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 62 MET CE :methyl -159:sc= -0.156 (180deg=-0.656) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 72 GLN : amide:sc= 0.328 K(o=0.18,f=-4!) USER MOD Set 1.4: B 305 THR OG1 : rot 28:sc= 0.00478 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0) USER MOD Set 2.2: A 106 ASN : amide:sc= 1.12 K(o=2.2,f=-8.2!) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.028 (180deg=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.93) USER MOD Single : A 40 SER OG : rot 104:sc= 1.25 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.754) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 49 THR OG1 : rot -66:sc= 0.68 USER MOD Single : A 50 MET CE :methyl 139:sc= -0.32 (180deg=-2.96!) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 2.45 (180deg=2.11) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.0865 X(o=0.087,f=-0.12) USER MOD Single : A 60 TYR OH : rot -121:sc= 1.26 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 70 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.2) USER MOD Single : A 71 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0077) USER MOD Single : A 73 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.56) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 1:sc= -0.475 USER MOD Single : A 78 SER OG : rot -51:sc= 1.3 USER MOD Single : A 79 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0384 X(o=-0.038,f=-0.0017) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0859 (180deg=-0.353) USER MOD Single : A 100 TYR OH : rot 42:sc= -1.22! USER MOD Single : A 101 THR OG1 : rot 21:sc= -0.308 USER MOD Single : A 102 MET CE :methyl -178:sc= -1.68 (180deg=-1.75) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 311 SER OG : rot 92:sc= 1.27 USER MOD Single : B 312 SER OG : rot 92:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.379 -22.142 -6.052 1.00 5.11 N ATOM 334 CA LEU A 27 44.755 -22.319 -5.862 1.00 60.50 C ATOM 335 C LEU A 27 45.500 -22.032 -7.151 1.00 75.55 C ATOM 336 O LEU A 27 44.913 -22.049 -8.239 1.00 13.21 O ATOM 337 CB LEU A 27 44.997 -23.757 -5.482 1.00 70.13 C ATOM 338 CG LEU A 27 44.232 -24.328 -4.277 1.00 24.53 C ATOM 339 CD1 LEU A 27 44.265 -23.429 -3.080 1.00 0.21 C ATOM 340 CD2 LEU A 27 42.834 -24.832 -4.604 1.00 40.21 C ATOM 0 HA LEU A 27 45.106 -21.641 -5.084 1.00 60.50 H new ATOM 0 HB2 LEU A 27 44.762 -24.375 -6.349 1.00 70.13 H new ATOM 0 HB3 LEU A 27 46.063 -23.875 -5.286 1.00 70.13 H new ATOM 0 HG LEU A 27 44.789 -25.222 -3.999 1.00 24.53 H new ATOM 0 HD11 LEU A 27 43.707 -23.889 -2.264 1.00 0.21 H new ATOM 0 HD12 LEU A 27 45.298 -23.273 -2.771 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.813 -22.470 -3.333 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.365 -25.218 -3.699 1.00 40.21 H new ATOM 0 HD22 LEU A 27 42.236 -24.012 -5.002 1.00 40.21 H new ATOM 0 HD23 LEU A 27 42.898 -25.628 -5.346 1.00 40.21 H new ATOM 352 N VAL A 28 46.763 -21.778 -7.036 1.00 40.25 N ATOM 353 CA VAL A 28 47.581 -21.488 -8.175 1.00 11.42 C ATOM 354 C VAL A 28 48.359 -22.735 -8.579 1.00 51.22 C ATOM 355 O VAL A 28 48.538 -23.652 -7.765 1.00 23.41 O ATOM 356 CB VAL A 28 48.535 -20.288 -7.909 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.730 -19.046 -7.538 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.562 -20.599 -6.825 1.00 61.10 C ATOM 0 H VAL A 28 47.262 -21.765 -6.146 1.00 40.25 H new ATOM 0 HA VAL A 28 46.931 -21.195 -9.000 1.00 11.42 H new ATOM 0 HB VAL A 28 49.085 -20.098 -8.831 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.409 -18.214 -7.354 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.057 -18.791 -8.356 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.148 -19.245 -6.638 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.206 -19.732 -6.674 1.00 61.10 H new ATOM 0 HG22 VAL A 28 49.048 -20.836 -5.894 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.168 -21.452 -7.132 1.00 61.10 H new ATOM 368 N ARG A 29 48.775 -22.790 -9.819 1.00 35.24 N ATOM 369 CA ARG A 29 49.488 -23.948 -10.344 1.00 74.24 C ATOM 370 C ARG A 29 50.963 -23.674 -10.385 1.00 40.32 C ATOM 371 O ARG A 29 51.396 -22.820 -11.120 1.00 20.51 O ATOM 372 CB ARG A 29 48.989 -24.284 -11.748 1.00 11.01 C ATOM 373 CG ARG A 29 47.544 -24.711 -11.794 1.00 63.52 C ATOM 374 CD ARG A 29 47.361 -26.029 -11.093 1.00 40.33 C ATOM 375 NE ARG A 29 45.944 -26.357 -10.918 1.00 65.21 N ATOM 376 CZ ARG A 29 45.447 -27.557 -10.610 1.00 15.23 C ATOM 377 NH1 ARG A 29 46.240 -28.630 -10.543 1.00 52.24 N ATOM 378 NH2 ARG A 29 44.146 -27.677 -10.368 1.00 32.15 N ATOM 0 H ARG A 29 48.634 -22.042 -10.498 1.00 35.24 H new ATOM 0 HA ARG A 29 49.301 -24.797 -9.686 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.121 -23.412 -12.389 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.607 -25.081 -12.162 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.919 -23.952 -11.323 1.00 63.52 H new ATOM 0 HG3 ARG A 29 47.216 -24.795 -12.830 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.849 -26.817 -11.667 1.00 40.33 H new ATOM 0 HD3 ARG A 29 47.850 -25.994 -10.119 1.00 40.33 H new ATOM 0 HE ARG A 29 45.275 -25.598 -11.043 1.00 65.21 H new ATOM 0 HH11 ARG A 29 47.239 -28.538 -10.728 1.00 52.24 H new ATOM 0 HH12 ARG A 29 45.847 -29.541 -10.306 1.00 52.24 H new ATOM 0 HH21 ARG A 29 43.540 -26.858 -10.419 1.00 32.15 H new ATOM 0 HH22 ARG A 29 43.753 -28.588 -10.132 1.00 32.15 H new ATOM 392 N PRO A 30 51.749 -24.370 -9.595 1.00 1.41 N ATOM 393 CA PRO A 30 53.179 -24.156 -9.566 1.00 43.14 C ATOM 394 C PRO A 30 53.919 -24.917 -10.674 1.00 24.23 C ATOM 395 O PRO A 30 53.519 -26.018 -11.068 1.00 23.12 O ATOM 396 CB PRO A 30 53.570 -24.714 -8.198 1.00 54.02 C ATOM 397 CG PRO A 30 52.591 -25.813 -7.937 1.00 53.23 C ATOM 