474 -9.733 1.00 70.30 O ATOM 1625 CB ILE A 103 53.727 -16.075 -6.600 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.719 -15.798 -5.457 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.948 -17.361 -6.344 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.073 -15.464 -4.121 1.00 2.12 C ATOM 0 H ILE A 103 54.788 -14.120 -7.674 1.00 3.21 H new ATOM 0 HA ILE A 103 55.217 -16.968 -7.872 1.00 52.20 H new ATOM 0 HB ILE A 103 53.007 -15.259 -6.650 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.357 -16.672 -5.328 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.367 -14.971 -5.749 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.416 -17.282 -5.396 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.231 -17.519 -7.150 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.639 -18.203 -6.303 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.849 -15.284 -3.377 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.458 -14.570 -4.227 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.448 -16.298 -3.800 1.00 2.12 H new ATOM 1640 N TYR A 104 52.710 -15.436 -9.393 1.00 40.11 N ATOM 1641 CA TYR A 104 51.711 -15.503 -10.450 1.00 44.15 C ATOM 1642 C TYR A 104 52.317 -15.796 -11.827 1.00 13.14 C ATOM 1643 O TYR A 104 51.728 -16.510 -12.628 1.00 40.12 O ATOM 1644 CB TYR A 104 50.867 -14.209 -10.432 1.00 10.23 C ATOM 1645 CG TYR A 104 50.551 -13.612 -11.776 1.00 54.34 C ATOM 1646 CD1 TYR A 104 51.428 -12.708 -12.349 1.00 54.33 C ATOM 1647 CD2 TYR A 104 49.392 -13.936 -12.458 1.00 23.41 C ATOM 1648 CE1 TYR A 104 51.168 -12.138 -13.569 1.00 5.31 C ATOM 1649 CE2 TYR A 104 49.118 -13.373 -13.688 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.013 -12.474 -14.239 1.00 60.51 C ATOM 1651 OH TYR A 104 49.743 -11.904 -15.464 1.00 1.15 O ATOM 0 H TYR A 104 52.715 -14.544 -8.898 1.00 40.11 H new ATOM 0 HA TYR A 104 51.055 -16.351 -10.253 1.00 44.15 H new ATOM 0 HB2 TYR A 104 49.928 -14.418 -9.919 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.395 -13.462 -9.839 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.335 -12.446 -11.825 1.00 54.33 H new ATOM 0 HD2 TYR A 104 48.694 -14.637 -12.024 1.00 23.41 H new ATOM 0 HE1 TYR A 104 51.863 -11.432 -14.000 1.00 5.31 H new ATOM 0 HE2 TYR A 104 48.212 -13.632 -14.216 1.00 54.14 H new ATOM 0 HH TYR A 104 48.890 -12.247 -15.804 1.00 1.15 H new ATOM 1661 N ARG A 105 53.486 -15.256 -12.078 1.00 53.53 N ATOM 1662 CA ARG A 105 54.174 -15.438 -13.346 1.00 5.51 C ATOM 1663 C ARG A 105 54.585 -16.898 -13.536 1.00 13.24 C ATOM 1664 O ARG A 105 54.665 -17.398 -14.663 1.00 2.23 O ATOM 1665 CB ARG A 105 55.410 -14.533 -13.380 1.00 24.32 C ATOM 1666 CG ARG A 105 56.245 -14.642 -14.633 1.00 13.52 C ATOM 1667 CD ARG A 105 57.470 -13.763 -14.545 1.00 62.13 C ATOM 1668 NE ARG A 105 58.333 -13.933 -15.708 1.00 23.52 N ATOM 1669 CZ ARG A 105 59.609 -13.551 -15.785 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.199 -12.930 -14.757 1.00 4.40 N ATOM 1671 NH2 ARG A 105 60.292 -13.790 -16.894 1.00 43.11 N ATOM 0 H ARG A 105 53.993 -14.675 -11.410 1.00 53.53 H new ATOM 0 HA ARG A 105 53.499 -15.170 -14.159 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.088 -13.498 -13.265 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.038 -14.769 -12.521 1.00 24.32 H new ATOM 0 HG2 ARG A 105 56.547 -15.678 -14.784 1.00 13.52 H new ATOM 0 HG3 ARG A 105 55.648 -14.354 -15.498 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.166 -12.719 -14.466 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.027 -14.002 -13.639 1.00 62.13 H new ATOM 0 HE ARG A 105 57.928 -14.381 -16.530 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.673 -12.744 -13.903 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.175 -12.642 -14.827 1.00 4.40 H new ATOM 0 HH21 ARG A 105 59.842 -14.262 -17.678 