USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 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 94 LYS NZ :NH3+ -158:sc= -0.123 (180deg=-0.527) USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.76 K(o=-0.88,f=-0.29) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.939) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.9) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 2.21 (180deg=1.7) USER MOD Single : A 40 SER OG : rot 83:sc= 1.3 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0.639 USER MOD Single : A 49 THR OG1 : rot -81:sc= 1.25 USER MOD Single : A 50 MET CE :methyl 138:sc= -0.558 (180deg=-2.67!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 1.07 (180deg=-0.425!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.126 K(o=0.13,f=-0.39) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 161:sc= -0.327 (180deg=-1.14) 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 134:sc= 1.25 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.765) USER MOD Single : A 71 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.57) USER MOD Single : A 72 GLN : amide:sc= 0.401 K(o=0.4,f=-5.1!) USER MOD Single : A 73 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.018) USER MOD Single : A 76 TYR OH : rot -178:sc= 1.24 USER MOD Single : A 77 CYS SG : rot 134:sc= -4.03 USER MOD Single : A 78 SER OG : rot -66:sc= 1.24 USER MOD Single : A 79 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.012) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.672) USER MOD Single : A 100 TYR OH : rot 41:sc= 1.24 USER MOD Single : A 101 THR OG1 : rot -76:sc= 0.548 USER MOD Single : A 102 MET CE :methyl -153:sc= -0.679 (180deg=-1.55!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.6!) USER MOD Single : B 305 THR OG1 : rot 180:sc= 0 USER MOD Single : B 308 HIS : no HD1:sc=-0.00597 X(o=-0.006,f=-0.0016) USER MOD Single : B 311 SER OG : rot 107:sc= 1.24 USER MOD Single : B 312 SER OG : rot 88:sc= 0.947 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.144 -21.065 -5.811 1.00 5.11 N ATOM 334 CA LEU A 27 44.216 -22.014 -5.775 1.00 60.50 C ATOM 335 C LEU A 27 45.159 -21.733 -6.906 1.00 75.55 C ATOM 336 O LEU A 27 44.736 -21.382 -8.008 1.00 13.21 O ATOM 337 CB LEU A 27 43.701 -23.450 -5.856 1.00 70.13 C ATOM 338 CG LEU A 27 42.859 -23.935 -4.677 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.377 -25.347 -4.933 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.662 -23.877 -3.380 1.00 40.21 C ATOM 0 HA LEU A 27 44.738 -21.911 -4.824 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.107 -23.550 -6.764 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.558 -24.115 -5.961 1.00 70.13 H new ATOM 0 HG LEU A 27 41.995 -23.278 -4.573 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.777 -25.686 -4.088 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.771 -25.366 -5.839 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.235 -26.008 -5.057 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.044 -24.227 -2.553 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.543 -24.513 -3.469 1.00 40.21 H new ATOM 0 HD23 LEU A 27 43.974 -22.850 -3.191 1.00 40.21 H new ATOM 352 N VAL A 28 46.410 -21.832 -6.633 1.00 40.25 N ATOM 353 CA VAL A 28 47.410 -21.622 -7.617 1.00 11.42 C ATOM 354 C VAL A 28 47.975 -22.956 -8.037 1.00 51.22 C ATOM 355 O VAL A 28 48.060 -23.898 -7.226 1.00 23.41 O ATOM 356 CB VAL A 28 48.545 -20.683 -7.106 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.966 -19.351 -6.652 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.363 -21.317 -5.987 1.00 61.10 C ATOM 0 H VAL A 28 46.773 -22.064 -5.708 1.00 40.25 H new ATOM 0 HA VAL A 28 46.952 -21.126 -8.473 1.00 11.42 H new ATOM 0 HB VAL A 28 49.223 -20.514 -7.942 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.770 -18.706 -6.298 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.458 -18.871 -7.488 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.254 -19.520 -5.844 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.140 -20.623 -5.666 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.711 -21.546 -5.144 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.824 -22.236 -6.349 1.00 61.10 H new ATOM 368 N ARG A 29 48.294 -23.058 -9.286 1.00 35.24 N ATOM 369 CA ARG A 29 48.884 -24.252 -9.833 1.00 74.24 C ATOM 370 C ARG A 29 50.324 -23.925 -10.177 1.00 40.32 C ATOM 371 O ARG A 29 50.584 -23.319 -11.209 1.00 20.51 O ATOM 372 CB ARG A 29 48.129 -24.672 -11.089 1.00 11.01 C ATOM 373 CG ARG A 29 46.640 -24.889 -10.876 1.00 63.52 C ATOM 374 CD ARG A 29 45.920 -25.142 -12.189 1.00 40.33 C ATOM 375 NE ARG A 29 46.421 -26.339 -12.880 1.00 65.21 N ATOM 376 CZ ARG A 29 46.019 -26.768 -14.083 1.00 15.23 C ATOM 377 NH1 ARG A 29 45.130 -26.067 -14.791 1.00 52.24 N ATOM 378 NH2 ARG A 29 46.532 -27.884 -14.586 1.00 32.15 N ATOM 0 H ARG A 29 48.154 -22.312 -9.968 1.00 35.24 H new ATOM 0 HA ARG A 29 48.836 -25.073 -9.117 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.268 -23.909 -11.855 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.568 -25.593 -11.473 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.487 -25.736 -10.207 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.210 -24.015 -10.387 1.00 63.52 H new ATOM 0 HD2 ARG A 29 44.853 -25.255 -11.999 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.038 -24.275 -12.838 1.00 40.33 H new ATOM 0 HE ARG A 29 47.135 -26.889 -12.403 1.00 65.21 H new ATOM 0 HH11 ARG A 29 44.751 -25.197 -14.416 1.00 52.24 H new ATOM 0 HH12 ARG A 29 44.829 -26.401 -15.707 1.00 52.24 H new ATOM 0 HH21 ARG A 29 47.228 -28.409 -14.057 1.00 32.15 H new ATOM 0 HH22 ARG A 29 46.230 -28.216 -15.502 1.00 32.15 H new ATOM 392 N PRO A 30 51.268 -24.229 -9.289 1.00 1.41 N ATOM 393 CA PRO A 30 52.661 -23.866 -9.481 1.00 43.14 C ATOM 394 C PRO A 30 53.400 -24.763 -10.475 1.00 24.23 C ATOM 395 O PRO A 30 53.080 -25.948 -10.640 1.00 23.12 O ATOM 396 CB PRO A 30 53.279 -24.013 -8.077 1.00 54.02 C ATOM 397 CG PRO A 30 52.141 -24.347 -7.163 1.00 53.23 C ATOM 398 CD PRO A 30 51.075 -24.942 -8.025 1.00 55.33 C ATOM 0 HA PRO A 30 52.742 -22.865 -9.904 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.035 -24.798 -8.063 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.771 -23.091 -7.768 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.455 -25.050 -6.391 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.777 -23.455 -6.653 1.00 53.23 H new ATOM 0 HD2 PRO A 30 51.199 -26.019 -8.141 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.079 -24.779 -7.613 1.00 55.33 H new ATOM 406 N LYS A 31 54.357 -24.173 -11.152 1.00 71.41 N ATOM 407 CA LYS A 31 55.252 -24.881 -12.044 1.00 13.12 C ATOM 408 C LYS A 31 56.229 -25.733 -11.207 1.00 60.43 C ATOM 409 O LYS A 31 56.396 -25.468 -9.999 1.00 12.54 O ATOM 410 CB LYS A 31 56.004 -23.853 -12.924 1.00 45.42 C ATOM 411 CG LYS A 31 55.090 -23.128 -13.898 1.00 33.03 C ATOM 412 CD LYS A 31 55.796 -22.010 -14.635 1.00 44.22 C ATOM 413 CE LYS A 31 54.816 -21.283 -15.544 1.00 72.11 C ATOM 414 NZ LYS A 31 55.369 -20.033 -16.115 1.00 53.45 N ATOM 0 H LYS A 31 54.541 -23.171 -11.099 1.00 71.41 H new ATOM 0 HA LYS A 31 54.695 -25.549 -12.700 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.495 -23.122 -12.281 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.788 -24.365 -13.482 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.695 -23.842 -14.621 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.238 -22.719 -13.355 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.230 -21.310 -13.921 1.00 44.22 H new ATOM 0 HD3 LYS A 31 56.619 -22.415 -15.224 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.522 -21.947 -16.357 1.00 72.11 H new ATOM 0 HE3 LYS A 31 53.912 -21.049 -14.981 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 54.754 -19.701 -16.885 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.419 -19.305 -15.374 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.323 -20.214 -16.487 1.00 53.45 H new ATOM 428 N PRO A 32 56.911 -26.744 -11.827 1.00 4.31 N ATOM 429 CA PRO A 32 57.848 -27.684 -11.140 1.00 5.12 C ATOM 430 C PRO A 32 58.889 -26.992 -10.258 1.00 74.20 C ATOM 431 O PRO A 32 59.366 -27.568 -9.286 1.00 50.13 O ATOM 432 CB PRO A 32 58.555 -28.385 -12.319 1.00 54.05 C ATOM 433 CG PRO A 32 58.248 -27.515 -13.484 1.00 52.24 C ATOM 434 CD PRO A 32 56.846 -27.082 -13.254 1.00 71.25 C ATOM 0 HA PRO A 32 57.310 -28.344 -10.459 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.629 -28.465 -12.151 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.179 -29.398 -12.466 1.00 54.05 H new ATOM 0 HG2 PRO A 32 58.925 -26.662 -13.534 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.348 -28.058 -14.424 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.568 -26.228 -13.872 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.126 -27.874 -13.462 1.00 71.25 H new ATOM 442 N LEU A 33 59.209 -25.762 -10.601 1.00 43.22 N ATOM 443 CA LEU A 33 60.181 -24.962 -9.878 1.00 61.34 C ATOM 444 C LEU A 33 59.659 -24.628 -8.479 1.00 33.42 C ATOM 445 O LEU A 33 60.315 -24.881 -7.463 1.00 21.42 O ATOM 446 CB LEU A 33 60.455 -23.685 -10.660 1.00 61.22 C ATOM 447 CG LEU A 33 60.890 -23.896 -12.107 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.065 -22.577 -12.810 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.169 -24.706 -12.170 1.00 21.44 C ATOM 0 H LEU A 33 58.797 -25.281 -11.401 1.00 43.22 H new ATOM 0 HA LEU A 33 61.107 -25.526 -9.769 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.554 -23.072 -10.653 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.229 -23.119 -10.142 1.00 61.22 H new ATOM 0 HG LEU A 33 60.105 -24.454 -12.618 1.00 51.04 H new ATOM 0 HD11 LEU A 33 61.375 -22.752 -13.840 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.121 -22.033 -12.803 1.00 51.51 H new ATOM 0 HD13 LEU A 33 61.826 -21.989 -12.297 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.461 -24.845 -13.211 1.00 21.44 H new ATOM 0 HD22 LEU A 33 62.961 -24.178 -11.638 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.007 -25.679 -11.706 1.00 21.44 H new ATOM 461 N LEU A 34 58.456 -24.114 -8.422 1.00 3.45 N ATOM 462 CA LEU A 34 57.863 -23.792 -7.143 1.00 64.14 C ATOM 463 C LEU A 34 57.515 -25.060 -6.426 1.00 22.24 C ATOM 464 O LEU A 34 57.668 -25.158 -5.224 1.00 75.12 O ATOM 465 CB LEU A 34 56.659 -22.848 -7.267 1.00 35.35 C ATOM 466 CG LEU A 34 56.969 -21.334 -7.293 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.963 -20.972 -8.383 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.683 -20.534 -7.454 1.00 52.54 C ATOM 0 H LEU A 34 57.872 -23.911 -9.233 1.00 3.45 H new ATOM 0 HA LEU A 34 58.597 -23.242 -6.554 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.119 -23.101 -8.180 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.985 -23.044 -6.433 1.00 35.35 H new ATOM 0 HG LEU A 34 57.431 -21.079 -6.339 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.150 -19.898 -8.363 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.898 -21.506 -8.215 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.555 -21.251 -9.355 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.916 -19.469 -7.471 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.195 -20.813 -8.388 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.016 -20.746 -6.619 1.00 52.54 H new ATOM 480 N LEU A 35 57.121 -26.058 -7.191 1.00 65.12 N ATOM 481 CA LEU A 35 56.833 -27.361 -6.645 1.00 5.32 C ATOM 482 C LEU A 35 58.052 -27.980 -5.977 1.00 54.41 C ATOM 483 O LEU A 35 57.915 -28.615 -4.946 1.00 53.44 O ATOM 484 CB LEU A 35 56.280 -28.292 -7.702 1.00 2.42 C ATOM 485 CG LEU A 35 54.904 -27.930 -8.246 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.513 -28.903 -9.313 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.868 -27.938 -7.134 1.00 71.40 C ATOM 0 H LEU A 35 56.993 -25.986 -8.200 1.00 65.12 H new ATOM 0 HA LEU A 35 56.070 -27.219 -5.879 1.00 5.32 H new ATOM 0 HB2 LEU A 35 56.983 -28.325 -8.535 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.233 -29.298 -7.285 1.00 2.42 H new ATOM 0 HG LEU A 35 54.949 -26.926 -8.668 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.528 -28.642 -9.700 1.00 24.24 H new ATOM 0 HD12 LEU A 35 55.242 -28.868 -10.122 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.483 -29.909 -8.895 1.00 24.24 H new ATOM 0 HD21 LEU A 35 52.892 -27.677 -7.544 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.820 -28.932 -6.688 1.00 71.40 H new ATOM 0 HD23 LEU A 35 54.147 -27.211 -6.371 1.00 71.40 H new ATOM 499 N LYS A 36 59.252 -27.753 -6.532 1.00 42.34 N ATOM 500 CA LYS A 36 60.448 -28.339 -5.946 1.00 34.14 C ATOM 501 C LYS A 36 60.694 -27.739 -4.574 1.00 62.12 C ATOM 502 O LYS A 36 61.070 -28.449 -3.639 1.00 31.42 O ATOM 503 CB LYS A 36 61.725 -28.220 -6.839 1.00 22.41 C ATOM 504 CG LYS A 36 62.432 -26.862 -6.808 1.00 43.13 C ATOM 505 CD LYS A 36 63.709 -26.849 -7.634 1.00 75.31 C ATOM 506 CE LYS A 36 64.497 -25.548 -7.433 1.00 21.21 C ATOM 507 NZ LYS A 36 65.012 -25.406 -6.038 1.00 23.02 N ATOM 0 H LYS A 36 59.410 -27.183 -7.363 1.00 42.34 H new ATOM 0 HA LYS A 36 60.256 -29.408 -5.860 1.00 34.14 H new ATOM 0 HB2 LYS A 36 62.436 -28.986 -6.529 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.447 -28.441 -7.870 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.754 -26.095 -7.182 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.668 -26.603 -5.776 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.332 -27.699 -7.356 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.462 -26.966 -8.689 1.00 75.31 H new ATOM 0 HE2 LYS A 36 65.334 -25.521 -8.131 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.857 -24.698 -7.670 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.749 -24.673 -6.013 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.232 -25.134 -5.406 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.414 -26.312 -5.722 1.00 23.02 H new ATOM 521 N LEU A 37 60.431 -26.438 -4.430 1.00 21.34 N ATOM 522 CA LEU A 37 60.636 -25.810 -3.144 1.00 4.13 C ATOM 523 C LEU A 37 59.533 -26.232 -2.185 1.00 55.22 C ATOM 524 O LEU A 37 59.796 -26.545 -1.026 1.00 44.31 O ATOM 525 CB LEU A 37 60.808 -24.259 -3.253 1.00 20.40 C ATOM 526 CG LEU A 37 59.604 -23.378 -3.661 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.676 -23.099 -2.477 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.080 -22.078 -4.289 1.00 24.22 C ATOM 0 H LEU A 37 60.087 -25.824 -5.168 1.00 21.34 H new ATOM 0 HA LEU A 37 61.583 -26.160 -2.733 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.158 -23.902 -2.285 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.607 -24.070 -3.970 1.00 20.40 H new ATOM 0 HG LEU A 37 59.029 -23.933 -4.402 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.843 -22.477 -2.806 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.293 -24.041 -2.085 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.230 -22.580 -1.695 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.218 -21.472 -4.569 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.691 -21.530 -3.572 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.673 -22.298 -5.177 1.00 24.22 H new ATOM 540 N LEU A 38 58.312 -26.309 -2.708 1.00 2.01 N ATOM 541 CA LEU A 38 57.145 -26.693 -1.940 1.00 62.52 C ATOM 542 C LEU A 38 57.276 -28.112 -1.408 1.00 61.11 C ATOM 543 O LEU A 38 57.106 -28.351 -0.216 1.00 21.21 O ATOM 544 CB LEU A 38 55.859 -26.559 -2.781 1.00 42.14 C ATOM 545 CG LEU A 38 55.460 -25.141 -3.227 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.265 -25.190 -4.156 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.148 -24.257 -2.036 1.00 34.23 C ATOM 0 H LEU A 38 58.110 -26.103 -3.686 1.00 2.01 H new ATOM 0 HA LEU A 38 57.077 -26.013 -1.091 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.972 -27.175 -3.673 1.00 42.14 H new ATOM 0 HB3 LEU A 38 55.033 -26.978 -2.206 1.00 42.14 H new ATOM 0 HG LEU A 38 56.309 -24.713 -3.760 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.999 -24.178 -4.460 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.514 -25.780 -5.038 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.421 -25.648 -3.640 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.870 -23.262 -2.384 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.322 -24.688 -1.470 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.028 -24.185 -1.396 1.00 34.23 H new ATOM 559 N LYS A 39 57.629 -29.047 -2.265 1.00 4.41 N ATOM 560 CA LYS A 39 57.703 -30.436 -1.862 1.00 72.50 C ATOM 561 C LYS A 39 58.854 -30.646 -0.893 1.00 71.11 C ATOM 562 O LYS A 39 58.825 -31.566 -0.084 1.00 23.23 O ATOM 563 CB LYS A 39 57.823 -31.377 -3.068 1.00 34.33 C ATOM 564 CG LYS A 39 56.674 -31.306 -4.079 1.00 51.34 C ATOM 565 CD LYS A 39 55.329 -31.683 -3.478 1.00 50.31 C ATOM 566 CE LYS A 39 54.242 -31.663 -4.545 1.00 14.03 C ATOM 567 NZ LYS A 39 52.908 -32.039 -4.028 1.00 31.25 N ATOM 0 H LYS A 39 57.868 -28.872 -3.241 1.00 4.41 H new ATOM 0 HA LYS A 39 56.770 -30.683 -1.355 1.00 72.50 H new ATOM 0 HB2 LYS A 39 58.755 -31.155 -3.588 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.898 -32.401 -2.701 1.00 34.33 H new ATOM 0 HG2 LYS A 39 56.615 -30.295 -4.483 1.00 51.34 H new ATOM 0 HG3 LYS A 39 56.891 -31.971 -4.915 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.389 -32.675 -3.031 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.074 -30.988 -2.678 1.00 50.31 H new ATOM 0 HE2 LYS A 39 54.187 -30.665 -4.980 1.00 14.03 H new ATOM 0 HE3 LYS A 39 54.518 -32.346 -5.348 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.322 -32.399 -4.808 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.012 -32.778 -3.304 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 52.451 -31.205 -3.608 1.00 31.25 H new ATOM 581 N SER A 40 59.851 -29.771 -0.957 1.00 51.14 N ATOM 582 CA SER A 40 60.948 -29.832 -0.032 1.00 42.10 C ATOM 583 C SER A 40 60.518 -29.373 1.371 1.00 14.45 C ATOM 584 O SER A 40 60.994 -29.898 2.377 1.00 42.43 O ATOM 585 CB SER A 40 62.146 -29.010 -0.525 1.00 12.23 C ATOM 586 OG SER A 40 62.684 -29.531 -1.749 1.00 61.15 O ATOM 0 H SER A 40 59.912 -29.018 -1.642 1.00 51.14 H new ATOM 0 HA SER A 40 61.260 -30.874 0.031 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.839 -27.975 -0.675 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.922 -29.005 0.240 1.00 12.23 H new ATOM 0 HG SER A 40 62.160 -29.195 -2.506 1.00 61.15 H new ATOM 592 N VAL A 41 59.586 -28.436 1.437 1.00 11.22 N ATOM 593 CA VAL A 41 59.173 -27.866 2.721 1.00 71.41 C ATOM 594 C VAL A 41 57.919 -28.502 3.294 1.00 64.32 C ATOM 595 O VAL A 41 57.319 -27.975 4.235 1.00 51.12 O ATOM 596 CB VAL A 41 59.038 -26.327 2.676 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.388 -25.704 2.409 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.049 -25.903 1.610 1.00 74.11 C ATOM 0 H VAL A 41 59.101 -28.052 0.626 1.00 11.22 H new ATOM 0 HA VAL A 41 59.988 -28.108 3.403 1.00 71.41 H new ATOM 0 HB VAL A 41 58.666 -25.983 3.641 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.288 -24.619 2.378 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.081 -25.982 3.203 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.771 -26.061 1.453 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.971 -24.816 1.598 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.391 -26.253 0.636 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.072 -26.334 1.828 1.00 74.11 H new ATOM 608 N GLY A 42 57.545 -29.631 2.762 1.00 13.41 N ATOM 609 CA GLY A 42 56.439 -30.351 3.330 1.00 34.34 C ATOM 610 C GLY A 42 55.125 -30.068 2.674 1.00 74.23 C ATOM 611 O GLY A 42 54.089 -30.088 3.331 1.00 22.34 O ATOM 0 H GLY A 42 57.980 -30.068 1.950 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.643 -31.420 3.265 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.365 -30.105 4.389 1.00 34.34 H new ATOM 615 N ALA A 43 55.135 -29.827 1.387 1.00 52.43 N ATOM 616 CA ALA A 43 53.887 -29.613 0.679 1.00 31.35 C ATOM 617 C ALA A 43 53.247 -30.947 0.375 1.00 13.11 C ATOM 618 O ALA A 43 53.779 -31.745 -0.402 1.00 2.23 O ATOM 619 CB ALA A 43 54.095 -28.838 -0.598 1.00 2.41 C ATOM 0 H ALA A 43 55.975 -29.774 0.811 1.00 52.43 H new ATOM 0 HA ALA A 43 53.231 -29.023 1.319 1.00 31.35 H new ATOM 0 HB1 ALA A 43 53.137 -28.698 -1.099 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.529 -27.865 -0.367 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.770 -29.390 -1.253 1.00 2.41 H new ATOM 625 N GLN A 44 52.129 -31.187 0.991 1.00 11.11 N ATOM 626 CA GLN A 44 51.407 -32.437 0.849 1.00 14.10 C ATOM 627 C GLN A 44 50.477 -32.383 -0.350 1.00 41.31 C ATOM 628 O GLN A 44 50.082 -33.409 -0.897 1.00 14.35 O ATOM 629 CB GLN A 44 50.584 -32.681 2.108 1.00 34.11 C ATOM 630 CG GLN A 44 51.395 -32.669 3.385 1.00 12.52 C ATOM 631 CD GLN A 44 50.548 -32.912 4.610 1.00 43.54 C ATOM 632 OE1 GLN A 44 50.353 -34.055 5.033 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.031 -31.858 5.185 1.00 5.12 N ATOM 0 H GLN A 44 51.678 -30.519 1.616 1.00 11.11 H new ATOM 0 HA GLN A 44 52.124 -33.244 0.702 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.808 -31.919 2.176 1.00 34.11 H new ATOM 0 HB3 GLN A 44 50.079 -33.643 2.019 1.00 34.11 H new ATOM 0 HG2 GLN A 44 52.171 -33.433 3.326 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.900 -31.708 3.482 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.215 -30.929 4.806 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.444 -31.965 6.012 1.00 5.12 H new ATOM 642 N LYS A 45 50.161 -31.186 -0.770 1.00 34.22 N ATOM 643 CA LYS A 45 49.195 -30.967 -1.817 1.00 1.22 C ATOM 644 C LYS A 45 49.892 -30.403 -3.049 1.00 34.45 C ATOM 645 O LYS A 45 51.098 -30.097 -3.000 1.00 73.42 O ATOM 646 CB LYS A 45 48.111 -30.003 -1.298 1.00 41.14 C ATOM 647 CG LYS A 45 47.455 -30.497 -0.008 1.00 41.43 C ATOM 648 CD LYS A 45 46.472 -29.502 0.595 1.00 52.41 C ATOM 649 CE LYS A 45 45.240 -29.289 -0.273 1.00 2.42 C ATOM 650 NZ LYS A 45 44.245 -28.436 0.413 1.00 21.35 N ATOM 0 H LYS A 45 50.568 -30.330 -0.394 1.00 34.22 H new ATOM 0 HA LYS A 45 48.722 -31.907 -2.101 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.555 -29.023 -1.124 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.347 -29.875 -2.064 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.934 -31.433 -0.210 1.00 41.43 H new ATOM 0 HG3 LYS A 45 48.232 -30.717 0.724 1.00 41.43 H new ATOM 0 HD2 LYS A 45 46.161 -29.856 1.578 1.00 52.41 H new ATOM 0 HD3 LYS A 45 46.975 -28.547 0.744 1.00 52.41 H new ATOM 0 HE2 LYS A 45 45.531 -28.826 -1.216 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.792 -30.252 -0.516 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 43.416 -28.307 -0.201 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 43.951 -28.891 1.301 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.668 -27.509 0.622 1.00 21.35 H new ATOM 664 N ASP A 46 49.176 -30.317 -4.151 1.00 71.23 N ATOM 665 CA ASP A 46 49.734 -29.737 -5.384 1.00 33.11 C ATOM 666 C ASP A 46 49.072 -28.420 -5.690 1.00 43.41 C ATOM 667 O ASP A 46 49.446 -27.719 -6.631 1.00 45.42 O ATOM 668 CB ASP A 46 49.583 -30.665 -6.593 1.00 22.43 C ATOM 669 CG ASP A 46 50.300 -31.972 -6.436 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.544 -31.985 -6.325 1.00 45.24 O ATOM 671 OD2 ASP A 46 49.627 -33.013 -6.396 1.00 72.22 O ATOM 0 H ASP A 46 48.210 -30.636 -4.232 1.00 71.23 H new ATOM 0 HA ASP A 46 50.799 -29.592 -5.204 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.524 -30.859 -6.762 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.960 -30.157 -7.481 1.00 22.43 H new ATOM 676 N THR A 47 48.080 -28.090 -4.912 1.00 73.34 N ATOM 677 CA THR A 47 47.389 -26.849 -5.056 1.00 64.41 C ATOM 678 C THR A 47 47.333 -26.140 -3.742 1.00 71.43 C ATOM 679 O THR A 47 47.107 -26.759 -2.684 1.00 40.44 O ATOM 680 CB THR A 47 45.987 -27.035 -5.600 1.00 20.33 C ATOM 681 OG1 THR A 47 45.420 -28.254 -5.072 1.00 44.41 O ATOM 682 CG2 THR A 47 45.970 -27.044 -7.118 1.00 54.35 C ATOM 0 H THR A 47 47.730 -28.680 -4.158 1.00 73.34 H new ATOM 0 HA THR A 47 47.944 -26.249 -5.777 1.00 64.41 H new ATOM 0 HB THR A 47 45.380 -26.188 -5.279 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.513 -28.372 -5.423 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.947 -27.180 -7.470 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.360 -26.097 -7.492 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.591 -27.862 -7.484 1.00 54.35 H new ATOM 690 N TYR A 48 47.558 -24.871 -3.787 1.00 21.32 N ATOM 691 CA TYR A 48 47.624 -24.063 -2.611 1.00 72.11 C ATOM 692 C TYR A 48 47.085 -22.697 -2.903 1.00 63.32 C ATOM 693 O TYR A 48 46.980 -22.320 -4.060 1.00 44.22 O ATOM 694 CB TYR A 48 49.078 -23.959 -2.150 1.00 30.34 C ATOM 695 CG TYR A 48 49.603 -25.206 -1.480 1.00 40.51 C ATOM 696 CD1 TYR A 48 49.252 -25.487 -0.181 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.415 -26.109 -2.147 1.00 63.43 C ATOM 698 CE1 TYR A 48 49.682 -26.614 0.450 1.00 2.02 C ATOM 699 CE2 TYR A 48 50.849 -27.255 -1.520 1.00 12.51 C ATOM 700 CZ TYR A 48 50.474 -27.497 -0.214 1.00 2.34 C ATOM 701 OH TYR A 48 50.893 -28.629 0.430 1.00 