398 CD PRO A 30 51.322 -25.436 -8.656 1.00 55.33 C ATOM 0 HA PRO A 30 53.439 -23.109 -9.725 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.593 -25.089 -8.202 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.516 -23.945 -7.427 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.973 -26.767 -8.300 1.00 53.23 H new ATOM 0 HG3 PRO A 30 52.412 -25.927 -6.868 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.894 -26.287 -9.185 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.561 -25.077 -7.963 1.00 55.33 H new ATOM 406 N LYS A 31 54.965 -24.302 -11.201 1.00 71.41 N ATOM 407 CA LYS A 31 55.885 -24.980 -12.114 1.00 13.12 C ATOM 408 C LYS A 31 56.625 -26.063 -11.310 1.00 60.43 C ATOM 409 O LYS A 31 56.640 -25.980 -10.073 1.00 12.54 O ATOM 410 CB LYS A 31 56.906 -23.969 -12.678 1.00 45.42 C ATOM 411 CG LYS A 31 56.328 -22.933 -13.621 1.00 33.03 C ATOM 412 CD LYS A 31 57.391 -21.933 -14.053 1.00 44.22 C ATOM 413 CE LYS A 31 56.822 -20.904 -15.008 1.00 72.11 C ATOM 414 NZ LYS A 31 57.780 -19.810 -15.297 1.00 53.45 N ATOM 0 H LYS A 31 55.203 -23.328 -11.014 1.00 71.41 H new ATOM 0 HA LYS A 31 55.338 -25.422 -12.947 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.383 -23.454 -11.844 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.688 -24.519 -13.202 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.911 -23.427 -14.498 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.508 -22.408 -13.131 1.00 33.03 H new ATOM 0 HD2 LYS A 31 57.800 -21.431 -13.176 1.00 44.22 H new ATOM 0 HD3 LYS A 31 58.216 -22.460 -14.532 1.00 44.22 H new ATOM 0 HE2 LYS A 31 56.542 -21.394 -15.941 1.00 72.11 H new ATOM 0 HE3 LYS A 31 55.911 -20.483 -14.583 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 57.276 -19.014 -15.738 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 58.221 -19.492 -14.411 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 58.516 -20.155 -15.946 1.00 53.45 H new ATOM 428 N PRO A 32 57.276 -27.069 -11.963 1.00 4.31 N ATOM 429 CA PRO A 32 57.997 -28.155 -11.259 1.00 5.12 C ATOM 430 C PRO A 32 59.025 -27.612 -10.272 1.00 74.20 C ATOM 431 O PRO A 32 59.269 -28.196 -9.235 1.00 50.13 O ATOM 432 CB PRO A 32 58.701 -28.921 -12.395 1.00 54.05 C ATOM 433 CG PRO A 32 58.661 -27.990 -13.554 1.00 52.24 C ATOM 434 CD PRO A 32 57.365 -27.256 -13.420 1.00 71.25 C ATOM 0 HA PRO A 32 57.323 -28.774 -10.667 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.726 -29.176 -12.126 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.189 -29.856 -12.620 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.507 -27.303 -13.537 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.711 -28.533 -14.498 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.376 -26.306 -13.955 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.526 -27.832 -13.811 1.00 71.25 H new ATOM 442 N LEU A 33 59.570 -26.458 -10.592 1.00 43.22 N ATOM 443 CA LEU A 33 60.556 -25.807 -9.762 1.00 61.34 C ATOM 444 C LEU A 33 59.927 -25.339 -8.431 1.00 33.42 C ATOM 445 O LEU A 33 60.499 -25.525 -7.347 1.00 21.42 O ATOM 446 CB LEU A 33 61.187 -24.645 -10.529 1.00 61.22 C ATOM 447 CG LEU A 33 61.845 -25.030 -11.868 1.00 51.04 C ATOM 448 CD1 LEU A 33 62.393 -23.813 -12.574 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.944 -26.054 -11.659 1.00 21.44 C ATOM 0 H LEU A 33 59.339 -25.943 -11.442 1.00 43.22 H new ATOM 0 HA LEU A 33 61.343 -26.519 -9.512 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.419 -23.896 -10.721 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.938 -24.175 -9.894 1.00 61.22 H new ATOM 0 HG LEU A 33 61.074 -25.474 -12.497 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.852 -24.114 -13.516 1.00 51.51 H new ATOM 0 HD12 LEU A 33 61.582 -23.112 -12.773 1.00 51.51 H new ATOM 0 HD13 LEU A 33 63.141 -23.333 -11.944 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.392 -26.308 -12.620 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.708 -25.639 -11.001 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.523 -26.952 -11.206 1.00 21.44 H new ATOM 461 N LEU A 34 58.730 -24.794 -8.507 1.00 3.45 N ATOM 462 CA LEU A 34 58.030 -24.370 -7.315 1.00 64.14 C ATOM 463 C LEU A 34 57.529 -25.589 -6.598 1.00 22.24 C ATOM 464 O LEU A 34 57.726 -25.737 -5.412 1.00 75.12 O ATOM 465 CB LEU A 34 56.854 -23.409 -7.617 1.00 35.35 C ATOM 466 CG LEU A 34 57.195 -21.955 -7.980 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.975 -21.864 -9.273 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.926 -21.118 -8.070 1.00 52.54 C ATOM 0 H LEU A 34 58.224 -24.635 -9.379 1.00 3.45 H new ATOM 0 HA LEU A 34 58.730 -23.813 -6.693 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.277 -23.833 -8.438 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.202 -23.393 -6.744 1.00 35.35 H new ATOM 0 HG LEU A 34 57.828 -21.561 -7.185 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.195 -20.819 -9.492 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.908 -22.419 -9.175 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.384 -22.288 -10.085 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.185 -20.091 -8.328 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.272 -21.531 -8.838 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.412 -21.132 -7.109 1.00 52.54 H new ATOM 480 N LEU A 35 56.959 -26.497 -7.361 1.00 65.12 N ATOM 481 CA LEU A 35 56.405 -27.733 -6.854 1.00 5.32 C ATOM 482 C LEU A 35 57.449 -28.524 -6.056 1.00 54.41 C ATOM 483 O LEU A 35 57.158 -29.021 -4.964 1.00 53.44 O ATOM 484 CB LEU A 35 55.889 -28.552 -8.019 1.00 2.42 C ATOM 485 CG LEU A 35 55.091 -29.797 -7.677 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.853 -29.445 -6.855 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.690 -30.479 -8.949 