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.268 -13.502 -16.964 1.00 43.11 H new ATOM 1685 N ASN A 106 54.782 -17.584 -12.434 1.00 14.40 N ATOM 1686 CA ASN A 106 55.278 -18.943 -12.475 1.00 75.13 C ATOM 1687 C ASN A 106 54.212 -19.972 -12.259 1.00 64.35 C ATOM 1688 O ASN A 106 54.494 -21.177 -12.192 1.00 43.10 O ATOM 1689 CB ASN A 106 56.452 -19.153 -11.533 1.00 32.11 C ATOM 1690 CG ASN A 106 57.706 -18.518 -12.069 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.416 -19.129 -12.858 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.021 -17.330 -11.630 1.00 61.11 N ATOM 0 H ASN A 106 54.607 -17.224 -11.496 1.00 14.40 H new ATOM 0 HA ASN A 106 55.640 -19.089 -13.493 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.217 -18.730 -10.556 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.617 -20.221 -11.387 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.882 -16.882 -11.944 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.406 -16.849 -10.973 1.00 61.11 H new ATOM 1699 N LEU A 107 53.003 -19.534 -12.187 1.00 34.24 N ATOM 1700 CA LEU A 107 51.897 -20.447 -12.071 1.00 22.31 C ATOM 1701 C LEU A 107 51.022 -20.341 -13.281 1.00 22.33 C ATOM 1702 O LEU A 107 51.105 -19.373 -14.041 1.00 3.21 O ATOM 1703 CB LEU A 107 51.071 -20.206 -10.774 1.00 10.31 C ATOM 1704 CG LEU A 107 50.407 -18.850 -10.617 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.059 -18.750 -11.287 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.387 -18.377 -9.182 1.00 33.10 C ATOM 0 H LEU A 107 52.745 -18.547 -12.206 1.00 34.24 H new ATOM 0 HA LEU A 107 52.304 -21.456 -12.006 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.296 -20.970 -10.720 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.730 -20.360 -9.920 1.00 10.31 H new ATOM 0 HG LEU A 107 51.043 -18.153 -11.162 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.648 -17.753 -11.131 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.169 -18.934 -12.356 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.384 -19.491 -10.859 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.901 -17.403 -9.127 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.837 -19.092 -8.571 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.409 -18.294 -8.812 1.00 33.10 H new ATOM 1718 N VAL A 108 50.206 -21.311 -13.465 1.00 63.11 N ATOM 1719 CA VAL A 108 49.216 -21.252 -14.485 1.00 1.01 C ATOM 1720 C VAL A 108 47.887 -21.090 -13.799 1.00 71.42 C ATOM 1721 O VAL A 108 47.729 -21.505 -12.626 1.00 31.43 O ATOM 1722 CB VAL A 108 49.232 -22.449 -15.486 1.00 35.03 C ATOM 1723 CG1 VAL A 108 50.524 -22.457 -16.290 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.056 -23.769 -14.782 1.00 72.10 C ATOM 0 H VAL A 108 50.202 -22.170 -12.915 1.00 63.11 H new ATOM 0 HA VAL A 108 49.431 -20.401 -15.131 1.00 1.01 H new ATOM 0 HB VAL A 108 48.389 -22.315 -16.164 1.00 35.03 H new ATOM 0 HG11 VAL A 108 50.516 -23.299 -16.982 1.00 45.42 H new ATOM 0 HG12 VAL A 108 50.609 -21.526 -16.851 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.373 -22.552 -15.613 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.073 -24.577 -15.514 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.866 -23.911 -14.067 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.102 -23.776 -14.256 1.00 72.10 H new ATOM 1794 N THR B 305 60.779 -10.256 12.330 1.00 33.52 N ATOM 1795 CA THR B 305 61.315 -11.469 11.793 1.00 3.31 C ATOM 1796 C THR B 305 60.699 -11.730 10.407 1.00 54.44 C ATOM 1797 O THR B 305 59.498 -11.442 10.184 1.00 34.54 O ATOM 1798 CB THR B 305 61.080 -12.667 12.777 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.715 -13.852 12.303 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.597 -12.941 13.001 1.00 31.13 C ATOM 0 HA THR B 305 62.394 -11.369 11.674 1.00 3.31 H new ATOM 0 HB THR B 305 61.522 -12.377 