72.12 O ATOM 0 H TYR A 48 47.704 -24.355 -4.655 1.00 21.32 H new ATOM 0 HA TYR A 48 47.025 -24.519 -1.823 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.706 -23.731 -3.011 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.170 -23.122 -1.458 1.00 30.34 H new ATOM 0 HD1 TYR A 48 48.618 -24.795 0.353 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.710 -25.912 -3.167 1.00 63.43 H new ATOM 0 HE1 TYR A 48 49.395 -26.806 1.473 1.00 2.02 H new ATOM 0 HE2 TYR A 48 51.478 -27.959 -2.046 1.00 12.51 H new ATOM 0 HH TYR A 48 50.221 -28.897 1.092 1.00 72.12 H new ATOM 711 N THR A 49 46.723 -21.977 -1.883 1.00 4.35 N ATOM 712 CA THR A 49 46.296 -20.619 -2.039 1.00 1.34 C ATOM 713 C THR A 49 47.542 -19.752 -1.989 1.00 15.00 C ATOM 714 O THR A 49 48.612 -20.249 -1.598 1.00 52.25 O ATOM 715 CB THR A 49 45.304 -20.206 -0.909 1.00 51.02 C ATOM 716 OG1 THR A 49 45.877 -20.484 0.381 1.00 64.22 O ATOM 717 CG2 THR A 49 43.981 -20.949 -1.033 1.00 61.52 C ATOM 0 H THR A 49 46.715 -22.314 -0.920 1.00 4.35 H new ATOM 0 HA THR A 49 45.769 -20.496 -2.985 1.00 1.34 H new ATOM 0 HB THR A 49 45.117 -19.137 -1.011 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.753 -21.432 0.596 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.312 -20.638 -0.230 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.524 -20.720 -1.995 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.158 -22.022 -0.962 1.00 61.52 H new ATOM 725 N MET A 50 47.448 -18.489 -2.381 1.00 21.14 N ATOM 726 CA MET A 50 48.591 -17.612 -2.308 1.00 1.43 C ATOM 727 C MET A 50 49.157 -17.529 -0.915 1.00 72.53 C ATOM 728 O MET A 50 50.352 -17.550 -0.752 1.00 74.21 O ATOM 729 CB MET A 50 48.314 -16.226 -2.838 1.00 22.31 C ATOM 730 CG MET A 50 48.117 -16.167 -4.334 1.00 4.50 C ATOM 731 SD MET A 50 48.545 -14.559 -4.994 1.00 33.11 S ATOM 732 CE MET A 50 50.277 -14.520 -4.520 1.00 73.31 C ATOM 0 H MET A 50 46.599 -18.059 -2.748 1.00 21.14 H new ATOM 0 HA MET A 50 49.338 -18.067 -2.959 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.423 -15.833 -2.349 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.142 -15.572 -2.565 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.729 -16.932 -4.812 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.078 -16.394 -4.574 1.00 4.50 H new ATOM 0 HE1 MET A 50 50.869 -14.112 -5.339 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.398 -13.893 -3.637 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.616 -15.532 -4.296 1.00 73.31 H new ATOM 742 N LYS A 51 48.285 -17.508 0.081 1.00 14.32 N ATOM 743 CA LYS A 51 48.693 -17.456 1.501 1.00 64.44 C ATOM 744 C LYS A 51 49.579 -18.648 1.823 1.00 30.11 C ATOM 745 O LYS A 51 50.511 -18.550 2.582 1.00 14.04 O ATOM 746 CB LYS A 51 47.464 -17.545 2.403 1.00 41.10 C ATOM 747 CG LYS A 51 46.374 -16.554 2.088 1.00 73.21 C ATOM 748 CD LYS A 51 45.185 -16.731 3.007 1.00 42.42 C ATOM 749 CE LYS A 51 44.077 -15.746 2.680 1.00 70.32 C ATOM 750 NZ LYS A 51 44.472 -14.345 2.913 1.00 25.31 N ATOM 0 H LYS A 51 47.275 -17.526 -0.058 1.00 14.32 H new ATOM 0 HA LYS A 51 49.224 -16.519 1.670 1.00 64.44 H new ATOM 0 HB2 LYS A 51 47.052 -18.552 2.333 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.779 -17.401 3.437 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.763 -15.540 2.185 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.057 -16.677 1.052 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.805 -17.749 2.920 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.500 -16.595 4.042 1.00 42.42 H new ATOM 0 HE2 LYS A 51 43.785 -15.868 1.637 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.201 -15.977 3.286 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.629 -13.780 3.141 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 45.144 -14.301 3.706 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.922 -13.964 2.056 1.00 25.31 H new ATOM 764 N GLU A 52 49.277 -19.766 1.218 1.00 55.54 N ATOM 765 CA GLU A 52 50.024 -20.965 1.443 1.00 75.23 C ATOM 766 C GLU A 52 51.358 -20.918 0.737 1.00 14.34 C ATOM 767 O GLU A 52 52.311 -21.550 1.174 1.00 34.14 O ATOM 768 CB GLU A 52 49.215 -22.170 1.070 1.00 51.14 C ATOM 769 CG GLU A 52 48.020 -22.368 1.969 1.00 60.21 C ATOM 770 CD GLU A 52 47.100 -23.416 1.461 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.280 -23.100 0.582 1.00 34.40 O ATOM 772 OE2 GLU A 52 47.160 -24.568 1.918 1.00 4.25 O ATOM 0 H GLU A 52 48.507 -19.867 0.557 1.00 55.54 H new ATOM 0 HA GLU A 52 50.242 -21.044 2.508 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.877 -22.071 0.039 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.848 -23.056 1.114 1.00 51.14 H new ATOM 0 HG2 GLU A 52 48.361 -22.640 2.968 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.479 -21.427 2.062 1.00 60.21 H new ATOM 779 N VAL A 53 51.448 -20.140 -0.332 1.00 43.32 N ATOM 780 CA VAL A 53 52.730 -19.925 -0.965 1.00 51.12 C ATOM 781 C VAL A 53 53.562 -19.129 0.010 1.00 21.10 C ATOM 782 O VAL A 53 54.660 -19.490 0.288 1.00 11.23 O ATOM 783 CB VAL A 53 52.610 -19.167 -2.292 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.950 -19.105 -2.993 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.561 -19.800 -3.176 1.00 10.42 C ATOM 0 H VAL A 53 50.662 -19.658 -0.769 1.00 43.32 H new ATOM 0 HA VAL A 53 53.185 -20.886 -1.205 1.00 51.12 H new ATOM 0 HB VAL A 53 52.295 -18.146 -2.078 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.844 -18.563 -3.933 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.670 -18.591 -2.357 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.302 -20.117 -3.195 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.492 -19.246 -4.112 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.837 -20.834 -3.385 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.596 -19.777 -2.669 1.00 10.42 H new ATOM 795 N LEU A 54 52.993 -18.061 0.556 1.00 70.30 N ATOM 796 CA LEU A 54 53.582 -17.328 1.638 1.00 2.43 C ATOM 797 C LEU A 54 54.066 -18.279 2.753 1.00 14.03 C ATOM 798 O LEU A 54 55.191 -18.182 3.211 1.00 21.52 O ATOM 799 CB LEU A 54 52.549 -16.337 2.182 1.00 11.33 C ATOM 800 CG LEU A 54 52.321 -15.039 1.380 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.980 -15.228 -0.084 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.342 -14.122 2.066 1.00 72.44 C ATOM 0 H LEU A 54 52.097 -17.685 0.246 1.00 70.30 H new ATOM 0 HA LEU A 54 54.454 -16.785 1.273 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.594 -16.856 2.262 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.847 -16.060 3.193 1.00 11.33 H new ATOM 0 HG LEU A 54 53.299 -14.558 1.368 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.840 -14.254 -0.554 1.00 70.35 H new ATOM 0 HD12 LEU A 54 52.793 -15.758 -0.581 1.00 70.35 H new ATOM 0 HD13 LEU A 54 51.062 -15.808 -0.172 1.00 70.35 H new ATOM 0 HD21 LEU A 54 51.209 -13.220 1.469 1.00 72.44 H new ATOM 0 HD22 LEU A 54 50.383 -14.629 2.175 1.00 72.44 H new ATOM 0 HD23 LEU A 54 51.724 -13.853 3.051 1.00 72.44 H new ATOM 814 N PHE A 55 53.258 -19.243 3.111 1.00 3.44 N ATOM 815 CA PHE A 55 53.645 -20.164 4.174 1.00 31.34 C ATOM 816 C PHE A 55 54.828 -21.034 3.762 1.00 34.30 C ATOM 817 O PHE A 55 55.891 -20.961 4.358 1.00 13.01 O ATOM 818 CB PHE A 55 52.483 -21.056 4.643 1.00 43.03 C ATOM 819 CG PHE A 55 51.267 -20.305 5.095 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.380 -19.086 5.748 1.00 13.12 C ATOM 821 CD2 PHE A 55 50.007 -20.814 4.854 1.00 43.53 C ATOM 822 CE1 PHE A 55 50.263 -18.398 6.139 1.00 72.04 C ATOM 823 CE2 PHE A 55 48.886 -20.129 5.249 1.00 44.21 C ATOM 824 CZ PHE A 55 49.013 -18.920 5.887 1.00 42.14 C ATOM 0 H PHE A 55 52.342 -19.418 2.698 1.00 3.44 H new ATOM 0 HA PHE A 55 53.942 -19.536 5.014 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.201 -21.722 3.828 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.832 -21.685 5.462 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.359 -18.676 5.950 1.00 13.12 H new ATOM 0 HD2 PHE A 55 49.902 -21.763 4.349 1.00 43.53 H new ATOM 0 HE1 PHE A 55 50.361 -17.448 6.644 1.00 72.04 H new ATOM 0 HE2 PHE A 55 47.906 -20.540 5.058 1.00 44.21 H new ATOM 0 HZ PHE A 55 48.131 -18.377 6.192 1.00 42.14 H new ATOM 834 N TYR A 56 54.657 -21.796 2.713 1.00 63.30 N ATOM 835 CA TYR A 56 55.651 -22.770 2.298 1.00 1.22 C ATOM 836 C TYR A 56 56.859 -22.148 1.594 1.00 62.54 C ATOM 837 O TYR A 56 57.992 -22.580 1.820 1.00 21.03 O ATOM 838 CB TYR A 56 55.028 -23.848 1.423 1.00 51.34 C ATOM 839 CG TYR A 56 53.994 -24.700 2.117 1.00 64.03 C ATOM 840 CD1 TYR A 56 52.667 -24.333 2.114 1.00 1.33 C ATOM 841 CD2 TYR A 56 54.348 -25.868 2.772 1.00 33.42 C ATOM 842 CE1 TYR A 56 51.714 -25.086 2.739 1.00 50.53 C ATOM 843 CE2 TYR A 56 53.394 -26.642 3.406 1.00 32.12 C ATOM 844 CZ TYR A 56 52.073 -26.239 3.383 1.00 61.21 C ATOM 845 OH TYR A 56 51.105 -26.993 4.006 1.00 44.45 O ATOM 0 H TYR A 56 53.829 -21.764 2.119 1.00 63.30 H new ATOM 0 HA TYR A 56 56.024 -23.222 3.217 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.567 -23.373 0.557 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.820 -24.495 1.047 1.00 51.34 H new ATOM 0 HD1 TYR A 56 52.372 -23.427 1.605 1.00 1.33 H new ATOM 0 HD2 TYR A 56 55.382 -26.178 2.788 1.00 33.42 H new ATOM 0 HE1 TYR A 56 50.681 -24.773 2.725 1.00 50.53 H new ATOM 0 HE2 TYR A 56 53.678 -27.552 3.914 1.00 32.12 H new ATOM 0 HH TYR A 56 51.518 -27.781 4.417 1.00 44.45 H new ATOM 855 N LEU A 57 56.640 -21.127 0.769 1.00 33.41 N ATOM 856 CA LEU A 57 57.743 -20.512 0.039 1.00 40.31 C ATOM 857 C LEU A 57 58.642 -19.807 1.048 1.00 40.54 C ATOM 858 O LEU A 57 59.874 -19.868 0.969 1.00 5.14 O ATOM 859 CB LEU A 57 57.225 -19.534 -1.060 1.00 53.03 C ATOM 860 CG LEU A 57 58.125 -19.280 -2.294 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.411 -18.418 -3.319 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.437 -18.637 -1.938 1.00 3.30 C ATOM 0 H LEU A 57 55.724 -20.714 0.591 1.00 33.41 H new ATOM 0 HA LEU A 57 58.314 -21.278 -0.486 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.267 -19.912 -1.418 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.031 -18.572 -0.585 1.00 53.03 H new ATOM 0 HG LEU A 57 58.337 -20.262 -2.717 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.065 -18.255 -4.176 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.502 -18.921 -3.647 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.153 -17.458 -2.871 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.025 -18.484 -2.843 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.253 -17.676 -1.458 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.986 -19.285 -1.254 1.00 3.30 H new ATOM 874 N GLY A 58 57.998 -19.218 2.047 1.00 34.05 N ATOM 875 CA GLY A 58 58.710 -18.533 3.106 1.00 74.30 C ATOM 876 C GLY A 58 59.552 -19.473 3.914 1.00 10.41 C ATOM 877 O GLY A 58 60.627 -19.088 4.388 1.00 32.52 O ATOM 0 H GLY A 58 56.983 -19.203 2.142 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.344 -17.758 2.675 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.995 -18.033 3.760 1.00 74.30 H new ATOM 881 N GLN A 59 59.079 -20.724 4.061 1.00 63.23 N ATOM 882 CA GLN A 59 59.838 -21.732 4.774 1.00 64.13 C ATOM 883 C GLN A 59 61.138 -21.933 4.063 1.00 12.12 C ATOM 884 O GLN A 59 62.181 -21.717 4.631 1.00 60.00 O ATOM 885 CB GLN A 59 59.127 -23.096 4.822 1.00 61.45 C ATOM 886 CG GLN A 59 57.737 -23.085 5.390 1.00 71.21 C ATOM 887 CD GLN A 59 57.653 -22.534 6.788 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.589 -22.649 7.600 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.560 -21.896 7.063 1.00 73.55 N ATOM 0 H GLN A 59 58.183 -21.045 3.695 1.00 63.23 H new ATOM 0 HA GLN A 59 59.965 -21.377 5.797 1.00 64.13 H new ATOM 0 HB2 GLN A 59 59.083 -23.498 3.810 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.735 -23.782 5.412 1.00 61.45 H new ATOM 0 HG2 GLN A 59 57.093 -22.494 4.738 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.346 -24.102 5.387 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.820 -21.828 6.365 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.440 -21.461 7.978 1.00 73.55 H new ATOM 898 N TYR A 60 61.039 -22.254 2.775 1.00 52.35 N ATOM 899 CA TYR A 60 62.181 -22.624 1.946 1.00 12.25 C ATOM 900 C TYR A 60 63.292 -21.589 1.986 1.00 54.12 C ATOM 901 O TYR A 60 64.452 -21.926 2.220 1.00 53.15 O ATOM 902 CB TYR A 60 61.746 -22.865 0.494 1.00 33.44 C ATOM 903 CG TYR A 60 62.836 -23.474 -0.356 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.060 -24.837 -0.320 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.647 -22.693 -1.182 1.00 22.44 C ATOM 906 CE1 