1.00 71.40 C ATOM 0 H LEU A 35 56.866 -26.394 -8.372 1.00 65.12 H new ATOM 0 HA LEU A 35 55.585 -27.504 -6.174 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.265 -27.907 -8.638 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.742 -28.851 -8.629 1.00 2.42 H new ATOM 0 HG LEU A 35 55.710 -30.464 -7.077 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.299 -30.355 -6.624 1.00 24.24 H new ATOM 0 HD12 LEU A 35 54.158 -28.960 -5.928 1.00 24.24 H new ATOM 0 HD13 LEU A 35 53.217 -28.769 -7.426 1.00 24.24 H new ATOM 0 HD21 LEU A 35 54.116 -31.376 -8.716 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.080 -29.803 -9.548 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.582 -30.756 -9.510 1.00 71.40 H new ATOM 499 N LYS A 36 58.675 -28.594 -6.576 1.00 42.34 N ATOM 500 CA LYS A 36 59.741 -29.304 -5.895 1.00 34.14 C ATOM 501 C LYS A 36 60.114 -28.598 -4.599 1.00 62.12 C ATOM 502 O LYS A 36 60.388 -29.251 -3.608 1.00 31.42 O ATOM 503 CB LYS A 36 60.994 -29.497 -6.783 1.00 22.41 C ATOM 504 CG LYS A 36 61.798 -28.231 -7.054 1.00 43.13 C ATOM 505 CD LYS A 36 62.990 -28.491 -7.951 1.00 75.31 C ATOM 506 CE LYS A 36 63.831 -27.231 -8.152 1.00 21.21 C ATOM 507 NZ LYS A 36 64.429 -26.744 -6.891 1.00 23.02 N ATOM 0 H LYS A 36 58.947 -28.168 -7.462 1.00 42.34 H new ATOM 0 HA LYS A 36 59.357 -30.298 -5.665 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.647 -30.229 -6.308 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.682 -29.921 -7.737 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.152 -27.485 -7.518 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.142 -27.812 -6.108 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.609 -29.276 -7.516 1.00 75.31 H new ATOM 0 HD3 LYS A 36 62.645 -28.856 -8.918 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.624 -27.438 -8.871 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.208 -26.447 -8.582 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.157 -26.032 -7.104 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 63.689 -26.316 -6.298 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 64.863 -27.541 -6.382 1.00 23.02 H new ATOM 521 N LEU A 37 60.044 -27.260 -4.573 1.00 21.34 N ATOM 522 CA LEU A 37 60.432 -26.548 -3.358 1.00 4.13 C ATOM 523 C LEU A 37 59.337 -26.697 -2.305 1.00 55.22 C ATOM 524 O LEU A 37 59.616 -26.887 -1.125 1.00 44.31 O ATOM 525 CB LEU A 37 60.838 -25.047 -3.621 1.00 20.40 C ATOM 526 CG LEU A 37 59.760 -23.999 -4.026 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.936 -23.500 -2.825 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.406 -22.829 -4.751 1.00 24.22 C ATOM 0 H LEU A 37 59.735 -26.673 -5.347 1.00 21.34 H new ATOM 0 HA LEU A 37 61.341 -27.008 -2.971 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.320 -24.680 -2.715 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.595 -25.051 -4.405 1.00 20.40 H new ATOM 0 HG LEU A 37 59.065 -24.501 -4.699 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.200 -22.772 -3.166 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.424 -24.342 -2.360 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.600 -23.032 -2.098 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.640 -22.105 -5.028 1.00 24.22 H new ATOM 0 HD22 LEU A 37 61.136 -22.353 -4.096 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.906 -23.189 -5.650 1.00 24.22 H new ATOM 540 N LEU A 38 58.095 -26.683 -2.772 1.00 2.01 N ATOM 541 CA LEU A 38 56.920 -26.795 -1.924 1.00 62.52 C ATOM 542 C LEU A 38 56.892 -28.136 -1.227 1.00 61.11 C ATOM 543 O LEU A 38 56.815 -28.222 -0.001 1.00 21.21 O ATOM 544 CB LEU A 38 55.642 -26.682 -2.763 1.00 42.14 C ATOM 545 CG LEU A 38 55.456 -25.430 -3.600 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.202 -25.550 -4.430 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.406 -24.187 -2.737 1.00 34.23 C ATOM 0 H LEU A 38 57.875 -26.592 -3.764 1.00 2.01 H new ATOM 0 HA LEU A 38 56.968 -25.989 -1.191 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.603 -27.542 -3.432 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.790 -26.764 -2.089 1.00 42.14 H new ATOM 0 HG LEU A 38 56.316 -25.333 -4.263 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.074 -24.648 -5.029 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.283 -26.414 -5.089 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.341 -25.674 -3.773 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.272 -23.310 -3.370 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.572 -24.262 -2.039 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.338 -24.093 -2.180 1.00 34.23 H new ATOM 559 N LYS A 39 56.993 -29.188 -2.002 1.00 4.41 N ATOM 560 CA LYS A 39 56.836 -30.525 -1.477 1.00 72.50 C ATOM 561 C LYS A 39 58.024 -30.918 -0.623 1.00 71.11 C ATOM 562 O LYS A 39 57.909 -31.769 0.255 1.00 23.23 O ATOM 563 CB LYS A 39 56.563 -31.522 -2.605 1.00 34.33 C ATOM 564 CG LYS A 39 55.336 -31.137 -3.438 1.00 51.34 C ATOM 565 CD LYS A 39 55.058 -32.113 -4.572 1.00 50.31 C ATOM 566 CE LYS A 39 54.522 -33.438 -4.069 1.00 14.03 C ATOM 567 NZ LYS A 39 53.204 -33.295 -3.398 1.00 31.25 N ATOM 0 H LYS A 39 57.184 -29.145 -3.003 1.00 4.41 H new ATOM 0 HA LYS A 39 55.965 -30.542 -0.822 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.436 -31.580 -3.255 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.414 -32.515 -2.181 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.463 -31.086 -2.787 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.483 -30.140 -3.852 1.00 51.34 H new ATOM 0 HD2 LYS A 39 54.339 -31.671 -5.262 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.976 -32.284 -5.135 1.00 50.31 H new ATOM 0 HE2 LYS A 39 54.428 -34.131 -4.905 1.00 14.03 H new ATOM 0 HE3 LYS A 39 55.237 -33.875 -3.372 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.732 -34.221 -3.360 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.344 -32.937 -2.431 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 52.613 -32.627 -3.933 1.00 31.25 H new ATOM 581 N SER A 40 59.140 -30.250 -0.826 1.00 51.14 N ATOM 582 CA SER A 40 60.292 -30.500 -0.012 1.00 42.10 C ATOM 583 C SER A 40 60.130 -29.849 1.368 1.00 14.45 C ATOM 584 O SER A 40 60.608 -30.378 2.368 1.00 42.43 O ATOM 585 CB SER A 40 61.569 -30.014 -0.699 1.00 12.23 C ATOM 586 OG SER A 40 61.771 -30.686 -1.935 1.00 61.15 O ATOM 0 H SER A 40 59.266 -29.537 -1.544 1.00 51.14 H new ATOM 0 HA SER A 40 60.380 -31.578 0.127 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.507 -28.940 -0.871 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.425 -30.183 -0.045 1.00 12.23 H new ATOM 0 HG SER A 40 61.538 -30.087 -2.675 1.00 61.15 H new ATOM 592 N VAL A 41 59.422 -28.724 1.430 1.00 11.22 N ATOM 593 CA VAL A 41 59.265 -28.017 2.697 1.00 71.41 C ATOM 594 C VAL A 41 58.025 -28.442 3.464 1.00 64.32 C ATOM 595 O VAL A 41 57.753 -27.934 4.554 1.00 51.12 O ATOM 596 CB VAL A 41 59.319 -26.479 2.554 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.660 -26.056 1.996 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.183 -25.952 1.691 1.00 74.11 C ATOM 0 H VAL A 41 58.956 -28.289 0.634 1.00 11.22 H new ATOM 0 HA VAL A 41 60.134 -28.314 3.284 1.00 71.41 H new ATOM 0 HB VAL A 41 59.196 -26.045 3.546 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.688 -24.971 1.899 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.453 -26.381 2.670 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.807 -26.512 1.017 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.257 -24.867 1.615 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.249 -26.391 0.695 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.228 -26.220 2.143 1.00 74.11 H new ATOM 608 N GLY A 42 57.294 -29.381 2.915 1.00 13.41 N ATOM 609 CA GLY A 42 56.159 -29.911 3.621 1.00 34.34 C ATOM 610 C GLY A 42 54.822 -29.525 3.039 1.00 74.23 C ATOM 611 O GLY A 42 53.832 -29.466 3.760 1.00 22.34 O ATOM 0 H GLY A 42 57.463 -29.788 1.995 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.233 -30.998 3.638 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.201 -29.573 4.656 1.00 34.34 H new ATOM 615 N ALA A 43 54.771 -29.249 1.755 1.00 52.43 N ATOM 616 CA ALA A 43 53.498 -28.983 1.113 1.00 31.35 C ATOM 617 C ALA A 43 52.757 -30.270 0.904 1.00 13.11 C ATOM 618 O ALA A 43 53.186 -31.139 0.122 1.00 2.23 O ATOM 619 CB ALA A 43 53.654 -28.245 -0.201 1.00 2.41 C ATOM 0 H ALA A 43 55.583 -29.203 1.139 1.00 52.43 H new ATOM 0 HA ALA A 43 52.927 -28.332 1.775 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.671 -28.071 -0.640 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.147 -27.289 -0.025 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.256 -28.843 -0.885 1.00 2.41 H new ATOM 625 N GLN A 44 51.691 -30.425 1.641 1.00 11.11 N ATOM 626 CA GLN A 44 50.856 -31.600 1.538 1.00 14.10 C ATOM 627 C GLN A 44 49.864 -31.393 0.422 1.00 41.31 C ATOM 628 O GLN A 44 49.349 -32.341 -0.164 1.00 14.35 O ATOM 629 CB GLN A 44 50.114 -31.832 2.847 1.00 34.11 C ATOM 630 CG GLN A 44 51.022 -31.935 4.055 1.00 12.52 C ATOM 631 CD GLN A 44 50.246 -32.226 5.326 1.00 43.54 C ATOM 632 OE1 GLN A 44 50.031 -33.385 5.687 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.841 -31.203 6.017 1.00 5.12 N ATOM 0 H GLN A 44 51.373 -29.744 2.330 1.00 11.11 H new ATOM 0 HA GLN A 44 51.476 -32.472 1.330 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.408 -31.016 3.003 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.529 -32.748 2.765 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.757 -32.723 3.890 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.575 -31.003 4.173 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.036 -30.257 5.689 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.328 -31.346 6.887 1.00 5.12 H new ATOM 642 N LYS A 45 49.621 -30.141 0.127 1.00 34.22 N ATOM 643 CA LYS A 45 48.719 -29.746 -0.890 1.00 1.22 C ATOM 644 C LYS A 45 49.517 -29.487 -2.140 1.00 34.45 C ATOM 645 O LYS A 45 50.616 -28.930 -2.074 1.00 73.42 O ATOM 646 CB LYS A 45 47.986 -28.477 -0.454 1.00 41.14 C ATOM 647 CG LYS A 45 47.148 -28.655 0.808 1.00 41.43 C ATOM 648 CD LYS A 45 46.545 -27.339 1.293 1.00 52.41 C ATOM 649 CE LYS A 45 45.611 -26.714 0.272 1.00 2.42 C ATOM 650 NZ LYS A 45 44.991 -25.471 0.781 1.00 21.35 N ATOM 0 H LYS A 45 50.064 -29.358 0.608 1.00 34.22 H new ATOM 0 HA LYS A 45 47.979 -30.524 -1.076 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.717 -27.686 -0.286 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.338 -28.145 -1.266 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.348 -29.369 0.612 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.769 -29.080 1.597 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.999 -27.513 2.220 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.348 -26.638 1.522 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.165 -26.496 -0.641 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.830 -27.428 0.009 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.768 -24.842 -0.017 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 44.117 -25.704 1.294 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.652 -24.992 1.425 1.00 21.35 H new ATOM 664 N ASP A 46 49.001 -29.914 -3.254 1.00 71.23 N ATOM 665 CA ASP A 46 49.677 -29.711 -4.526 1.00 33.11 C ATOM 666 C ASP A 46 49.142 -28.464 -5.175 1.00 43.41 C ATOM 667 O ASP A 46 49.622 -28.017 -6.221 1.00 45.42 O ATOM 668 CB ASP A 46 49.521 -30.915 -5.464 1.00 22.43 C ATOM 669 CG ASP A 46 50.128 -32.189 -4.910 