13.730 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.555 -14.584 12.935 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.482 -13.779 13.689 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.123 -12.055 13.425 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.124 -13.185 12.050 1.00 31.13 H new ATOM 1808 N PHE B 306 61.511 -12.258 9.488 1.00 23.43 N ATOM 1809 CA PHE B 306 61.105 -12.509 8.109 1.00 31.21 C ATOM 1810 C PHE B 306 59.824 -13.314 8.004 1.00 61.12 C ATOM 1811 O PHE B 306 58.900 -12.906 7.320 1.00 3.43 O ATOM 1812 CB PHE B 306 62.221 -13.188 7.298 1.00 53.41 C ATOM 1813 CG PHE B 306 61.759 -13.666 5.941 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.209 -12.788 5.039 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.840 -14.997 5.597 1.00 73.14 C ATOM 1816 CE1 PHE B 306 60.759 -13.217 3.821 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.384 -15.442 4.376 1.00 14.34 C ATOM 1818 CZ PHE B 306 60.845 -14.547 3.486 1.00 41.22 C ATOM 0 H PHE B 306 62.476 -12.524 9.685 1.00 23.43 H new ATOM 0 HA PHE B 306 60.909 -11.526 7.681 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.046 -12.487 7.169 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.608 -14.036 7.863 1.00 53.41 H new ATOM 0 HD1 PHE B 306 61.131 -11.742 5.296 1.00 42.23 H new ATOM 0 HD2 PHE B 306 62.267 -15.702 6.295 1.00 73.14 H new ATOM 0 HE1 PHE B 306 60.336 -12.510 3.122 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.450 -16.489 4.120 1.00 14.34 H new ATOM 0 HZ PHE B 306 60.489 -14.887 2.525 1.00 41.22 H new ATOM 1828 N GLU B 307 59.750 -14.416 8.725 1.00 22.24 N ATOM 1829 CA GLU B 307 58.613 -15.328 8.624 1.00 73.43 C ATOM 1830 C GLU B 307 57.280 -14.616 8.919 1.00 33.30 C ATOM 1831 O GLU B 307 56.247 -14.917 8.302 1.00 31.35 O ATOM 1832 CB GLU B 307 58.795 -16.519 9.558 1.00 34.14 C ATOM 1833 CG GLU B 307 57.703 -17.562 9.426 1.00 23.45 C ATOM 1834 CD GLU B 307 57.852 -18.690 10.395 1.00 64.23 C ATOM 1835 OE1 GLU B 307 57.427 -18.547 11.563 1.00 13.13 O ATOM 1836 OE2 GLU B 307 58.350 -19.753 10.014 1.00 53.15 O ATOM 0 H GLU B 307 60.465 -14.708 9.392 1.00 22.24 H new ATOM 0 HA GLU B 307 58.575 -15.688 7.596 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.759 -16.986 9.355 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.824 -16.162 10.588 1.00 34.14 H new ATOM 0 HG2 GLU B 307 56.734 -17.086 9.577 1.00 23.45 H new ATOM 0 HG3 GLU B 307 57.708 -17.959 8.411 1.00 23.45 H new ATOM 1843 N HIS B 308 57.326 -13.613 9.776 1.00 4.31 N ATOM 1844 CA HIS B 308 56.122 -12.929 10.177 1.00 63.23 C ATOM 1845 C HIS B 308 55.757 -11.923 9.124 1.00 43.42 C ATOM 1846 O HIS B 308 54.612 -11.841 8.698 1.00 4.03 O ATOM 1847 CB HIS B 308 56.314 -12.210 11.509 1.00 63.24 C ATOM 1848 CG HIS B 308 55.052 -11.587 12.046 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.882 -10.230 12.176 1.00 22.21 N ATOM 1850 CD2 HIS B 308 53.893 -12.147 12.473 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.691 -9.968 12.650 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.059 -11.114 12.842 1.00 65.13 N ATOM 0 H HIS B 308 58.182 -13.259 10.203 1.00 4.31 H new ATOM 0 HA HIS B 308 55.328 -13.666 10.295 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.700 -12.918 12.242 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.069 -11.434 11.388 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.667 -13.202 12.516 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.292 -8.984 12.850 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.111 -11.216 13.204 1.00 65.13 H new ATOM 1860 N LEU B 309 56.745 -11.185 8.682 1.00 64.14 N ATOM 1861 CA LEU B 309 56.531 -10.132 7.728 1.00 52.01 C ATOM 1862 C LEU B 309 56.207 -10.675 6.321 1.00 42.30 C ATOM 1863 O LEU B 309 55.460 -10.058 5.561 1.00 13.44 O ATOM 1864 CB LEU B 309 57.687 -9.096 