TYR A 60 64.050 -25.414 -1.067 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.647 -23.271 -1.942 1.00 63.13 C ATOM 908 CZ TYR A 60 64.842 -24.635 -1.877 1.00 64.01 C ATOM 909 OH TYR A 60 65.841 -25.229 -2.615 1.00 62.05 O ATOM 0 H TYR A 60 60.151 -22.264 2.272 1.00 52.35 H new ATOM 0 HA TYR A 60 62.579 -23.549 2.364 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.876 -23.522 0.485 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.435 -21.919 0.052 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.441 -25.459 0.310 1.00 3.25 H new ATOM 0 HD2 TYR A 60 63.491 -21.625 -1.228 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.209 -26.481 -1.021 1.00 41.23 H new ATOM 0 HE2 TYR A 60 65.269 -22.661 -2.580 1.00 63.13 H new ATOM 0 HH TYR A 60 66.312 -24.546 -3.137 1.00 62.05 H new ATOM 919 N ILE A 61 62.926 -20.343 1.843 1.00 22.33 N ATOM 920 CA ILE A 61 63.903 -19.278 1.752 1.00 54.32 C ATOM 921 C ILE A 61 64.597 -19.124 3.088 1.00 22.41 C ATOM 922 O ILE A 61 65.812 -18.988 3.168 1.00 45.34 O ATOM 923 CB ILE A 61 63.252 -17.918 1.402 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.396 -18.008 0.145 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.329 -16.872 1.191 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.717 -16.694 -0.215 1.00 12.42 C ATOM 0 H ILE A 61 61.955 -20.034 1.786 1.00 22.33 H new ATOM 0 HA ILE A 61 64.603 -19.547 0.961 1.00 54.32 H new ATOM 0 HB ILE A 61 62.609 -17.638 2.236 1.00 71.30 H new ATOM 0 HG12 ILE A 61 63.020 -18.327 -0.690 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.635 -18.776 0.286 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.865 -15.917 0.945 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.917 -16.766 2.103 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.980 -17.180 0.373 1.00 71.24 H new ATOM 0 HD11 ILE A 61 61.123 -16.827 -1.119 1.00 12.42 H new ATOM 0 HD12 ILE A 61 61.067 -16.384 0.603 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.474 -15.929 -0.387 1.00 12.42 H new ATOM 938 N MET A 62 63.828 -19.194 4.119 1.00 72.44 N ATOM 939 CA MET A 62 64.320 -18.970 5.444 1.00 41.23 C ATOM 940 C MET A 62 65.079 -20.171 5.999 1.00 61.21 C ATOM 941 O MET A 62 66.199 -20.031 6.479 1.00 12.42 O ATOM 942 CB MET A 62 63.163 -18.631 6.333 1.00 32.32 C ATOM 943 CG MET A 62 63.504 -18.382 7.780 1.00 13.52 C ATOM 944 SD MET A 62 62.044 -17.987 8.757 1.00 44.31 S ATOM 945 CE MET A 62 60.973 -19.388 8.382 1.00 63.31 C ATOM 0 H MET A 62 62.832 -19.410 4.071 1.00 72.44 H new ATOM 0 HA MET A 62 65.031 -18.145 5.408 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.671 -17.743 5.936 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.440 -19.445 6.284 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.990 -19.265 8.195 1.00 13.52 H new ATOM 0 HG3 MET A 62 64.219 -17.562 7.848 1.00 13.52 H new ATOM 0 HE1 MET A 62 60.198 -19.468 9.145 1.00 63.31 H new ATOM 0 HE2 MET A 62 60.509 -19.240 7.407 1.00 63.31 H new ATOM 0 HE3 MET A 62 61.564 -20.304 8.367 1.00 63.31 H new ATOM 955 N THR A 63 64.484 -21.335 5.882 1.00 24.30 N ATOM 956 CA THR A 63 65.000 -22.551 6.488 1.00 13.21 C ATOM 957 C THR A 63 66.295 -23.018 5.810 1.00 64.20 C ATOM 958 O THR A 63 67.176 -23.582 6.455 1.00 74.44 O ATOM 959 CB THR A 63 63.913 -23.695 6.499 1.00 32.20 C ATOM 960 OG1 THR A 63 64.307 -24.752 7.369 1.00 73.21 O ATOM 961 CG2 THR A 63 63.670 -24.281 5.105 1.00 71.34 C ATOM 0 H THR A 63 63.619 -21.471 5.359 1.00 24.30 H new ATOM 0 HA THR A 63 65.243 -22.317 7.524 1.00 13.21 H new ATOM 0 HB THR A 63 62.988 -23.237 6.850 1.00 32.20 H new ATOM 0 HG1 THR A 63 63.621 -25.452 7.365 1.00 73.21 H new ATOM 0 HG21 THR A 63 62.914 -25.064 5.166 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.324 -23.494 4.435 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.599 -24.703 4.721 1.00 71.34 H new ATOM 969 N LYS A 64 66.426 -22.751 4.522 1.00 74.50 N ATOM 970 CA LYS A 64 67.618 -23.158 3.796 1.00 35.22 C ATOM 971 C LYS A 64 68.598 -22.019 3.782 1.00 24.12 C ATOM 972 O LYS A 64 69.769 -22.193 3.457 1.00 50.03 O ATOM 973 CB LYS A 64 67.273 -23.539 2.371 1.00 41.22 C ATOM 974 CG LYS A 64 66.171 -24.562 2.242 1.00 22.42 C ATOM 975 CD LYS A 64 66.528 -25.903 2.855 1.00 13.51 C ATOM 976 CE LYS A 64 65.371 -26.871 2.716 1.00 12.10 C ATOM 977 NZ LYS A 64 65.649 -28.173 3.338 1.00 42.24 N ATOM 0 H LYS A 64 65.730 -22.259 3.962 1.00 74.50 H new ATOM 0 HA LYS A 64 68.054 -24.025 4.293 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.981 -22.639 1.829 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.169 -23.926 1.886 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.270 -24.179 2.721 1.00 22.42 H new ATOM 0 HG3 LYS A 64 65.936 -24.703 1.187 1.00 22.42 H new ATOM 0 HD2 LYS A 64 67.412 -26.310 2.365 1.00 13.51 H new ATOM 0 HD3 LYS A 64 66.778 -25.774 3.908 1.00 13.51 H new ATOM 0 HE2 LYS A 64 64.481 -26.437 3.172 1.00 12.10 H new ATOM 0 HE3 LYS A 64 65.149 -27.017 1.659 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 64.827 -28.799 3.216 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 66.482 -28.603 2.887 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 65.835 -28.040 4.353 1.00 42.24 H new ATOM 991 N ARG A 65 68.090 -20.844 4.143 1.00 62.41 N ATOM 992 CA ARG A 65 68.884 -19.618 4.215 1.00 10.24 C ATOM 993 C ARG A 65 69.260 -19.066 2.860 1.00 55.32 C ATOM 994 O ARG A 65 70.405 -19.136 2.438 1.00 33.21 O ATOM 995 CB ARG A 65 70.119 -19.664 5.156 1.00 10.13 C ATOM 996 CG ARG A 65 69.822 -19.742 6.646 1.00 12.01 C ATOM 997 CD ARG A 65 69.311 -21.102 7.053 1.00 0.21 C ATOM 998 NE ARG A 65 68.972 -21.162 8.469 1.00 35.32 N ATOM 999 CZ ARG A 65 69.459 -22.056 9.326 1.00 62.31 C ATOM 1000 NH1 ARG A 65 70.459 -22.864 8.963 1.00 53.35 N ATOM 1001 NH2 ARG A 65 68.984 -22.110 10.559 1.00 23.34 N ATOM 0 H ARG A 65 67.110 -20.713 4.396 1.00 62.41 H new ATOM 0 HA ARG A 65 68.190 -18.922 4.686 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.727 -20.526 4.882 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.723 -18.776 4.973 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.727 -19.512 7.208 1.00 12.01 H new ATOM 0 HG3 ARG A 65 69.083 -18.984 6.908 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.431 -21.350 6.460 1.00 0.21 H new ATOM 0 HD3 ARG A 65 70.068 -21.854 6.830 1.00 0.21 H new ATOM 0 HE ARG A 65 68.315 -20.470 8.829 1.00 35.32 H new ATOM 0 HH11 ARG A 65 70.853 -22.798 8.025 1.00 53.35 H new ATOM 0 HH12 ARG A 65 70.828 -23.547 9.624 1.00 53.35 H new ATOM 0 HH21 ARG A 65 68.247 -21.468 10.850 1.00 23.34 H new ATOM 0 HH22 ARG A 65 69.355 -22.794 11.219 1.00 23.34 H new ATOM 1015 N LEU A 66 68.269 -18.609 2.148 1.00 53.51 N ATOM 1016 CA LEU A 66 68.473 -17.888 0.906 1.00 71.15 C ATOM 1017 C LEU A 66 68.212 -16.421 1.195 1.00 32.04 C ATOM 1018 O LEU A 66 68.177 -15.574 0.300 1.00 73.22 O ATOM 1019 CB LEU A 66 67.533 -18.379 -0.236 1.00 33.23 C ATOM 1020 CG LEU A 66 67.750 -19.790 -0.822 1.00 74.22 C ATOM 1021 CD1 LEU A 66 69.185 -20.005 -1.258 1.00 34.12 C ATOM 1022 CD2 LEU A 66 67.292 -20.878 0.124 1.00 42.44 C ATOM 0 H LEU A 66 67.289 -18.722 2.407 1.00 53.51 H new ATOM 0 HA LEU A 66 69.491 -18.060 0.557 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.509 -18.329 0.135 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.610 -17.665 -1.056 1.00 33.23 H new ATOM 0 HG LEU A 66 67.125 -19.856 -1.712 1.00 74.22 H new ATOM 0 HD11 LEU A 66 69.295 -21.010 -1.664 1.00 34.12 H new ATOM 0 HD12 LEU A 66 69.446 -19.274 -2.023 1.00 34.12 H new ATOM 0 HD13 LEU A 66 69.847 -19.886 -0.401 1.00 34.12 H new ATOM 0 HD21 LEU A 66 67.465 -21.853 -0.332 1.00 42.44 H new ATOM 0 HD22 LEU A 66 67.852 -20.809 1.056 1.00 42.44 H new ATOM 0 HD23 LEU A 66 66.228 -20.757 0.330 1.00 42.44 H new ATOM 1034 N TYR A 67 68.059 -16.141 2.469 1.00 50.33 N ATOM 1035 CA TYR A 67 67.721 -14.840 2.959 1.00 63.44 C ATOM 1036 C TYR A 67 68.966 -14.164 3.506 1.00 41.21 C ATOM 1037 O TYR A 67 70.037 -14.781 3.544 1.00 0.14 O ATOM 1038 CB TYR A 67 66.687 -14.985 4.077 1.00 32.51 C ATOM 1039 CG TYR A 67 65.684 -13.904 4.014 1.00 55.05 C ATOM 1040 CD1 TYR A 67 64.603 -14.058 3.215 1.00 24.21 C ATOM 1041 CD2 TYR A 67 65.849 -12.711 4.678 1.00 64.31 C ATOM 1042 CE1 TYR A 67 63.709 -13.077 3.051 1.00 3.00 C ATOM 1043 CE2 TYR A 67 64.935 -11.711 4.532 1.00 44.51 C ATOM 1044 CZ TYR A 67 63.866 -11.902 3.701 1.00 62.24 C ATOM 1045 OH TYR A 67 62.966 -10.901 3.484 1.00 52.04 O ATOM 0 H TYR A 67 68.171 -16.836 3.207 1.00 50.33 H new ATOM 0 HA TYR A 67 67.310 -14.236 2.150 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.190 -15.952 3.995 1.00 32.51 H new ATOM 0 HB3 TYR A 67 67.188 -14.965 5.045 1.00 32.51 H new ATOM 0 HD1 TYR A 67 64.459 -14.995 2.698 1.00 24.21 H new ATOM 0 HD2 TYR A 67 66.707 -12.566 5.318 1.00 64.31 H new ATOM 0 HE1 TYR A 67 62.861 -13.224 2.399 1.00 3.00 H new ATOM 0 HE2 TYR A 67 65.053 -10.780 5.066 1.00 44.51 H new ATOM 0 HH TYR A 67 62.697 -10.511 4.342 1.00 52.04 H new ATOM 1055 N ASP A 68 68.844 -12.909 3.899 1.00 63.44 N ATOM 1056 CA ASP A 68 69.938 -12.229 4.537 1.00 21.32 C ATOM 1057 C ASP A 68 70.021 -12.646 6.000 1.00 52.35 C ATOM 1058 O ASP A 68 69.024 -13.059 6.624 1.00 13.34 O ATOM 1059 CB ASP A 68 69.844 -10.690 4.422 1.00 1.00 C ATOM 1060 CG ASP A 68 71.105 -9.990 4.910 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.059 -9.806 4.145 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.182 -9.651 6.077 1.00 62.33 O ATOM 0 H ASP A 68 67.999 -12.349 3.785 1.00 63.44 H new ATOM 0 HA ASP A 68 70.847 -12.524 4.013 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.660 -10.417 3.383 1.00 1.00 H new ATOM 0 HB3 ASP A 68 68.990 -10.337 5.000 1.00 1.00 H new ATOM 1067 N GLU A 69 71.197 -12.526 6.510 1.00 63.22 N ATOM 1068 CA GLU A 69 71.573 -12.925 7.849 1.00 62.14 C ATOM 1069 C GLU A 69 70.998 -11.944 8.870 1.00 64.00 C ATOM 1070 O GLU A 69 70.486 -12.336 9.933 1.00 30.11 O ATOM 1071 CB GLU A 69 73.095 -12.841 7.946 1.00 42.41 C ATOM 1072 CG GLU A 69 73.809 -13.164 6.648 1.00 61.33 C ATOM 1073 CD GLU A 69 75.271 -12.901 6.716 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.663 -11.730 6.536 1.00 24.54 O ATOM 1075 OE2 GLU A 69 76.052 -13.843 6.930 1.00 52.31 O ATOM 0 H GLU A 69 71.976 -12.126 5.986 1.00 63.22 H new ATOM 0 HA GLU A 69 71.201 -13.930 8.049 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.375 -11.837 8.264 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.439 -13.527 8.720 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.644 -14.212 6.398 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.375 -12.572 5.842 1.00 61.33 H new ATOM 1082 N LYS A 70 71.064 -10.671 8.525 1.00 21.31 N ATOM 1083 CA LYS A 70 70.715 -9.605 9.427 1.00 43.13 C ATOM 1084 C LYS A 70 69.459 -8.849 9.017 1.00 3.23 C ATOM 1085 O LYS A 70 68.719 -8.344 9.877 1.00 14.52 O ATOM 1086 CB LYS A 70 71.885 -8.620 9.600 1.00 51.11 C ATOM 1087 CG LYS A 70 72.622 -8.289 8.324 1.00 5.05 C ATOM 1088 CD LYS A 70 73.978 -8.912 8.344 1.00 31.00 C ATOM 1089 CE LYS A 70 74.731 -8.665 7.041 1.00 65.43 C ATOM 1090 NZ LYS A 70 74.222 -9.473 5.901 1.00 33.03 N ATOM 0 H LYS A 70 71.364 -10.353 7.604 1.00 21.31 H new ATOM 0 HA LYS A 70 70.499 -10.087 10.381 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.503 -7.696 10.034 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.593 -9.039 10.315 1.00 51.11 H new ATOM 0 HG2 LYS A 70 72.059 -8.651 7.464 1.00 5.05 H new ATOM 0 HG3 LYS A 70 72.710 -7.208 8.215 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.552 -8.508 9.178 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.883 -9.985 8.512 1.00 31.00 H new ATOM 0 HE2 LYS A 70 74.663 -7.607 6.786 1.00 65.43 H new ATOM 0 HE3 LYS A 70 75.787 -8.889 7.192 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 74.549 -9.056 5.006 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 74.578 -10.447 5.979 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 73.182 -9.482 5.919 1.00 33.03 H new ATOM 1104 N GLN A 71 69.190 -8.784 7.733 1.00 50.03 N ATOM 1105 CA GLN A 71 68.049 -8.042 7.258 1.00 5.34 C ATOM 1106 C GLN A 71 66.884 -8.953 6.983 1.00 62.15 C ATOM 1107 O GLN A 71 67.010 -9.942 6.278 1.00 64.52 O ATOM 1108 CB GLN A 71 68.393 -7.206 6.034 1.00 3.32 C ATOM 1109 CG GLN A 71 69.472 -6.167 6.286 1.00 21.51 C ATOM 1110 CD GLN A 71 69.686 -5.263 5.105 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.503 -5.548 4.231 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.964 -4.173 5.065 1.00 3.50 N ATOM 0 H GLN A 71 69.743 -9.234 7.004 1.00 50.03 H new ATOM 0 HA GLN A 71 67.756 -7.354 8.051 