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.351 -32.404 -5.058 1.00 45.24 O ATOM 671 OD2 ASP A 46 49.383 -33.021 -4.314 1.00 72.22 O ATOM 0 H ASP A 46 48.111 -30.408 -3.320 1.00 71.23 H new ATOM 0 HA ASP A 46 50.744 -29.601 -4.331 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.461 -31.080 -5.659 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.989 -30.684 -6.421 1.00 22.43 H new ATOM 676 N THR A 47 48.128 -27.904 -4.562 1.00 73.34 N ATOM 677 CA THR A 47 47.581 -26.683 -4.979 1.00 64.41 C ATOM 678 C THR A 47 47.504 -25.779 -3.790 1.00 71.43 C ATOM 679 O THR A 47 47.179 -26.223 -2.684 1.00 40.44 O ATOM 680 CB THR A 47 46.219 -26.862 -5.623 1.00 20.33 C ATOM 681 OG1 THR A 47 45.471 -27.909 -4.965 1.00 44.41 O ATOM 682 CG2 THR A 47 46.328 -27.106 -7.118 1.00 54.35 C ATOM 0 H THR A 47 47.668 -28.309 -3.747 1.00 73.34 H new ATOM 0 HA THR A 47 48.221 -26.243 -5.744 1.00 64.41 H new ATOM 0 HB THR A 47 45.670 -25.929 -5.496 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.596 -28.006 -5.395 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.331 -27.229 -7.540 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.820 -26.256 -7.591 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.912 -28.009 -7.298 1.00 54.35 H new ATOM 690 N TYR A 48 47.802 -24.536 -3.988 1.00 21.32 N ATOM 691 CA TYR A 48 47.933 -23.639 -2.884 1.00 72.11 C ATOM 692 C TYR A 48 47.599 -22.203 -3.296 1.00 63.32 C ATOM 693 O TYR A 48 47.742 -21.844 -4.465 1.00 44.22 O ATOM 694 CB TYR A 48 49.373 -23.762 -2.321 1.00 30.34 C ATOM 695 CG TYR A 48 50.522 -23.335 -3.264 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.524 -23.645 -4.629 1.00 63.43 C ATOM 697 CD2 TYR A 48 51.607 -22.640 -2.772 1.00 21.34 C ATOM 698 CE1 TYR A 48 51.554 -23.264 -5.452 1.00 12.51 C ATOM 699 CE2 TYR A 48 52.644 -22.259 -3.598 1.00 2.02 C ATOM 700 CZ TYR A 48 52.611 -22.569 -4.932 1.00 2.34 C ATOM 701 OH TYR A 48 53.649 -22.183 -5.749 1.00 72.12 O ATOM 0 H TYR A 48 47.960 -24.117 -4.905 1.00 21.32 H new ATOM 0 HA TYR A 48 47.221 -23.905 -2.103 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.436 -23.163 -1.413 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.538 -24.799 -2.030 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.694 -24.198 -5.045 1.00 63.43 H new ATOM 0 HD2 TYR A 48 51.645 -22.390 -1.722 1.00 21.34 H new ATOM 0 HE1 TYR A 48 51.530 -23.511 -6.503 1.00 12.51 H new ATOM 0 HE2 TYR A 48 53.484 -21.715 -3.192 1.00 2.02 H new ATOM 0 HH TYR A 48 54.317 -21.698 -5.222 1.00 72.12 H new ATOM 711 N THR A 49 47.098 -21.420 -2.365 1.00 4.35 N ATOM 712 CA THR A 49 46.782 -20.025 -2.611 1.00 1.34 C ATOM 713 C THR A 49 48.021 -19.167 -2.410 1.00 15.00 C ATOM 714 O THR A 49 49.070 -19.682 -2.026 1.00 52.25 O ATOM 715 CB THR A 49 45.644 -19.530 -1.688 1.00 51.02 C ATOM 716 OG1 THR A 49 45.925 -19.875 -0.320 1.00 64.22 O ATOM 717 CG2 THR A 49 44.322 -20.126 -2.101 1.00 61.52 C ATOM 0 H THR A 49 46.897 -21.731 -1.414 1.00 4.35 H new ATOM 0 HA THR A 49 46.441 -19.937 -3.643 1.00 1.34 H new ATOM 0 HB THR A 49 45.582 -18.446 -1.779 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.914 -20.850 -0.220 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.537 -19.764 -1.438 1.00 61.52 H new ATOM 0 HG22 THR A 49 44.095 -19.833 -3.126 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.377 -21.213 -2.038 1.00 61.52 H new ATOM 725 N MET A 50 47.902 -17.865 -2.634 1.00 21.14 N ATOM 726 CA MET A 50 49.041 -16.951 -2.499 1.00 1.43 C ATOM 727 C MET A 50 49.570 -16.913 -1.075 1.00 72.53 C ATOM 728 O MET A 50 50.777 -16.859 -0.859 1.00 74.21 O ATOM 729 CB MET A 50 48.738 -15.543 -3.013 1.00 22.31 C ATOM 730 CG MET A 50 48.382 -15.499 -4.487 1.00 4.50 C ATOM 731 SD MET A 50 49.109 -14.085 -5.326 1.00 33.11 S ATOM 732 CE MET A 50 50.846 -14.469 -5.084 1.00 73.31 C ATOM 0 H MET A 50 47.030 -17.413 -2.910 1.00 21.14 H new ATOM 0 HA MET A 50 49.827 -17.355 -3.137 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.914 -15.124 -2.436 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.606 -14.907 -2.838 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.721 -16.417 -4.967 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.298 -15.464 -4.595 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.398 -14.248 -5.997 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.241 -13.867 -4.266 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.955 -15.526 -4.842 1.00 73.31 H new ATOM 742 N LYS A 51 48.663 -16.985 -0.118 1.00 14.32 N ATOM 743 CA LYS A 51 49.007 -17.076 1.309 1.00 64.44 C ATOM 744 C LYS A 51 49.810 -18.314 1.580 1.00 30.11 C ATOM 745 O LYS A 51 50.740 -18.312 2.367 1.00 14.04 O ATOM 746 CB LYS A 51 47.750 -17.118 2.174 1.00 41.10 C ATOM 747 CG LYS A 51 47.058 -15.795 2.311 1.00 73.21 C ATOM 748 CD LYS A 51 45.809 -15.895 3.150 1.00 42.42 C ATOM 749 CE LYS A 51 45.172 -14.533 3.345 1.00 70.32 C ATOM 750 NZ LYS A 51 44.716 -13.934 2.073 1.00 25.31 N ATOM 0 H LYS A 51 47.659 -16.983 -0.299 1.00 14.32 H new ATOM 0 HA LYS A 51 49.592 -16.191 1.559 1.00 64.44 H new ATOM 0 HB2 LYS A 51 47.052 -17.839 1.748 1.00 41.10 H new ATOM 0 HB3 LYS A 51 48.017 -17.481 3.167 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.740 -15.074 2.761 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.801 -15.416 1.322 1.00 73.21 H new ATOM 0 HD2 LYS A 51 45.098 -16.567 2.670 1.00 42.42 H new ATOM 0 HD3 LYS A 51 46.053 -16.328 4.120 1.00 42.42 H new ATOM 0 HE2 LYS A 51 44.324 -14.626 4.024 1.00 70.32 H new ATOM 0 HE3 LYS A 51 45.890 -13.865 3.821 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 44.113 -13.110 2.273 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 45.541 -13.632 1.516 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.173 -14.637 1.533 1.00 25.31 H