7.782 1.00 30.00 C ATOM 1865 CG LEU B 309 59.132 -9.571 7.517 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.380 -9.859 6.061 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.145 -8.575 8.039 1.00 12.40 C ATOM 0 H LEU B 309 57.716 -11.299 8.974 1.00 64.14 H new ATOM 0 HA LEU B 309 55.633 -9.582 8.009 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.461 -8.313 7.059 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.669 -8.634 8.769 1.00 30.00 H new ATOM 0 HG LEU B 309 59.255 -10.507 8.062 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.410 -10.190 5.926 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.700 -10.642 5.724 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.210 -8.955 5.477 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.152 -8.940 7.836 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.000 -7.615 7.543 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.013 -8.452 9.114 1.00 12.40 H new ATOM 1879 N TRP B 310 56.713 -11.859 6.020 1.00 43.14 N ATOM 1880 CA TRP B 310 56.446 -12.532 4.757 1.00 14.01 C ATOM 1881 C TRP B 310 55.025 -13.053 4.778 1.00 31.23 C ATOM 1882 O TRP B 310 54.303 -12.980 3.799 1.00 14.12 O ATOM 1883 CB TRP B 310 57.460 -13.671 4.534 1.00 43.11 C ATOM 1884 CG TRP B 310 57.219 -14.530 3.316 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.604 -15.727 3.302 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.595 -14.269 1.947 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.565 -16.234 2.030 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.152 -15.363 1.182 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.251 -13.229 1.295 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.339 -15.447 -0.188 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.436 -13.314 -0.071 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.979 -14.415 -0.798 1.00 52.42 C ATOM 0 H TRP B 310 57.323 -12.384 6.646 1.00 43.14 H new ATOM 0 HA TRP B 310 56.556 -11.833 3.928 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.457 -13.236 4.458 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.458 -14.313 5.415 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.198 -16.220 4.173 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.156 -17.130 1.765 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.608 -12.372 1.847 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 56.989 -16.300 -0.750 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.944 -12.513 -0.587 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.137 -14.447 -1.866 1.00 52.42 H new ATOM 1903 N SER B 311 54.598 -13.506 5.929 1.00 14.42 N ATOM 1904 CA SER B 311 53.250 -13.979 6.078 1.00 14.14 C ATOM 1905 C SER B 311 52.273 -12.797 6.207 1.00 41.41 C ATOM 1906 O SER B 311 51.071 -12.974 6.243 1.00 31.14 O ATOM 1907 CB SER B 311 53.146 -14.909 7.284 1.00 42.43 C ATOM 1908 OG SER B 311 54.012 -16.032 7.132 1.00 14.24 O ATOM 0 H SER B 311 55.166 -13.556 6.775 1.00 14.42 H new ATOM 0 HA SER B 311 52.977 -14.544 5.187 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.404 -14.365 8.192 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.117 -15.250 7.399 1.00 42.43 H new ATOM 0 HG SER B 311 54.893 -15.818 7.504 1.00 14.24 H new ATOM 1914 N SER B 312 52.809 -11.598 6.249 1.00 1.11 N ATOM 1915 CA SER B 312 52.009 -10.415 6.396 1.00 11.44 C ATOM 1916 C SER B 312 52.122 -9.512 5.168 1.00 60.40 C ATOM 1917 O SER B 312 51.752 -8.336 5.223 1.00 41.34 O ATOM 1918 CB SER B 312 52.441 -9.669 7.651 1.00 21.31 C ATOM 1919 OG SER B 312 52.277 -10.485 8.814 1.00 22.34 O ATOM 0 H SER B 312 53.811 -11.421 6.182 1.00 1.11 H new ATOM 0 HA SER B 312 50.963 -10.708 6.489 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.484 -9.367 7.558 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.854 -8.757 