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.720 -7.869 5.233 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.492 -6.703 5.684 1.00 3.32 H new ATOM 0 HG2 GLN A 71 69.199 -5.567 7.154 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.408 -6.671 6.528 1.00 21.51 H new ATOM 0 HE21 GLN A 71 68.298 -3.975 5.811 1.00 3.50 H new ATOM 0 HE22 GLN A 71 69.067 -3.521 4.287 1.00 3.50 H new ATOM 1121 N GLN A 72 65.757 -8.599 7.541 1.00 33.03 N ATOM 1122 CA GLN A 72 64.549 -9.375 7.431 1.00 64.41 C ATOM 1123 C GLN A 72 63.786 -9.070 6.164 1.00 73.12 C ATOM 1124 O GLN A 72 62.819 -9.745 5.872 1.00 1.14 O ATOM 1125 CB GLN A 72 63.656 -9.171 8.654 1.00 2.34 C ATOM 1126 CG GLN A 72 64.263 -9.685 9.943 1.00 64.34 C ATOM 1127 CD GLN A 72 64.488 -11.178 9.905 1.00 20.23 C ATOM 1128 OE1 GLN A 72 63.608 -11.957 10.275 1.00 21.44 O ATOM 1129 NE2 GLN A 72 65.644 -11.593 9.460 1.00 52.04 N ATOM 0 H GLN A 72 65.650 -7.749 8.094 1.00 33.03 H new ATOM 0 HA GLN A 72 64.849 -10.422 7.386 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.441 -8.108 8.763 1.00 2.34 H new ATOM 0 HB3 GLN A 72 62.704 -9.674 8.485 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.212 -9.180 10.124 1.00 64.34 H new ATOM 0 HG3 GLN A 72 63.606 -9.438 10.777 1.00 64.34 H new ATOM 0 HE21 GLN A 72 66.348 -10.918 9.162 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.842 -12.592 9.410 1.00 52.04 H new ATOM 1138 N HIS A 73 64.110 -7.959 5.494 1.00 20.12 N ATOM 1139 CA HIS A 73 63.514 -7.716 4.165 1.00 23.35 C ATOM 1140 C HIS A 73 64.415 -8.048 2.954 1.00 72.14 C ATOM 1141 O HIS A 73 63.979 -7.891 1.808 1.00 10.11 O ATOM 1142 CB HIS A 73 62.970 -6.275 4.042 1.00 41.31 C ATOM 1143 CG HIS A 73 63.987 -5.162 4.218 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.982 -4.308 5.292 1.00 32.14 N ATOM 1145 CD2 HIS A 73 65.016 -4.758 3.440 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.949 -3.434 5.180 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.601 -3.680 4.061 1.00 73.14 N ATOM 0 H HIS A 73 64.752 -7.239 5.826 1.00 20.12 H new ATOM 0 HA HIS A 73 62.693 -8.432 4.117 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.507 -6.165 3.061 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.182 -6.141 4.783 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.322 -5.200 2.504 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.174 -2.646 5.884 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.405 -3.158 3.714 1.00 73.14 H new ATOM 1155 N ILE A 74 65.633 -8.496 3.181 1.00 50.14 N ATOM 1156 CA ILE A 74 66.556 -8.744 2.061 1.00 22.31 C ATOM 1157 C ILE A 74 66.694 -10.223 1.731 1.00 55.40 C ATOM 1158 O ILE A 74 67.202 -11.006 2.525 1.00 73.00 O ATOM 1159 CB ILE A 74 67.962 -8.103 2.302 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.866 -6.579 2.292 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.992 -8.572 1.275 1.00 3.51 C ATOM 1162 CD1 ILE A 74 67.359 -6.002 0.983 1.00 73.44 C ATOM 0 H ILE A 74 66.013 -8.696 4.106 1.00 50.14 H new ATOM 0 HA ILE A 74 66.106 -8.256 1.196 1.00 22.31 H new ATOM 0 HB ILE A 74 68.301 -8.434 3.283 1.00 31.00 H new ATOM 0 HG12 ILE A 74 67.204 -6.261 3.098 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.850 -6.162 2.504 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.953 -8.101 1.482 1.00 3.51 H new ATOM 0 HG22 ILE A 74 69.099 -9.655 1.335 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.660 -8.295 0.274 1.00 3.51 H new ATOM 0 HD11 ILE A 74 67.319 -4.915 1.056 1.00 73.44 H new ATOM 0 HD12 ILE A 74 68.032 -6.287 0.175 1.00 73.44 H new ATOM 0 HD13 ILE A 74 66.361 -6.389 0.777 1.00 73.44 H new ATOM 1174 N VAL A 75 66.237 -10.600 0.563 1.00 45.43 N ATOM 1175 CA VAL A 75 66.333 -11.957 0.119 1.00 24.42 C ATOM 1176 C VAL A 75 67.367 -12.013 -0.970 1.00 52.54 C ATOM 1177 O VAL A 75 67.497 -11.060 -1.750 1.00 42.31 O ATOM 1178 CB VAL A 75 65.023 -12.439 -0.507 1.00 63.14 C ATOM 1179 CG1 VAL A 75 64.941 -13.935 -0.483 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.819 -11.796 0.129 1.00 11.12 C ATOM 0 H VAL A 75 65.789 -9.970 -0.103 1.00 45.43 H new ATOM 0 HA VAL A 75 66.579 -12.580 0.979 1.00 24.42 H new ATOM 0 HB VAL A 75 65.020 -12.124 -1.550 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.001 -14.255 -0.933 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.775 -14.354 -1.046 1.00 1.24 H new ATOM 0 HG13 VAL A 75 64.987 -14.285 0.548 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.913 -12.169 -0.348 1.00 11.12 H new ATOM 0 HG22 VAL A 75 63.796 -12.038 1.191 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.876 -10.715 0.005 1.00 11.12 H new ATOM 1190 N TYR A 76 68.104 -13.074 -1.029 1.00 5.33 N ATOM 1191 CA TYR A 76 69.055 -13.247 -2.080 1.00 2.23 C ATOM 1192 C TYR A 76 68.579 -14.292 -3.055 1.00 20.23 C ATOM 1193 O TYR A 76 68.184 -13.966 -4.160 1.00 22.13 O ATOM 1194 CB TYR A 76 70.438 -13.570 -1.529 1.00 71.42 C ATOM 1195 CG TYR A 76 71.008 -12.444 -0.714 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.529 -11.318 -1.333 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.000 -12.487 0.669 1.00 34.51 C ATOM 1198 CE1 TYR A 76 72.034 -10.270 -0.597 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.496 -11.444 1.406 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.010 -10.339 0.774 1.00 44.23 C ATOM 1201 OH TYR A 76 72.497 -9.296 1.525 1.00 11.02 O ATOM 0 H TYR A 76 68.066 -13.840 -0.356 1.00 5.33 H new ATOM 0 HA TYR A 76 69.144 -12.305 -2.621 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.380 -14.467 -0.913 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.112 -13.794 -2.356 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.539 -11.262 -2.412 1.00 72.11 H new ATOM 0 HD2 TYR A 76 70.598 -13.353 1.174 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.445 -9.403 -1.093 1.00 3.12 H new ATOM 0 HE2 TYR A 76 71.483 -11.491 2.485 1.00 53.13 H new ATOM 0 HH TYR A 76 72.433 -9.520 2.477 1.00 11.02 H new ATOM 1211 N CYS A 77 68.553 -15.547 -2.608 1.00 54.53 N ATOM 1212 CA CYS A 77 68.151 -16.685 -3.447 1.00 52.14 C ATOM 1213 C CYS A 77 69.023 -16.801 -4.693 1.00 4.33 C ATOM 1214 O CYS A 77 68.607 -17.354 -5.705 1.00 62.20 O ATOM 1215 CB CYS A 77 66.675 -16.585 -3.821 1.00 61.41 C ATOM 1216 SG CYS A 77 65.572 -16.578 -2.397 1.00 54.33 S ATOM 0 H CYS A 77 68.809 -15.808 -1.656 1.00 54.53 H new ATOM 0 HA CYS A 77 68.296 -17.594 -2.863 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.516 -15.674 -4.399 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.415 -17.423 -4.468 1.00 61.41 H new ATOM 0 HG CYS A 77 64.687 -15.636 -2.538 1.00 54.33 H new ATOM 1222 N SER A 78 70.258 -16.369 -4.570 1.00 74.53 N ATOM 1223 CA SER A 78 71.207 -16.383 -5.659 1.00 1.24 C ATOM 1224 C SER A 78 71.713 -17.817 -5.843 1.00 20.30 C ATOM 1225 O SER A 78 72.118 -18.240 -6.937 1.00 21.43 O ATOM 1226 CB SER A 78 72.357 -15.465 -5.277 1.00 41.00 C ATOM 1227 OG SER A 78 71.854 -14.245 -4.733 1.00 62.31 O ATOM 0 H SER A 78 70.636 -15.994 -3.700 1.00 74.53 H new ATOM 0 HA SER A 78 70.755 -16.043 -6.591 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.000 -15.959 -4.548 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.971 -15.255 -6.153 1.00 41.00 H new ATOM 0 HG SER A 78 71.372 -13.751 -5.428 1.00 62.31 H new ATOM 1233 N ASN A 79 71.649 -18.554 -4.751 1.00 41.54 N ATOM 1234 CA ASN A 79 72.032 -19.950 -4.684 1.00 73.42 C ATOM 1235 C ASN A 79 70.926 -20.836 -5.271 1.00 0.00 C ATOM 1236 O ASN A 79 71.155 -21.995 -5.623 1.00 53.23 O ATOM 1237 CB ASN A 79 72.307 -20.310 -3.211 1.00 72.51 C ATOM 1238 CG ASN A 79 72.649 -21.762 -2.993 1.00 60.42 C ATOM 1239 OD1 ASN A 79 73.803 -22.167 -3.067 1.00 34.51 O ATOM 1240 ND2 ASN A 79 71.667 -22.548 -2.685 1.00 12.14 N ATOM 0 H ASN A 79 71.319 -18.186 -3.859 1.00 41.54 H new ATOM 0 HA ASN A 79 72.933 -20.120 -5.273 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.128 -19.694 -2.843 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.429 -20.060 -2.616 1.00 72.51 H new ATOM 0 HD21 ASN A 79 71.844 -23.535 -2.496 1.00 12.14 H new ATOM 0 HD22 ASN A 79 70.717 -22.180 -2.631 1.00 12.14 H new ATOM 1247 N ASP A 80 69.744 -20.280 -5.418 1.00 63.10 N ATOM 1248 CA ASP A 80 68.613 -21.036 -5.923 1.00 44.31 C ATOM 1249 C ASP A 80 68.169 -20.462 -7.277 1.00 54.24 C ATOM 1250 O ASP A 80 68.752 -19.487 -7.768 1.00 62.42 O ATOM 1251 CB ASP A 80 67.455 -21.060 -4.885 1.00 54.35 C ATOM 1252 CG ASP A 80 66.280 -21.945 -5.313 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.386 -23.188 -5.248 1.00 31.11 O ATOM 1254 OD2 ASP A 80 65.267 -21.412 -5.786 1.00 51.55 O ATOM 0 H ASP A 80 69.538 -19.306 -5.196 1.00 63.10 H new ATOM 0 HA ASP A 80 68.913 -22.072 -6.081 1.00 44.31 H new ATOM 0 HB2 ASP A 80 67.840 -21.415 -3.929 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.097 -20.043 -4.726 1.00 54.35 H new ATOM 1259 N LEU A 81 67.180 -21.058 -7.873 1.00 71.31 N ATOM 1260 CA LEU A 81 66.707 -20.681 -9.166 1.00 11.32 C ATOM 1261 C LEU A 81 65.567 -19.645 -9.037 1.00 12.11 C ATOM 1262 O LEU A 81 65.413 -18.816 -9.910 1.00 75.03 O ATOM 1263 CB LEU A 81 66.263 -21.984 -9.913 1.00 25.11 C ATOM 1264 CG LEU A 81 65.959 -21.951 -11.439 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.667 -21.242 -11.762 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.117 -21.333 -12.212 1.00 21.25 C ATOM 0 H LEU A 81 66.669 -21.839 -7.461 1.00 71.31 H new ATOM 0 HA LEU A 81 67.491 -20.197 -9.748 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.044 -22.728 -9.756 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.367 -22.352 -9.414 1.00 25.11 H new ATOM 0 HG LEU A 81 65.839 -22.988 -11.753 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.507 -21.250 -12.840 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.839 -21.751 -11.269 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.720 -20.211 -11.411 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.880 -21.322 -13.276 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.282 -20.313 -11.866 1.00 21.25 H new ATOM 0 HD23 LEU A 81 68.019 -21.922 -12.048 1.00 21.25 H new ATOM 1278 N LEU A 82 64.824 -19.658 -7.901 1.00 22.23 N ATOM 1279 CA LEU A 82 63.608 -18.803 -7.730 1.00 31.14 C ATOM 1280 C LEU A 82 63.880 -17.304 -8.019 1.00 51.53 C ATOM 1281 O LEU A 82 63.092 -16.636 -8.705 1.00 75.13 O ATOM 1282 CB LEU A 82 62.956 -19.005 -6.306 1.00 51.31 C ATOM 1283 CG LEU A 82 63.551 -18.217 -5.105 1.00 44.45 C ATOM 1284 CD1 LEU A 82 62.979 -16.799 -5.024 1.00 51.52 C ATOM 1285 CD2 LEU A 82 63.340 -18.936 -3.785 1.00 64.25 C ATOM 0 H LEU A 82 65.038 -20.243 -7.093 1.00 22.23 H new ATOM 0 HA LEU A 82 62.891 -19.136 -8.480 1.00 31.14 H new ATOM 0 HB2 LEU A 82 61.900 -18.745 -6.384 1.00 51.31 H new ATOM 0 HB3 LEU A 82 63.006 -20.067 -6.065 1.00 51.31 H new ATOM 0 HG LEU A 82 64.624 -18.152 -5.285 1.00 44.45 H new ATOM 0 HD11 LEU A 82 63.417 -16.278 -4.173 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.215 -16.259 -5.941 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.897 -16.850 -4.900 1.00 51.52 H new ATOM 0 HD21 LEU A 82 63.773 -18.347 -2.976 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.272 -19.066 -3.608 1.00 64.25 H new ATOM 0 HD23 LEU A 82 63.823 -19.912 -3.821 1.00 64.25 H new ATOM 1297 N GLY A 83 64.998 -16.792 -7.508 1.00 33.33 N ATOM 1298 CA GLY A 83 65.311 -15.392 -7.693 1.00 13.41 C ATOM 1299 C GLY A 83 65.677 -15.122 -9.111 1.00 23.02 C ATOM 1300 O GLY A 83 65.119 -14.213 -9.769 1.00 63.21 O ATOM 0 H GLY A 83 65.686 -17.321 -6.973 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.454 -14.781 -7.410 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.135 -15.108 -7.038 1.00 13.41 H new ATOM 1304 N ASP A 84 66.550 -15.973 -9.619 1.00 74.23 N ATOM 1305 CA ASP A 84 67.060 -15.867 -10.974 1.00 72.30 C ATOM 1306 C ASP A 84 65.901 -15.881 -11.944 1.00 60.45 C ATOM 1307 O ASP A 84 65.852 -15.078 -12.841 1.00 21.25 O ATOM 1308 CB ASP A 84 68.032 -17.015 -11.268 1.00 32.43 C ATOM 1309 CG ASP A 84 68.734 -16.887 -12.605 1.00 23.04 C ATOM 1310 OD1 ASP A 84 69.703 -16.088 -12.714 1.00 12.11 O ATOM 1311 OD2 ASP A 84 68.408 -17.629 -13.548 1.00 34.12 O ATOM 0 H ASP A 84 66.928 -16.764 -9.098 1.00 74.23 H new ATOM 0 HA ASP A 84 67.605 -14.930 -11.086 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.780 -17.058 -10.477 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.486 -17.958 -11.242 1.00 32.43 H new ATOM 1316 N LEU A 85 64.926 -16.742 -11.636 1.00 51.32 N ATOM 1317 CA LEU A 85 63.679 -16.977 -12.348 1.00 55.15 C ATOM 1318 C LEU A 85 62.874 -15.710 -12.532 1.00 45.10 C ATOM 1319 O