new ATOM 764 N GLU A 52 49.460 -19.358 0.896 1.00 55.54 N ATOM 765 CA GLU A 52 50.107 -20.622 1.064 1.00 75.23 C ATOM 766 C GLU A 52 51.433 -20.647 0.333 1.00 14.34 C ATOM 767 O GLU A 52 52.325 -21.404 0.693 1.00 34.14 O ATOM 768 CB GLU A 52 49.177 -21.731 0.650 1.00 51.14 C ATOM 769 CG GLU A 52 47.914 -21.727 1.477 1.00 60.21 C ATOM 770 CD GLU A 52 46.906 -22.728 1.036 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.304 -22.546 -0.045 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.631 -23.678 1.791 1.00 34.40 O ATOM 0 H GLU A 52 48.713 -19.358 0.201 1.00 55.54 H new ATOM 0 HA GLU A 52 50.341 -20.779 2.117 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.924 -21.621 -0.404 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.682 -22.691 0.758 1.00 51.14 H new ATOM 0 HG2 GLU A 52 48.172 -21.919 2.518 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.468 -20.733 1.437 1.00 60.21 H new ATOM 779 N VAL A 53 51.575 -19.792 -0.683 1.00 43.32 N ATOM 780 CA VAL A 53 52.867 -19.600 -1.328 1.00 51.12 C ATOM 781 C VAL A 53 53.736 -18.938 -0.315 1.00 21.10 C ATOM 782 O VAL A 53 54.798 -19.399 -0.043 1.00 11.23 O ATOM 783 CB VAL A 53 52.809 -18.683 -2.577 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.144 -18.681 -3.285 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.707 -19.075 -3.533 1.00 10.42 C ATOM 0 H VAL A 53 50.817 -19.229 -1.070 1.00 43.32 H new ATOM 0 HA VAL A 53 53.233 -20.569 -1.668 1.00 51.12 H new ATOM 0 HB VAL A 53 52.582 -17.676 -2.226 1.00 30.31 H new ATOM 0 HG11 VAL A 53 54.091 -18.034 -4.160 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.915 -18.313 -2.608 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.391 -19.695 -3.598 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.711 -18.401 -4.389 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.869 -20.097 -3.875 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.745 -19.010 -3.025 1.00 10.42 H new ATOM 795 N LEU A 54 53.229 -17.882 0.293 1.00 70.30 N ATOM 796 CA LEU A 54 53.954 -17.186 1.345 1.00 2.43 C ATOM 797 C LEU A 54 54.320 -18.179 2.458 1.00 14.03 C ATOM 798 O LEU A 54 55.414 -18.164 2.989 1.00 21.52 O ATOM 799 CB LEU A 54 53.130 -16.027 1.931 1.00 11.33 C ATOM 800 CG LEU A 54 52.579 -14.985 0.948 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.812 -13.899 1.681 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.686 -14.398 0.089 1.00 72.44 C ATOM 0 H LEU A 54 52.315 -17.485 0.077 1.00 70.30 H new ATOM 0 HA LEU A 54 54.859 -16.763 0.910 1.00 2.43 H new ATOM 0 HB2 LEU A 54 52.288 -16.454 2.476 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.751 -15.507 2.660 1.00 11.33 H new ATOM 0 HG LEU A 54 51.882 -15.491 0.280 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.432 -13.173 0.962 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.977 -14.345 2.222 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.475 -13.398 2.386 1.00 70.35 H new ATOM 0 HD21 LEU A 54 53.264 -13.663 -0.597 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.425 -13.915 0.728 1.00 72.44 H new ATOM 0 HD23 LEU A 54 54.165 -15.194 -0.482 1.00 72.44 H new ATOM 814 N PHE A 55 53.429 -19.088 2.733 1.00 3.44 N ATOM 815 CA PHE A 55 53.675 -20.072 3.739 1.00 31.34 C ATOM 816 C PHE A 55 54.786 -21.047 3.296 1.00 34.30 C ATOM 817 O PHE A 55 55.858 -21.059 3.885 1.00 13.01 O ATOM 818 CB PHE A 55 52.385 -20.816 4.120 1.00 43.03 C ATOM 819 CG PHE A 55 52.556 -21.811 5.237 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.535 -21.396 6.558 1.00 13.12 C ATOM 821 CD2 PHE A 55 52.738 -23.157 4.964 1.00 43.53 C ATOM 822 CE1 PHE A 55 52.699 -22.304 7.582 1.00 72.04 C ATOM 823 CE2 PHE A 55 52.900 -24.068 5.982 1.00 44.21 C ATOM 824 CZ PHE A 55 52.881 -23.641 7.292 1.00 42.14 C ATOM 0 H PHE A 55 52.523 -19.165 2.271 1.00 3.44 H new ATOM 0 HA PHE A 55 54.026 -19.558 4.634 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.630 -20.086 4.411 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.005 -21.335 3.240 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.389 -20.351 6.788 1.00 13.12 H new ATOM 0 HD2 PHE A 55 52.753 -23.496 3.939 1.00 43.53 H new ATOM 0 HE1 PHE A 55 52.685 -21.970 8.609 1.00 72.04 H new ATOM 0 HE2 PHE A 55 53.042 -25.114 5.755 1.00 44.21 H new ATOM 0 HZ PHE A 55 53.009 -24.354 8.093 1.00 42.14 H new ATOM 834 N TYR A 56 54.539 -21.814 2.245 1.00 63.30 N ATOM 835 CA TYR A 56 55.480 -22.836 1.788 1.00 1.22 C ATOM 836 C TYR A 56 56.758 -22.255 1.207 1.00 62.54 C ATOM 837 O TYR A 56 57.849 -22.706 1.544 1.00 21.03 O ATOM 838 CB TYR A 56 54.859 -23.748 0.749 1.00 51.34 C ATOM 839 CG TYR A 56 53.678 -24.546 1.207 1.00 64.03 C ATOM 840 CD1 TYR A 56 53.750 -25.360 2.326 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.494 -24.509 0.496 1.00 33.42 C ATOM 842 CE1 TYR A 56 52.666 -26.114 2.722 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.407 -25.251 0.884 1.00 32.12 C ATOM 844 CZ TYR A 56 51.496 -26.054 1.997 1.00 61.21 C ATOM 845 OH TYR A 56 50.423 -26.819 2.373 1.00 44.45 O ATOM 0 H TYR A 56 53.688 -21.750 1.686 1.00 63.30 H new ATOM 0 HA TYR A 56 55.731 -23.404 2.684 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.556 -23.142 -0.105 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.625 -24.438 0.394 1.00 51.34 H new ATOM 0 HD1 TYR A 56 54.667 -25.404 2.895 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.423 -23.884 -0.382 1.00 33.42 H new ATOM 0 HE1 TYR A 56 52.733 -26.747 3.594 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.488 -25.205 0.319 1.00 32.12 H new ATOM 0 HH TYR A 56 49.676 -26.660 1.759 1.00 44.45 H new ATOM 855 N LEU A 57 56.630 -21.246 0.350 1.00 33.41 N ATOM 856 CA LEU A 57 57.786 -20.655 -0.305 1.00 40.31 C ATOM 857 C LEU A 57 58.646 -20.009 0.773 1.00 40.54 