7.757 1.00 21.31 H new ATOM 0 HG SER B 312 53.016 -11.127 8.870 1.00 22.34 H new ATOM 1925 N LEU B 313 52.587 -10.056 4.049 1.00 4.23 N ATOM 1926 CA LEU B 313 52.736 -9.234 2.855 1.00 14.51 C ATOM 1927 C LEU B 313 51.462 -9.224 2.039 1.00 52.23 C ATOM 1928 O LEU B 313 51.369 -8.560 1.011 1.00 52.02 O ATOM 1929 CB LEU B 313 53.969 -9.651 2.022 1.00 61.41 C ATOM 1930 CG LEU B 313 54.028 -11.085 1.464 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.112 -11.300 0.262 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.442 -11.433 1.118 1.00 23.23 C ATOM 0 H LEU B 313 52.860 -11.033 3.943 1.00 4.23 H new ATOM 0 HA LEU B 313 52.918 -8.208 3.176 1.00 14.51 H new ATOM 0 HB2 LEU B 313 54.048 -8.964 1.179 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.854 -9.499 2.641 1.00 61.41 H new ATOM 0 HG LEU B 313 53.663 -11.750 2.246 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.200 -12.330 -0.083 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.080 -11.101 0.551 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.401 -10.622 -0.541 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.481 -12.448 0.723 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.814 -10.737 0.366 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.062 -11.367 2.012 1.00 23.23 H new ATOM 1944 N GLU B 314 50.499 -9.967 2.495 1.00 50.02 N ATOM 1945 CA GLU B 314 49.229 -10.050 1.843 1.00 22.11 C ATOM 1946 C GLU B 314 48.242 -9.188 2.614 1.00 24.03 C ATOM 1947 O GLU B 314 48.534 -8.765 3.750 1.00 52.11 O ATOM 1948 CB GLU B 314 48.722 -11.501 1.854 1.00 41.12 C ATOM 1949 CG GLU B 314 48.405 -12.016 3.252 1.00 31.33 C ATOM 1950 CD GLU B 314 47.743 -13.362 3.256 1.00 73.45 C ATOM 1951 OE1 GLU B 314 46.664 -13.493 2.663 1.00 40.53 O ATOM 1952 OE2 GLU B 314 48.255 -14.298 3.919 1.00 13.23 O ATOM 0 H GLU B 314 50.574 -10.537 3.337 1.00 50.02 H new ATOM 0 HA GLU B 314 49.326 -9.711 0.812 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.826 -11.571 1.237 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.474 -12.145 1.399 1.00 41.12 H new ATOM 0 HG2 GLU B 314 49.328 -12.072 3.828 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.757 -11.299 3.757 1.00 31.33 H new ATOM 1959 N PRO B 315 47.109 -8.853 2.021 1.00 10.45 N ATOM 1960 CA PRO B 315 46.033 -8.271 2.755 1.00 54.32 C ATOM 1961 C PRO B 315 45.276 -9.396 3.474 1.00 3.22 C ATOM 1962 O PRO B 315 45.495 -9.628 4.675 1.00 2.51 O ATOM 1963 CB PRO B 315 45.165 -7.572 1.701 1.00 25.23 C ATOM 1964 CG PRO B 315 45.699 -7.997 0.360 1.00 44.42 C ATOM 1965 CD PRO B 315 46.813 -8.979 0.589 1.00 62.12 C ATOM 0 HA PRO B 315 46.350 -7.559 3.517 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.118 -7.856 1.810 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.215 -6.489 1.813 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.909 -8.451 -0.238 1.00 44.42 H new ATOM 0 HG3 PRO B 315 46.062 -7.133 -0.196 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.510 -9.994 0.332 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.685 -8.743 -0.021 1.00 62.12 H new ATOM 1973 N ASP B 316 44.478 -10.136 2.711 1.00 41.21 N ATOM 1974 CA ASP B 316 43.738 -11.303 3.161 1.00 41.22 C ATOM 1975 C ASP B 316 42.861 -11.774 2.031 1.00 10.30 C ATOM 1976 O ASP B 316 41.749 -11.233 1.862 1.00 0.00 O ATOM 1977 CB ASP B 316 42.876 -11.035 4.399 1.00 11.05 C ATOM 1978 CG ASP B 316 42.101 -12.262 4.802 1.00 61.13 C ATOM 1979 OD1 ASP B 316 42.719 -13.321 5.041 1.00 1.52 O ATOM 1980 OD2 ASP B 316 40.858 -12.201 4.902 1.00 52.21 O ATOM 1981 OXT ASP B 316 43.288 -12.636 1.252 1.00 0.00 O ATOM 0 H ASP B 316 44.325 -9.928 1.724 1.00 41.21 H new ATOM 0 HA ASP B 316 44.464 -12.063 3.449 1.00 41.22 H new ATOM 0 HB2 ASP B 316 43.511 -10.716 5.225 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.185 -10.217 4.194 1.00 11.05 H new