LEU A 85 62.289 -15.484 -13.597 1.00 62.02 O ATOM 1320 CB LEU A 85 62.906 -17.938 -11.495 1.00 35.13 C ATOM 1321 CG LEU A 85 61.619 -18.479 -12.007 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.799 -19.154 -13.361 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.066 -19.444 -10.980 1.00 34.22 C ATOM 0 H LEU A 85 65.001 -17.339 -10.812 1.00 51.32 H new ATOM 0 HA LEU A 85 63.883 -17.360 -13.348 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.557 -18.785 -11.280 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.701 -17.444 -10.545 1.00 35.13 H new ATOM 0 HG LEU A 85 60.914 -17.662 -12.160 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.839 -19.538 -13.706 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.180 -18.430 -14.081 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.507 -19.978 -13.266 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.121 -19.853 -11.337 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.776 -20.256 -10.824 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.902 -18.919 -10.039 1.00 34.22 H new ATOM 1335 N PHE A 86 62.825 -14.885 -11.495 1.00 13.22 N ATOM 1336 CA PHE A 86 62.123 -13.603 -11.583 1.00 14.21 C ATOM 1337 C PHE A 86 62.912 -12.663 -12.476 1.00 25.43 C ATOM 1338 O PHE A 86 62.424 -11.640 -12.959 1.00 74.23 O ATOM 1339 CB PHE A 86 61.997 -13.011 -10.219 1.00 60.11 C ATOM 1340 CG PHE A 86 60.988 -11.896 -10.145 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.687 -12.105 -10.568 1.00 61.20 C ATOM 1342 CD2 PHE A 86 61.344 -10.641 -9.682 1.00 60.04 C ATOM 1343 CE1 PHE A 86 58.759 -11.092 -10.527 1.00 21.42 C ATOM 1344 CE2 PHE A 86 60.417 -9.621 -9.642 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.121 -9.852 -10.064 1.00 2.54 C ATOM 0 H PHE A 86 63.257 -15.073 -10.590 1.00 13.22 H new ATOM 0 HA PHE A 86 61.129 -13.756 -12.002 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.715 -13.794 -9.515 1.00 60.11 H new ATOM 0 HB3 PHE A 86 62.969 -12.633 -9.903 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.397 -13.078 -10.936 1.00 61.20 H new ATOM 0 HD2 PHE A 86 62.355 -10.459 -9.350 1.00 60.04 H new ATOM 0 HE1 PHE A 86 57.747 -11.272 -10.859 1.00 21.42 H new ATOM 0 HE2 PHE A 86 60.703 -8.644 -9.282 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.392 -9.055 -10.029 1.00 2.54 H new ATOM 1355 N GLY A 87 64.116 -13.038 -12.660 1.00 24.41 N ATOM 1356 CA GLY A 87 65.034 -12.343 -13.535 1.00 31.24 C ATOM 1357 C GLY A 87 65.944 -11.477 -12.752 1.00 3.13 C ATOM 1358 O GLY A 87 66.387 -10.425 -13.221 1.00 20.13 O ATOM 0 H GLY A 87 64.522 -13.855 -12.205 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.615 -13.065 -14.109 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.476 -11.740 -14.252 1.00 31.24 H new ATOM 1362 N VAL A 88 66.256 -11.932 -11.565 1.00 0.24 N ATOM 1363 CA VAL A 88 67.058 -11.137 -10.626 1.00 65.43 C ATOM 1364 C VAL A 88 68.037 -11.981 -9.823 1.00 62.04 C ATOM 1365 O VAL A 88 67.900 -13.183 -9.745 1.00 2.43 O ATOM 1366 CB VAL A 88 66.175 -10.294 -9.647 1.00 34.42 C ATOM 1367 CG1 VAL A 88 65.564 -9.091 -10.340 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.084 -11.139 -9.030 1.00 52.45 C ATOM 0 H VAL A 88 65.974 -12.846 -11.212 1.00 0.24 H new ATOM 0 HA VAL A 88 67.630 -10.455 -11.255 1.00 65.43 H new ATOM 0 HB VAL A 88 66.833 -9.936 -8.855 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.958 -8.530 -9.628 1.00 53.13 H new ATOM 0 HG12 VAL A 88 66.358 -8.451 -10.724 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.937 -9.427 -11.166 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.487 -10.526 -8.355 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.445 -11.539 -9.817 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.532 -11.962 -8.473 1.00 52.45 H new ATOM 1378 N PRO A 89 69.076 -11.358 -9.241 1.00 11.32 N ATOM 1379 CA PRO A 89 70.018 -12.070 -8.395 1.00 74.43 C ATOM 1380 C PRO A 89 69.563 -12.126 -6.929 1.00 61.01 C ATOM 1381 O PRO A 89 70.074 -12.923 -6.152 1.00 1.24 O ATOM 1382 CB PRO A 89 71.289 -11.235 -8.523 1.00 25.13 C ATOM 1383 CG PRO A 89 70.813 -9.835 -8.752 1.00 40.51 C ATOM 1384 CD PRO A 89 69.462 -9.934 -9.422 1.00 22.11 C ATOM 0 HA PRO A 89 70.134 -13.111 -8.695 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.897 -11.302 -7.621 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.907 -11.582 -9.351 1.00 25.13 H new ATOM 0 HG2 PRO A 89 70.737 -9.294 -7.809 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.516 -9.286 -9.379 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.738 -9.262 -8.962 1.00 22.11 H new ATOM 0 HD3 PRO A 89 69.519 -9.667 -10.477 1.00 22.11 H new ATOM 1392 N SER A 90 68.605 -11.285 -6.579 1.00 72.45 N ATOM 1393 CA SER A 90 68.098 -11.167 -5.224 1.00 0.12 C ATOM 1394 C SER A 90 66.753 -10.447 -5.264 1.00 72.25 C ATOM 1395 O SER A 90 66.353 -9.991 -6.338 1.00 42.34 O ATOM 1396 CB SER A 90 69.119 -10.395 -4.380 1.00 14.22 C ATOM 1397 OG SER A 90 69.482 -9.172 -5.013 1.00 32.43 O ATOM 0 H SER A 90 68.151 -10.655 -7.240 1.00 72.45 H new ATOM 0 HA SER A 90 67.951 -12.149 -4.774 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.701 -10.189 -3.395 1.00 14.22 H new ATOM 0 HB3 SER A 90 70.008 -11.008 -4.227 1.00 14.22 H new ATOM 0 HG SER A 90 70.133 -8.696 -4.456 1.00 32.43 H new ATOM 1403 N PHE A 91 66.062 -10.312 -4.130 1.00 22.52 N ATOM 1404 CA PHE A 91 64.774 -9.619 -4.130 1.00 23.10 C ATOM 1405 C PHE A 91 64.446 -9.108 -2.731 1.00 42.12 C ATOM 1406 O PHE A 91 65.012 -9.576 -1.757 1.00 74.32 O ATOM 1407 CB PHE A 91 63.614 -10.502 -4.711 1.00 64.21 C ATOM 1408 CG PHE A 91 62.957 -11.538 -3.794 1.00 51.33 C ATOM 1409 CD1 PHE A 91 61.905 -11.151 -2.981 1.00 11.25 C ATOM 1410 CD2 PHE A 91 63.322 -12.893 -3.793 1.00 4.31 C ATOM 1411 CE1 PHE A 91 61.243 -12.053 -2.188 1.00 2.33 C ATOM 1412 CE2 PHE A 91 62.639 -13.797 -3.000 1.00 61.22 C ATOM 1413 CZ PHE A 91 61.604 -13.376 -2.199 1.00 72.40 C ATOM 0 H PHE A 91 66.364 -10.664 -3.221 1.00 22.52 H new ATOM 0 HA PHE A 91 64.864 -8.762 -4.798 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.832 -9.831 -5.067 1.00 64.21 H new ATOM 0 HB3 PHE A 91 64.003 -11.029 -5.582 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.599 -10.115 -2.971 1.00 11.25 H new ATOM 0 HD2 PHE A 91 64.139 -13.231 -4.413 1.00 4.31 H new ATOM 0 HE1 PHE A 91 60.435 -11.721 -1.553 1.00 2.33 H new ATOM 0 HE2 PHE A 91 62.920 -14.840 -3.010 1.00 61.22 H new ATOM 0 HZ PHE A 91 61.076 -14.086 -1.579 1.00 72.40 H new ATOM 1423 N SER A 92 63.596 -8.128 -2.631 1.00 13.21 N ATOM 1424 CA SER A 92 63.215 -7.600 -1.341 1.00 63.42 C ATOM 1425 C SER A 92 61.689 -7.672 -1.137 1.00 12.35 C ATOM 1426 O SER A 92 60.917 -7.192 -1.972 1.00 65.40 O ATOM 1427 CB SER A 92 63.725 -6.182 -1.233 1.00 64.34 C ATOM 1428 OG SER A 92 65.118 -6.134 -1.560 1.00 72.34 O ATOM 0 H SER A 92 63.149 -7.673 -3.427 1.00 13.21 H new ATOM 0 HA SER A 92 63.661 -8.204 -0.551 1.00 63.42 H new ATOM 0 HB2 SER A 92 63.163 -5.533 -1.905 1.00 64.34 H new ATOM 0 HB3 SER A 92 63.568 -5.807 -0.222 1.00 64.34 H new ATOM 0 HG SER A 92 65.439 -5.211 -1.489 1.00 72.34 H new ATOM 1434 N VAL A 93 61.275 -8.268 -0.014 1.00 15.21 N ATOM 1435 CA VAL A 93 59.869 -8.539 0.301 1.00 44.32 C ATOM 1436 C VAL A 93 58.927 -7.311 0.388 1.00 70.53 C ATOM 1437 O VAL A 93 57.716 -7.484 0.349 1.00 62.34 O ATOM 1438 CB VAL A 93 59.759 -9.366 1.586 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.490 -10.667 1.415 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.326 -8.610 2.767 1.00 71.25 C ATOM 0 H VAL A 93 61.918 -8.581 0.713 1.00 15.21 H new ATOM 0 HA VAL A 93 59.513 -9.096 -0.565 1.00 44.32 H new ATOM 0 HB VAL A 93 58.704 -9.562 1.780 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.410 -11.253 2.331 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.051 -11.225 0.588 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.540 -10.469 1.202 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.236 -9.219 3.666 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.377 -8.386 2.585 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.775 -7.680 2.902 1.00 71.25 H new ATOM 1450 N LYS A 94 59.459 -6.088 0.513 1.00 25.30 N ATOM 1451 CA LYS A 94 58.581 -4.895 0.589 1.00 34.12 C ATOM 1452 C LYS A 94 57.929 -4.571 -0.742 1.00 43.13 C ATOM 1453 O LYS A 94 56.948 -3.819 -0.802 1.00 62.22 O ATOM 1454 CB LYS A 94 59.292 -3.659 1.143 1.00 44.32 C ATOM 1455 CG LYS A 94 59.188 -3.406 2.669 1.00 11.41 C ATOM 1456 CD LYS A 94 59.703 -4.544 3.563 1.00 61.24 C ATOM 1457 CE LYS A 94 58.653 -5.629 3.834 1.00 64.21 C ATOM 1458 NZ LYS A 94 57.438 -5.095 4.497 1.00 40.32 N ATOM 0 H LYS A 94 60.459 -5.893 0.563 1.00 25.30 H new ATOM 0 HA LYS A 94 57.798 -5.166 1.297 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.348 -3.732 0.884 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.898 -2.783 0.628 1.00 44.32 H new ATOM 0 HG2 LYS A 94 59.744 -2.499 2.908 1.00 11.41 H new ATOM 0 HG3 LYS A 94 58.144 -3.215 2.918 1.00 11.41 H new ATOM 0 HD2 LYS A 94 60.573 -5.001 3.092 1.00 61.24 H new ATOM 0 HD3 LYS A 94 60.037 -4.127 4.513 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.371 -6.100 2.892 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.092 -6.406 4.460 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 56.941 -5.867 4.985 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 57.711 -4.367 5.188 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 56.809 -4.676 3.783 1.00 40.32 H new ATOM 1472 N GLU A 95 58.446 -5.133 -1.796 1.00 41.22 N ATOM 1473 CA GLU A 95 57.871 -4.955 -3.095 1.00 25.25 C ATOM 1474 C GLU A 95 56.836 -6.027 -3.312 1.00 44.21 C ATOM 1475 O GLU A 95 57.057 -7.031 -3.981 1.00 11.24 O ATOM 1476 CB GLU A 95 58.910 -5.016 -4.140 1.00 62.12 C ATOM 1477 CG GLU A 95 59.948 -3.910 -4.055 1.00 1.24 C ATOM 1478 CD GLU A 95 59.367 -2.563 -4.390 1.00 20.02 C ATOM 1479 OE1 GLU A 95 59.333 -2.209 -5.589 1.00 30.24 O ATOM 1480 OE2 GLU A 95 58.938 -1.827 -3.478 1.00 35.23 O ATOM 0 H GLU A 95 59.276 -5.726 -1.778 1.00 41.22 H new ATOM 0 HA GLU A 95 57.402 -3.973 -3.156 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.416 -5.979 -4.077 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.429 -4.972 -5.117 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.368 -3.884 -3.049 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.769 -4.130 -4.737 1.00 1.24 H new ATOM 1487 N HIS A 96 55.731 -5.775 -2.734 1.00 61.03 N ATOM 1488 CA HIS A 96 54.630 -6.722 -2.587 1.00 22.11 C ATOM 1489 C HIS A 96 54.054 -7.173 -3.913 1.00 24.20 C ATOM 1490 O HIS A 96 53.803 -8.359 -4.101 1.00 4.12 O ATOM 1491 CB HIS A 96 53.518 -6.177 -1.668 1.00 0.11 C ATOM 1492 CG HIS A 96 53.990 -5.759 -0.295 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.591 -4.590 0.318 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.824 -6.365 0.579 1.00 64.43 C ATOM 1495 CE1 HIS A 96 54.156 -4.493 1.499 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.910 -5.554 1.689 1.00 71.43 N ATOM 0 H HIS A 96 55.529 -4.865 -2.319 1.00 61.03 H new ATOM 0 HA HIS A 96 55.064 -7.602 -2.112 1.00 22.11 H new ATOM 0 HB2 HIS A 96 53.050 -5.321 -2.154 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.749 -6.941 -1.557 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.329 -7.309 0.434 1.00 64.43 H new ATOM 0 HE1 HIS A 96 54.024 -3.679 2.197 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.467 -5.745 2.522 1.00 71.43 H new ATOM 1504 N ARG A 97 53.873 -6.251 -4.855 1.00 61.45 N ATOM 1505 CA ARG A 97 53.313 -6.628 -6.152 1.00 2.00 C ATOM 1506 C ARG A 97 54.269 -7.498 -6.928 1.00 60.51 C ATOM 1507 O ARG A 97 53.850 -8.373 -7.691 1.00 63.44 O ATOM 1508 CB ARG A 97 52.859 -5.449 -7.011 1.00 25.22 C ATOM 1509 CG ARG A 97 51.709 -4.638 -6.443 1.00 31.52 C ATOM 1510 CD ARG A 97 51.038 -3.838 -7.552 1.00 61.22 C ATOM 1511 NE ARG A 97 50.398 -4.741 -8.535 1.00 52.14 N ATOM 1512 CZ ARG A 97 50.399 -4.588 -9.864 1.00 35.43 C ATOM 1513 NH1 ARG A 97 50.921 -3.494 -10.417 1.00 32.04 N ATOM 1514 NH2 ARG A 97 49.861 -5.528 -10.640 1.00 50.15 N ATOM 0 H ARG A 97 54.099 -5.262 -4.751 1.00 61.45 H new ATOM 0 HA ARG A 97 52.412 -7.194 -5.914 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.709 -4.785 -7.165 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.567 -5.826 -7.991 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.984 -5.301 -5.972 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.076 -3.965 -5.668 1.00 31.52 H new ATOM 0 HD2 ARG A 97 50.291 -3.170 -7.124 1.00 61.22 H new ATOM 0 HD3 ARG A 97 51.776 -3.212 -8.053 1.00 61.22 H new ATOM 0 HE