C ATOM 858 O LEU A 57 59.870 -20.056 0.726 1.00 5.14 O ATOM 859 CB LEU A 57 57.338 -19.624 -1.381 1.00 53.03 C ATOM 860 CG LEU A 57 58.323 -19.291 -2.519 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.609 -18.572 -3.640 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.461 -18.427 -2.045 1.00 3.30 C ATOM 0 H LEU A 57 55.737 -20.823 0.095 1.00 33.41 H new ATOM 0 HA LEU A 57 58.366 -21.416 -0.827 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.417 -19.992 -1.833 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.092 -18.693 -0.870 1.00 53.03 H new ATOM 0 HG LEU A 57 58.727 -20.239 -2.873 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.318 -18.344 -4.436 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.815 -19.208 -4.033 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.178 -17.645 -3.261 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.130 -18.217 -2.879 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.067 -17.490 -1.651 1.00 3.30 H new ATOM 0 HD23 LEU A 57 60.011 -18.947 -1.261 1.00 3.30 H new ATOM 874 N GLY A 58 57.967 -19.487 1.790 1.00 34.05 N ATOM 875 CA GLY A 58 58.633 -18.885 2.916 1.00 74.30 C ATOM 876 C GLY A 58 59.453 -19.881 3.682 1.00 10.41 C ATOM 877 O GLY A 58 60.568 -19.573 4.094 1.00 32.52 O ATOM 0 H GLY A 58 56.949 -19.474 1.847 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.276 -18.077 2.567 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.892 -18.439 3.579 1.00 74.30 H new ATOM 881 N GLN A 59 58.923 -21.106 3.828 1.00 63.23 N ATOM 882 CA GLN A 59 59.633 -22.175 4.539 1.00 64.13 C ATOM 883 C GLN A 59 60.934 -22.441 3.822 1.00 12.12 C ATOM 884 O GLN A 59 61.971 -22.598 4.435 1.00 60.00 O ATOM 885 CB GLN A 59 58.846 -23.502 4.548 1.00 61.45 C ATOM 886 CG GLN A 59 57.404 -23.429 5.000 1.00 71.21 C ATOM 887 CD GLN A 59 57.211 -22.885 6.391 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.051 -23.043 7.283 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.120 -22.222 6.579 1.00 73.55 N ATOM 0 H GLN A 59 58.010 -21.377 3.464 1.00 63.23 H new ATOM 0 HA GLN A 59 59.775 -21.843 5.567 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.867 -23.918 3.541 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.371 -24.205 5.194 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.848 -22.805 4.300 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.970 -24.428 4.951 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.451 -22.114 5.817 1.00 73.55 H new ATOM 0 HE22 GLN A 59 55.927 -21.806 7.490 1.00 73.55 H new ATOM 898 N TYR A 60 60.858 -22.441 2.503 1.00 52.35 N ATOM 899 CA TYR A 60 61.988 -22.738 1.654 1.00 12.25 C ATOM 900 C TYR A 60 63.092 -21.686 1.796 1.00 54.12 C ATOM 901 O TYR A 60 64.267 -22.022 1.889 1.00 53.15 O ATOM 902 CB TYR A 60 61.527 -22.863 0.198 1.00 33.44 C ATOM 903 CG TYR A 60 62.582 -23.399 -0.738 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.984 -24.722 -0.661 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.156 -22.595 -1.708 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.927 -25.231 -1.519 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.108 -23.096 -2.574 1.00 63.13 C ATOM 908 CZ TYR A 60 64.488 -24.417 -2.473 1.00 64.01 C ATOM 909 OH TYR A 60 65.426 -24.933 -3.340 1.00 62.05 O ATOM 0 H TYR A 60 60.001 -22.233 1.991 1.00 52.35 H new ATOM 0 HA TYR A 60 62.414 -23.690 1.971 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.656 -23.517 0.159 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.206 -21.883 -0.156 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.547 -25.366 0.088 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.855 -21.561 -1.789 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.226 -26.266 -1.444 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.551 -22.458 -3.324 1.00 63.13 H new ATOM 0 HH TYR A 60 66.266 -24.437 -3.246 1.00 62.05 H new ATOM 919 N ILE A 61 62.707 -20.433 1.875 1.00 22.33 N ATOM 920 CA ILE A 61 63.671 -19.347 1.980 1.00 54.32 C ATOM 921 C ILE A 61 64.297 -19.382 3.363 1.00 22.41 C ATOM 922 O ILE A 61 65.502 -19.146 3.523 1.00 45.34 O ATOM 923 CB ILE A 61 62.991 -17.975 1.772 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.182 -17.977 0.483 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.037 -16.847 1.707 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.423 -16.696 0.220 1.00 12.42 C ATOM 0 H ILE A 61 61.732 -20.134 1.869 1.00 22.33 H new ATOM 0 HA ILE A 61 64.428 -19.477 1.207 1.00 54.32 H new ATOM 0 HB ILE A 61 62.330 -17.799 2.621 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.855 -18.165 -0.354 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.474 -18.805 0.514 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.533 -15.892 1.560 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.601 -16.820 2.639 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.718 -17.030 0.876 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.875 -16.784 -0.718 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.722 -16.515 1.035 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.125 -15.865 0.153 1.00 12.42 H new ATOM 938 N MET A 62 63.471 -19.710 4.348 1.00 72.44 N ATOM 939 CA MET A 62 63.896 -19.811 5.734 1.00 41.23 C ATOM 940 C MET A 62 64.852 -20.972 5.932 1.00 61.21 C ATOM 941 O MET A 62 65.938 -20.796 6.458 1.00 12.42 O ATOM 942 CB MET A 62 62.698 -19.980 6.687 1.00 32.32 C ATOM 943 CG MET A 62 61.790 -18.764 6.849 1.00 13.52 C ATOM 944 SD MET A 62 62.565 -17.382 7.723 1.00 44.31 S ATOM 945 CE MET A 62 62.895 -18.112 9.326 1.00 63.31 C ATOM 0 H MET A 62 62.482 -19.914 4.205 1.00 72.44 H new ATOM 0 HA MET A 62 64.406 -18.877 5.971 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.093 -20.815 6.333 