ARG A 97 49.910 -5.557 -8.164 1.00 52.14 H new ATOM 0 HH11 ARG A 97 51.323 -2.766 -9.826 1.00 32.04 H new ATOM 0 HH12 ARG A 97 50.918 -3.384 -11.431 1.00 32.04 H new ATOM 0 HH21 ARG A 97 49.450 -6.362 -10.220 1.00 50.15 H new ATOM 0 HH22 ARG A 97 49.860 -5.414 -11.654 1.00 50.15 H new ATOM 1528 N LYS A 98 55.553 -7.299 -6.701 1.00 3.30 N ATOM 1529 CA LYS A 98 56.562 -8.121 -7.339 1.00 1.24 C ATOM 1530 C LYS A 98 56.572 -9.493 -6.750 1.00 33.20 C ATOM 1531 O LYS A 98 56.889 -10.440 -7.424 1.00 63.32 O ATOM 1532 CB LYS A 98 57.956 -7.485 -7.336 1.00 62.12 C ATOM 1533 CG LYS A 98 58.239 -6.609 -8.561 1.00 4.31 C ATOM 1534 CD LYS A 98 57.304 -5.423 -8.688 1.00 4.22 C ATOM 1535 CE LYS A 98 57.580 -4.379 -7.627 1.00 21.35 C ATOM 1536 NZ LYS A 98 58.977 -3.891 -7.650 1.00 63.10 N ATOM 0 H LYS A 98 55.921 -6.577 -6.081 1.00 3.30 H new ATOM 0 HA LYS A 98 56.285 -8.201 -8.390 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.068 -6.881 -6.436 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.705 -8.275 -7.285 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.266 -6.247 -8.509 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.161 -7.220 -9.460 1.00 4.31 H new ATOM 0 HD2 LYS A 98 57.414 -4.976 -9.676 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.272 -5.763 -8.605 1.00 4.22 H new ATOM 0 HE2 LYS A 98 56.904 -3.536 -7.769 1.00 21.35 H new ATOM 0 HE3 LYS A 98 57.363 -4.800 -6.645 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 59.035 -2.982 -7.149 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 59.595 -4.584 -7.182 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 59.284 -3.764 -8.635 1.00 63.10 H new ATOM 1550 N ILE A 99 56.168 -9.595 -5.504 1.00 54.20 N ATOM 1551 CA ILE A 99 56.060 -10.885 -4.853 1.00 3.41 C ATOM 1552 C ILE A 99 54.915 -11.663 -5.498 1.00 32.52 C ATOM 1553 O ILE A 99 55.066 -12.820 -5.853 1.00 34.24 O ATOM 1554 CB ILE A 99 55.781 -10.756 -3.327 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.787 -9.807 -2.651 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.790 -12.124 -2.655 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.240 -10.150 -2.875 1.00 13.25 C ATOM 0 H ILE A 99 55.908 -8.801 -4.919 1.00 54.20 H new ATOM 0 HA ILE A 99 57.012 -11.402 -4.974 1.00 3.41 H new ATOM 0 HB ILE A 99 54.787 -10.325 -3.208 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.608 -8.795 -3.014 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.592 -9.800 -1.579 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.593 -12.007 -1.589 1.00 53.21 H new ATOM 0 HG22 ILE A 99 55.019 -12.753 -3.100 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.765 -12.591 -2.794 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.869 -9.424 -2.360 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.443 -11.147 -2.485 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.459 -10.126 -3.943 1.00 13.25 H new ATOM 1569 N TYR A 100 53.789 -10.986 -5.702 1.00 43.11 N ATOM 1570 CA TYR A 100 52.597 -11.627 -6.283 1.00 15.13 C ATOM 1571 C TYR A 100 52.887 -12.078 -7.684 1.00 34.44 C ATOM 1572 O TYR A 100 52.588 -13.206 -8.062 1.00 3.54 O ATOM 1573 CB TYR A 100 51.393 -10.687 -6.352 1.00 21.14 C ATOM 1574 CG TYR A 100 51.080 -9.941 -5.093 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.152 -10.549 -3.849 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.742 -8.605 -5.153 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.892 -9.839 -2.706 1.00 71.11 C ATOM 1578 CE2 TYR A 100 50.484 -7.884 -4.022 1.00 62.13 C ATOM 1579 CZ TYR A 100 50.559 -8.493 -2.802 1.00 51.34 C ATOM 1580 OH TYR A 100 50.299 -7.756 -1.675 1.00 40.22 O ATOM 0 H TYR A 100 53.669 -9.998 -5.477 1.00 43.11 H new ATOM 0 HA TYR A 100 52.356 -12.465 -5.629 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.566 -9.963 -7.148 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.516 -11.269 -6.635 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.416 -11.594 -3.780 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.680 -8.118 -6.115 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.945 -10.320 -1.741 1.00 71.11 H new ATOM 0 HE2 TYR A 100 50.222 -6.839 -4.092 1.00 62.13 H new ATOM 0 HH TYR A 100 50.936 -7.999 -0.971 1.00 40.22 H new ATOM 1590 N THR A 101 53.526 -11.216 -8.435 1.00 71.31 N ATOM 1591 CA THR A 101 53.795 -11.493 -9.813 1.00 4.12 C ATOM 1592 C THR A 101 54.901 -12.528 -9.975 1.00 22.22 C ATOM 1593 O THR A 101 54.913 -13.270 -10.928 1.00 14.53 O ATOM 1594 CB THR A 101 54.066 -10.210 -10.627 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.003 -9.364 -9.939 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.772 -9.447 -10.874 1.00 55.24 C ATOM 0 H THR A 101 53.869 -10.313 -8.107 1.00 71.31 H new ATOM 0 HA THR A 101 52.889 -11.932 -10.231 1.00 4.12 H new ATOM 0 HB THR A 101 54.491 -10.504 -11.587 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.549 -8.906 -9.201 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.985 -8.546 -11.449 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.078 -10.077 -11.431 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.325 -9.171 -9.919 1.00 55.24 H new ATOM 1604 N MET A 102 55.782 -12.597 -8.992 1.00 34.35 N ATOM 1605 CA MET A 102 56.868 -13.582 -8.940 1.00 63.42 C ATOM 1606 C MET A 102 56.277 -14.975 -8.858 1.00 13.22 C ATOM 1607 O MET A 102 56.767 -15.929 -9.489 1.00 73.13 O ATOM 1608 CB MET A 102 57.703 -13.307 -7.692 1.00 43.15 C ATOM 1609 CG MET A 102 59.012 -14.053 -7.573 1.00 11.42 C ATOM 1610 SD MET A 102 59.906 -13.580 -6.071 1.00 45.04 S ATOM 1611 CE MET A 102 59.931 -11.776 -6.224 1.00 54.24 C ATOM 0 H MET A 102 55.770 -11.964 -8.192 1.00 34.35 H new ATOM 0 HA MET A 102 57.490 -13.510 -9.832 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.916 -12.239 -7.653 1.00 43.15 H new ATOM 0 HB3 MET A 102 57.096 -13.543 -6.818 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.822 -15.126 -7.562 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.631 -13.848 -8.447 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.798 -11.378 -5.697 1.00 54.24 H new ATOM 0 HE2 MET A 102 59.989 -11.501 -7.277 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.021 -11.361 -5.790 1.00 54.24 H new ATOM 1621 N ILE A 103 55.185 -15.058 -8.127 1.00 3.21 N ATOM 1622 CA ILE A 103 54.487 -16.297 -7.906 1.00 52.20 C ATOM 1623 C ILE A 103 53.606 -16.581 -9.118 1.00 5.52 C ATOM 1624 O ILE A 103 53.637 -17.666 -9.675 1.00 70.30 O ATOM 1625 CB ILE A 103 53.614 -16.215 -6.614 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.489 -15.824 -5.407 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.933 -17.555 -6.350 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.716 -15.507 -4.131 1.00 2.12 C ATOM 0 H ILE A 103 54.756 -14.255 -7.667 1.00 3.21 H new ATOM 0 HA ILE A 103 55.209 -17.103 -7.772 1.00 52.20 H new ATOM 0 HB ILE A 103 52.848 -15.453 -6.759 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.184 -16.638 -5.201 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.088 -14.955 -5.677 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.328 -17.484 -5.446 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.294 -17.811 -7.195 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.690 -18.328 -6.219 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.416 -15.243 -3.338 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.041 -14.671 -4.313 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.138 -16.381 -3.829 1.00 2.12 H new ATOM 1640 N TYR A 104 52.876 -15.558 -9.553 1.00 40.11 N ATOM 1641 CA TYR A 104 51.967 -15.635 -10.692 1.00 44.15 C ATOM 1642 C TYR A 104 52.683 -16.024 -11.994 1.00 13.14 C ATOM 1643 O TYR A 104 52.147 -16.755 -12.811 1.00 40.12 O ATOM 1644 CB TYR A 104 51.178 -14.313 -10.807 1.00 10.23 C ATOM 1645 CG TYR A 104 50.995 -13.786 -12.201 1.00 54.34 C ATOM 1646 CD1 TYR A 104 49.931 -14.182 -12.993 1.00 54.33 C ATOM 1647 CD2 TYR A 104 51.907 -12.890 -12.716 1.00 23.41 C ATOM 1648 CE1 TYR A 104 49.784 -13.690 -14.274 1.00 5.31 C ATOM 1649 CE2 TYR A 104 51.772 -12.390 -13.992 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.706 -12.794 -14.769 1.00 60.51 C ATOM 1651 OH TYR A 104 50.566 -12.302 -16.048 1.00 1.15 O ATOM 0 H TYR A 104 52.900 -14.637 -9.116 1.00 40.11 H new ATOM 0 HA TYR A 104 51.256 -16.442 -10.518 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.194 -14.458 -10.360 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.688 -13.553 -10.215 1.00 10.23 H new ATOM 0 HD1 TYR A 104 49.208 -14.884 -12.604 1.00 54.33 H new ATOM 0 HD2 TYR A 104 52.742 -12.575 -12.108 1.00 23.41 H new ATOM 0 HE1 TYR A 104 48.951 -14.006 -14.885 1.00 5.31 H new ATOM 0 HE2 TYR A 104 52.494 -11.688 -14.381 1.00 54.14 H new ATOM 0 HH TYR A 104 51.299 -11.681 -16.242 1.00 1.15 H new ATOM 1661 N ARG A 105 53.908 -15.571 -12.128 1.00 53.53 N ATOM 1662 CA ARG A 105 54.756 -15.823 -13.301 1.00 5.51 C ATOM 1663 C ARG A 105 55.163 -17.300 -13.340 1.00 13.24 C ATOM 1664 O ARG A 105 55.672 -17.815 -14.343 1.00 2.23 O ATOM 1665 CB ARG A 105 55.985 -14.915 -13.170 1.00 24.32 C ATOM 1666 CG ARG A 105 56.970 -14.880 -14.319 1.00 13.52 C ATOM 1667 CD ARG A 105 58.024 -13.825 -14.014 1.00 62.13 C ATOM 1668 NE ARG A 105 59.024 -13.663 -15.066 1.00 23.52 N ATOM 1669 CZ ARG A 105 59.726 -12.537 -15.271 1.00 63.44 C ATOM 1670 NH1 ARG A 105 59.452 -11.451 -14.566 1.00 4.40 N ATOM 1671 NH2 ARG A 105 60.669 -12.490 -16.197 1.00 43.11 N ATOM 0 H ARG A 105 54.366 -15.002 -11.415 1.00 53.53 H new ATOM 0 HA ARG A 105 54.227 -15.607 -14.229 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.632 -13.898 -13.002 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.528 -15.216 -12.274 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.437 -15.856 -14.449 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.457 -14.646 -15.252 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.528 -12.869 -13.848 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.529 -14.088 -13.085 1.00 62.13 H new ATOM 0 HE ARG A 105 59.200 -14.455 -15.684 1.00 23.52 H new ATOM 0 HH11 ARG A 105 58.708 -11.470 -13.868 1.00 4.40 H new ATOM 0 HH12 ARG A 105 59.984 -10.595 -14.721 1.00 4.40 H new ATOM 0 HH21 ARG A 105 60.869 -13.314 -16.764 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.196 -11.629 -16.345 1.00 43.11 H new ATOM 1685 N ASN A 106 54.936 -17.972 -12.243 1.00 14.40 N ATOM 1686 CA ASN A 106 55.271 -19.349 -12.118 1.00 75.13 C ATOM 1687 C ASN A 106 54.090 -20.213 -11.765 1.00 64.35 C ATOM 1688 O ASN A 106 54.249 -21.388 -11.428 1.00 43.10 O ATOM 1689 CB ASN A 106 56.429 -19.572 -11.185 1.00 32.11 C ATOM 1690 CG ASN A 106 57.731 -19.113 -11.788 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.371 -19.861 -12.526 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.158 -17.907 -11.465 1.00 61.11 N ATOM 0 H ASN A 106 54.510 -17.568 -11.409 1.00 14.40 H new ATOM 0 HA ASN A 106 55.594 -19.666 -13.109 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.252 -19.037 -10.252 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.497 -20.631 -10.937 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.047 -17.566 -11.830 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.599 -17.316 -10.850 1.00 61.11 H new ATOM 1699 N LEU A 107 52.920 -19.650 -11.802 1.00 34.24 N ATOM 1700 CA LEU A 107 51.733 -20.432 -11.544 1.00 22.31 C ATOM 1701 C LEU A 107 50.795 -20.315 -12.727 1.00 22.33 C ATOM 1702 O LEU A 107 50.775 -19.294 -13.423 1.00 3.21 O ATOM 1703 CB LEU A 107 51.039 -20.006 -10.227 1.00 10.31 C ATOM 1704 CG LEU A 107 50.181 -18.736 -10.261 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.736 -19.039 -10.622 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.262 -17.991 -8.969 1.00 33.10 C ATOM 0 H LEU A 107 52.755 -18.664 -12.005 1.00 34.24 H new ATOM 0 HA LEU A 107 52.020 -21.476 -11.416 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.407 -20.831 -9.897 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.810 -19.872 -9.468 1.00 10.31 H new ATOM 0 HG LEU A 107 50.588 -18.097 -11.045 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.162 -18.112 -10.635 1.00 53.04 H new ATOM 0 HD12 LEU A 107 48.697 -19.504 -11.607 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.311 -19.718 -9.883 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.643 -17.096 -9.026 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.906 -18.628 -8.159 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.296 -17.705 -8.778 1.00 33.10 H new ATOM 1718 N VAL A 108 50.039 -21.324 -12.958 1.00 63.11 N ATOM 1719 CA VAL A 108 49.120 -21.337 -14.064 1.00 1.01 C ATOM 1720 C VAL A 108 47.674 -21.258 -13.596 1.00 71.42 C ATOM 1721 O VAL A 108 47.251 -21.985 -12.697 1.00 31.43 O ATOM 1722 CB VAL A 108 49.349 -22.525 -15.058 1.00 35.03 C ATOM 1723 CG1 VAL A 108 50.721 -22.419 -15.703 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.197 -23.882 -14.381 1.00 72.10 C ATOM 0 H VAL A 108 50.030 -22.172 -12.392 1.00 63.11 H new ATOM 0 HA VAL A 108 49.333 -20.434 -14.636 1.00 1.01 H new ATOM 0 HB VAL A 108 48.579 -22.452 -15.826 1.00 35.03 H new ATOM 0 HG11 VAL A 108 50.865 -23.252 -16.391 1.00 45.42 H new ATOM 0 HG12 VAL A 108 50.794 -21.479 -16.250 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.489 -22.450 -14.931 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.365 -24.674 -15.111 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.926 -23.970 -13.576 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.191 -23.974 -13.971 1.00 72.10 H new ATOM 1794 N THR B 305 59.979 -9.482 12.098 1.00 33.52 N ATOM 1795 CA THR B 305 60.451 -10.785 11.765 1.00 3.31 C ATOM 1796 C THR B 305 59.976 -11.169 10.359 1.00 54.44 C ATOM 1797 O THR B 305 58.795 -10.921 10.006 1.00 34.54 O ATOM 1798 CB THR B 305 60.000 -11.828 12.837 1.00 43.20 C ATOM 1799 OG1 THR B 305 60.456 -13.147 12.504 1.00 13.01 O ATOM 1800 CG2 THR B 305 58.487 -11.837 13.020 1.00 31.13 C ATOM 0 HA THR B 305 61.541 -10.780 11.762 1.00 3.31 H new ATOM 0 HB THR B 305 60.456 -11.524 13.779 1.00 43.20 H new ATOM 0 HG1 THR B 305 60.161 -13.779 13.193 1.00 13.01 H new ATOM 0 HG21 THR B 305 58.216 -12.576 13.774 1.00 31.13 H new ATOM 0 HG22 THR B 305 58.154 -10.851 13.343 1.00 31.13 H new ATOM 0 HG23 THR B 305 58.008 -12.091 12.075 1.00 31.13 H new ATOM 1808 N PHE B 306 60.874 -11.765 9.562 1.00 23.43 N ATOM 1809 CA PHE B 306 60.561 -12.217 8.202 1.00 31.21 C ATOM 1810 C PHE B 306 59.319 -13.102 8.171 1.00 61.12 C ATOM 1811 O PHE B 306 58.444 -12.922 7.319 1.00 3.43 O ATOM 1812 CB PHE B 306 61.763 -12.962 7.573 1.00 53.41 C ATOM 1813 CG PHE B 306 61.455 -13.619 6.241 1.00 65.10 C ATOM 1814 CD1 PHE B 306 60.975 -12.872 5.177 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.646 -14.986 6.060 1.00 42.23 C ATOM 1816 CE1 PHE B 306 60.685 -13.464 3.964 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.361 -15.586 4.851 1.00 4.02 C ATOM 1818 CZ PHE B 306 60.877 -14.828 3.800 1.00 41.22 C ATOM 0 H PHE B 306 61.837 -11.947 9.843 1.00 23.43 H new ATOM 0 HA PHE B 306 60.353 -11.326 7.610 1.00 31.21 H new ATOM 0 HB2 PHE B 306 62.583 -12.257 7.437 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.110 -13.724 8.271 1.00 53.41 H new ATOM 0 HD1 PHE B 306 60.825 -11.809 5.299 1.00 73.14 H new ATOM 0 HD2 PHE B 306 62.022 -15.584 6.877 1.00 42.23 H new ATOM 0 HE1 PHE B 306 60.310 -12.867 3.146 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.516 -16.647 4.725 1.00 4.02 H new ATOM 0 HZ PHE B 306 60.649 -15.297 2.854 1.00 41.22 H new ATOM 1828 N GLU B 307 59.220 -13.994 9.142 1.00 22.24 N ATOM 1829 CA GLU B 307 58.129 -14.964 9.217 1.00 73.43 C ATOM 1830 C GLU B 307 56.762 -14.295 9.233 1.00 33.30 C ATOM 1831 O GLU B 307 55.809 -14.793 8.636 1.00 31.35 O ATOM 1832 CB GLU B 307 58.271 -15.822 10.457 1.00 34.14 C ATOM 1833 CG GLU B 307 59.574 -16.556 10.542 1.00 23.45 C ATOM 1834 CD GLU B 307 59.640 -17.479 11.724 1.00 64.23 C ATOM 1835 OE1 GLU B 307 59.199 -18.632 11.620 1.00 13.13 O ATOM 1836 OE2 GLU B 307 60.147 -17.076 12.779 1.00 53.15 O ATOM 0 H GLU B 307 59.893 -14.070 9.905 1.00 22.24 H new ATOM 0 HA GLU B 307 58.196 -15.582 8.321 1.00 73.43 H new ATOM 0 HB2 GLU B 307 58.163 -15.190 11.338 1.00 34.14 H new ATOM 0 HB3 GLU B 307 57.456 -16.545 10.482 1.00 34.14 H new ATOM 0 HG2 GLU B 307 59.723 -17.131 9.628 1.00 23.45 H new ATOM 0 HG3 GLU B 307 60.390 -15.835 10.602 1.00 23.45 H new ATOM 1843 N HIS B 308 56.674 -13.143 9.854 1.00 4.31 N ATOM 1844 CA HIS B 308 55.386 -12.511 9.988 1.00 63.23 C ATOM 1845 C HIS B 308 55.118 -11.647 8.794 1.00 43.42 C ATOM 1846 O HIS B 308 54.052 -11.723 8.202 1.00 4.03 O ATOM 1847 CB HIS B 308 55.276 -11.662 11.256 1.00 63.24 C ATOM 1848 CG HIS B 308 53.844 -11.295 11.584 1.00 24.31 C ATOM 1849 ND1 HIS B 308 53.381 -10.004 11.674 1.00 22.21 N ATOM 1850 CD2 HIS B 308 52.771 -12.087 11.821 1.00 2.42 C ATOM 1851 CE1 HIS B 308 52.096 -10.009 11.940 1.00 61.43 C ATOM 1852 NE2 HIS B 308 51.692 -11.263 12.034 1.00 65.13 N ATOM 0 H HIS B 308 57.458 -12.636 10.265 1.00 4.31 H new ATOM 0 HA HIS B 308 54.646 -13.308 10.058 1.00 63.23 H new ATOM 0 HB2 HIS B 308 55.709 -12.208 12.094 1.00 63.24 H new ATOM 0 HB3 HIS B 308 55.862 -10.751 11.132 1.00 63.24 H new ATOM 0 HD2 HIS B 308 52.765 -13.167 11.839 1.00 2.42 H new ATOM 0 HE1 HIS B 308 51.474 -9.135 12.062 1.00 61.43 H new ATOM 0 HE2 HIS B 308 50.739 -11.569 12.232 1.00 65.13 H new ATOM 1860 N LEU B 309 56.107 -10.871 8.416 1.00 64.14 N ATOM 1861 CA LEU B 309 55.953 -9.898 7.363 1.00 52.01 C ATOM 1862 C LEU B 309 55.747 -10.533 5.978 1.00 42.30 C ATOM 1863 O LEU B 309 55.056 -9.980 5.133 1.00 13.44 O ATOM 1864 CB LEU B 309 57.088 -8.844 7.423 1.00 30.00 C ATOM 1865 CG LEU B 309 58.551 -9.318 7.320 1.00 51.22 C ATOM 1866 CD1 LEU B 309 58.920 -9.756 5.922 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.498 -8.247 7.816 1.00 12.40 C ATOM 0 H LEU B 309 57.039 -10.897 8.830 1.00 64.14 H new ATOM 0 HA LEU B 309 55.022 -9.359 7.537 1.00 52.01 H new ATOM 0 HB2 LEU B 309 56.916 -8.128 6.619 1.00 30.00 H new ATOM 0 HB3 LEU B 309 56.983 -8.300 8.362 1.00 30.00 H new ATOM 0 HG LEU B 309 58.647 -10.194 7.961 1.00 51.22 H new ATOM 0 HD11 LEU B 309 59.961 -10.080 5.905 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.278 -10.582 5.618 1.00 10.42 H new ATOM 0 HD13 LEU B 309 58.788 -8.922 5.233 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.525 -8.603 7.734 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.377 -7.347 7.213 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.275 -8.019 8.858 1.00 12.40 H new ATOM 1879 N TRP B 310 56.296 -11.714 5.783 1.00 43.14 N ATOM 1880 CA TRP B 310 56.156 -12.435 4.529 1.00 14.01 C ATOM 1881 C TRP B 310 54.772 -13.054 4.454 1.00 31.23 C ATOM 1882 O TRP B 310 54.143 -13.072 3.415 1.00 14.12 O ATOM 1883 CB TRP B 310 57.266 -13.497 4.403 1.00 43.11 C ATOM 1884 CG TRP B 310 57.154 -14.423 3.218 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.665 -15.674 3.239 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.542 -14.179 1.856 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.718 -16.231 1.985 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.241 -15.340 1.123 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.104 -13.108 1.192 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.481 -15.456 -0.236 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.344 -13.218 -0.163 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.031 -14.385 -0.864 1.00 52.42 C ATOM 0 H TRP B 310 56.851 -12.203 6.486 1.00 43.14 H new ATOM 0 HA TRP B 310 56.265 -11.747 3.691 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.228 -12.986 4.352 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.272 -14.099 5.312 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.284 -16.172 4.118 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.409 -17.173 1.745 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.352 -12.200 1.723 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.241 -16.361 -0.774 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.783 -12.385 -0.692 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.230 -14.436 -1.924 1.00 52.42 H new ATOM 1903 N SER B 311 54.278 -13.491 5.583 1.00 14.42 N ATOM 1904 CA SER B 311 52.974 -14.097 5.648 1.00 14.14 C ATOM 1905 C SER B 311 51.876 -13.006 5.669 1.00 41.41 C ATOM 1906 O SER B 311 50.692 -13.283 5.506 1.00 31.14 O ATOM 1907 CB SER B 311 52.897 -14.974 6.894 1.00 42.43 C ATOM 1908 OG SER B 311 53.992 -15.893 6.930 1.00 14.24 O ATOM 0 H SER B 311 54.765 -13.438 6.478 1.00 14.42 H new ATOM 0 HA SER B 311 52.810 -14.716 4.766 1.00 14.14 H new ATOM 0 HB2 SER B 311 52.910 -14.349 7.787 1.00 42.43 H new ATOM 0 HB3 SER B 311 51.955 -15.522 6.902 1.00 42.43 H new ATOM 0 HG SER B 311 54.635 -15.609 7.613 1.00 14.24 H new ATOM 1914 N SER B 312 52.301 -11.770 5.835 1.00 1.11 N ATOM 1915 CA SER B 312 51.403 -10.653 5.949 1.00 11.44 C ATOM 1916 C SER B 312 51.595 -9.673 4.794 1.00 60.40 C ATOM 1917 O SER B 312 51.189 -8.509 4.879 1.00 41.34 O ATOM 1918 CB SER B 312 51.644 -9.958 7.289 1.00 21.31 C ATOM 1919 OG SER B 312 51.429 -10.869 8.369 1.00 22.34 O ATOM 0 H SER B 312 53.287 -11.517 5.894 1.00 1.11 H new ATOM 0 HA SER B 312 50.376 -11.015 5.903 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.663 -9.572 7.328 1.00 21.31 H new ATOM 0 HB3 SER B 312 50.975 -9.103 7.388 1.00 21.31 H new ATOM 0 HG SER B 312 52.262 -11.348 8.564 1.00 22.34 H new ATOM 1925 N LEU B 313 52.204 -10.122 3.708 1.00 4.23 N ATOM 1926 CA LEU B 313 52.434 -9.226 2.590 1.00 14.51 C ATOM 1927 C LEU B 313 51.307 -9.227 1.572 1.00 52.23 C ATOM 1928 O LEU B 313 51.432 -8.624 0.508 1.00 52.02 O ATOM 1929 CB LEU B 313 53.821 -9.425 1.947 1.00 61.41 C ATOM 1930 CG LEU B 313 54.222 -10.811 1.416 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.399 -11.256 0.210 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.685 -10.793 1.070 1.00 23.23 C ATOM 0 H LEU B 313 52.540 -11.076 3.579 1.00 4.23 H new ATOM 0 HA LEU B 313 52.435 -8.223 3.016 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.899 -8.723 1.117 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.567 -9.130 2.685 1.00 61.41 H new ATOM 0 HG LEU B 313 54.020 -11.537 2.204 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.733 -12.242 -0.115 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.345 -11.302 0.486 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.530 -10.542 -0.603 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.982 -11.771 0.692 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.869 -10.038 0.306 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.267 -10.557 1.961 1.00 23.23 H new ATOM 1944 N GLU B 314 50.205 -9.879 1.911 1.00 50.02 N ATOM 1945 CA GLU B 314 49.024 -9.897 1.054 1.00 22.11 C ATOM 1946 C GLU B 314 48.376 -8.531 1.025 1.00 24.03 C ATOM 1947 O GLU B 314 48.522 -7.760 1.977 1.00 52.11 O ATOM 1948 CB GLU B 314 47.992 -10.893 1.553 1.00 41.12 C ATOM 1949 CG GLU B 314 48.366 -12.326 1.377 1.00 31.33 C ATOM 1950 CD GLU B 314 47.277 -13.227 1.849 1.00 73.45 C ATOM 1951 OE1 GLU B 314 46.354 -13.541 1.060 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.280 -13.615 3.025 1.00 13.23 O ATOM 0 H GLU B 314 50.102 -10.406 2.778 1.00 50.02 H new ATOM 0 HA GLU B 314 49.356 -10.186 0.057 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.811 -10.707 2.612 1.00 41.12 H new ATOM 0 HB3 GLU B 314 47.052 -10.711 1.032 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.576 -12.524 0.326 1.00 31.33 H new ATOM 0 HG3 GLU B 314 49.282 -12.537 1.930 1.00 31.33 H new ATOM 1959 N PRO B 315 47.646 -8.204 -0.055 1.00 10.45 N ATOM 1960 CA PRO B 315 46.939 -6.936 -0.144 1.00 54.32 C ATOM 1961 C PRO B 315 45.920 -6.848 0.968 1.00 3.22 C ATOM 1962 O PRO B 315 45.827 -5.834 1.676 1.00 2.51 O ATOM 1963 CB PRO B 315 46.189 -6.997 -1.473 1.00 25.23 C ATOM 1964 CG PRO B 315 46.730 -8.167 -2.229 1.00 44.42 C ATOM 1965 CD PRO B 315 47.478 -9.041 -1.260 1.00 62.12 C ATOM 0 HA PRO B 315 47.616 -6.085 -0.071 1.00 54.32 H new ATOM 0 HB2 PRO B 315 45.118 -7.108 -1.306 1.00 25.23 H new ATOM 0 HB3 PRO B 315 46.330 -6.075 -2.037 1.00 25.23 H new ATOM 0 HG2 PRO B 315 45.920 -8.725 -2.698 1.00 44.42 H new ATOM 0 HG3 PRO B 315 47.391 -7.832 -3.028 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.921 -9.951 -1.036 1.00 62.12 H new ATOM 0 HD3 PRO B 315 48.442 -9.349 -1.666 1.00 62.12 H new ATOM 1973 N ASP B 316 45.216 -7.973 1.136 1.00 41.21 N ATOM 1974 CA ASP B 316 44.137 -8.151 2.087 1.00 41.22 C ATOM 1975 C ASP B 316 43.039 -7.164 1.762 1.00 10.30 C ATOM 1976 O ASP B 316 42.995 -6.061 2.329 1.00 0.00 O ATOM 1977 CB ASP B 316 44.634 -7.996 3.522 1.00 11.05 C ATOM 1978 CG ASP B 316 43.654 -8.490 4.570 1.00 61.13 C ATOM 1979 OD1 ASP B 316 43.657 -9.706 4.870 1.00 1.52 O ATOM 1980 OD2 ASP B 316 42.919 -7.679 5.167 1.00 52.21 O ATOM 1981 OXT ASP B 316 42.260 -7.449 0.846 1.00 0.00 O ATOM 0 H ASP B 316 45.398 -8.813 0.586 1.00 41.21 H new ATOM 0 HA ASP B 316 43.740 -9.163 2.008 1.00 41.22 H new ATOM 0 HB2 ASP B 316 45.572 -8.540 3.632 1.00 11.05 H new ATOM 0 HB3 ASP B 316 44.851 -6.944 3.709 1.00 11.05 H new