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.079 -20.257 7.670 1.00 32.32 H new ATOM 0 HG2 MET A 62 61.473 -18.425 5.863 1.00 13.52 H new ATOM 0 HG3 MET A 62 60.891 -19.063 7.387 1.00 13.52 H new ATOM 0 HE1 MET A 62 63.014 -17.322 10.068 1.00 63.31 H new ATOM 0 HE2 MET A 62 62.062 -18.755 9.611 1.00 63.31 H new ATOM 0 HE3 MET A 62 63.809 -18.703 9.275 1.00 63.31 H new ATOM 955 N THR A 63 64.464 -22.137 5.447 1.00 24.30 N ATOM 956 CA THR A 63 65.230 -23.366 5.671 1.00 13.21 C ATOM 957 C THR A 63 66.577 -23.340 4.929 1.00 64.20 C ATOM 958 O THR A 63 67.559 -23.932 5.369 1.00 74.44 O ATOM 959 CB THR A 63 64.403 -24.652 5.297 1.00 32.20 C ATOM 960 OG1 THR A 63 65.087 -25.843 5.716 1.00 73.21 O ATOM 961 CG2 THR A 63 64.153 -24.747 3.801 1.00 71.34 C ATOM 0 H THR A 63 63.619 -22.266 4.891 1.00 24.30 H new ATOM 0 HA THR A 63 65.441 -23.413 6.739 1.00 13.21 H new ATOM 0 HB THR A 63 63.448 -24.567 5.816 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.554 -26.629 5.474 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.579 -25.648 3.584 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.594 -23.872 3.469 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.107 -24.789 3.275 1.00 71.34 H new ATOM 969 N LYS A 64 66.626 -22.636 3.833 1.00 74.50 N ATOM 970 CA LYS A 64 67.851 -22.538 3.065 1.00 35.22 C ATOM 971 C LYS A 64 68.642 -21.327 3.494 1.00 24.12 C ATOM 972 O LYS A 64 69.804 -21.167 3.115 1.00 50.03 O ATOM 973 CB LYS A 64 67.528 -22.434 1.596 1.00 41.22 C ATOM 974 CG LYS A 64 66.749 -23.593 1.047 1.00 22.42 C ATOM 975 CD LYS A 64 67.505 -24.901 1.142 1.00 13.51 C ATOM 976 CE LYS A 64 66.667 -26.051 0.623 1.00 12.10 C ATOM 977 NZ LYS A 64 67.341 -27.338 0.815 1.00 42.24 N ATOM 0 H LYS A 64 65.837 -22.119 3.446 1.00 74.50 H new ATOM 0 HA LYS A 64 68.447 -23.433 3.243 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.962 -21.518 1.425 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.460 -22.341 1.038 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.807 -23.682 1.589 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.500 -23.397 0.004 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.430 -24.833 0.569 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.785 -25.089 2.179 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.706 -26.063 1.137 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.460 -25.902 -0.437 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.739 -28.103 0.449 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.247 -27.335 0.304 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.516 -27.491 1.829 1.00 42.24 H new ATOM 991 N ARG A 65 67.977 -20.466 4.251 1.00 62.41 N ATOM 992 CA ARG A 65 68.555 -19.211 4.782 1.00 10.24 C ATOM 993 C ARG A 65 68.990 -18.312 3.637 1.00 55.32 C ATOM 994 O ARG A 65 70.060 -17.710 3.664 1.00 33.21 O ATOM 995 CB ARG A 65 69.743 -19.446 5.755 1.00 10.13 C ATOM 996 CG ARG A 65 69.392 -19.902 7.172 1.00 12.01 C ATOM 997 CD ARG A 65 68.886 -21.325 7.236 1.00 0.21 C ATOM 998 NE ARG A 65 68.533 -21.704 8.605 1.00 35.32 N ATOM 999 CZ ARG A 65 68.007 -22.876 8.975 1.00 62.31 C ATOM 1000 NH1 ARG A 65 67.851 -23.857 8.092 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.663 -23.068 10.237 1.00 23.34 N ATOM 0 H ARG A 65 67.005 -20.610 4.525 1.00 62.41 H new ATOM 0 HA ARG A 65 67.769 -18.726 5.361 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.403 -20.191 5.312 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.312 -18.519 5.827 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.275 -19.809 7.805 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.634 -19.236 7.583 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.014 -21.432 6.591 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.650 -22.002 6.855 1.00 0.21 H new ATOM 0 HE ARG A 65 68.703 -21.016 9.339 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.134 -23.719 7.122 1.00 53.35 H new ATOM 0 HH12 ARG A 65 67.449 -24.747 8.385 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.799 -22.324 10.922 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.261 -23.960 10.526 1.00 23.34 H new ATOM 1015 N LEU A 66 68.119 -18.185 2.663 1.00 53.51 N ATOM 1016 CA LEU A 66 68.413 -17.439 1.444 1.00 71.15 C ATOM 1017 C LEU A 66 68.193 -15.951 1.612 1.00 32.04 C ATOM 1018 O LEU A 66 68.444 -15.160 0.682 1.00 73.22 O ATOM 1019 CB LEU A 66 67.555 -17.962 0.305 1.00 33.23 C ATOM 1020 CG LEU A 66 67.837 -19.388 -0.137 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.797 -19.848 -1.138 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.236 -19.504 -0.732 1.00 42.44 C ATOM 0 H LEU A 66 67.184 -18.593 2.686 1.00 53.51 H new ATOM 0 HA LEU A 66 69.469 -17.587 1.216 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.509 -17.895 0.603 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.685 -17.303 -0.554 1.00 33.23 H new ATOM 0 HG LEU A 66 67.785 -20.033 0.740 1.00 74.22 H new ATOM 0 HD11 LEU A 66 67.014 -20.871 -1.444 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.809 -19.808 -0.680 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.819 -19.196 -2.011 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.416 -20.534 -1.041 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.319 -18.846 -1.597 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.975 -19.216 0.016 1.00 42.44 H new ATOM 1034 N TYR A 67 67.722 -15.561 2.765 1.00 50.33 N ATOM 1035 CA TYR A 67 67.478 -14.171 3.015 1.00 63.44 C ATOM 1036 C TYR A 67 68.664 -13.575 3.745 1.00 41.21 C ATOM 1037 O TYR A 67 69.544 -14.318 4.215 1.00 0.14 O ATOM 1038 CB TYR A 67 66.157 -13.943 3.779 1.00 32.51 C ATOM 1039 CG TYR A 67 66.116 -14.515 5.178 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.569 -13.771 6.250 1.00 64.31 C ATOM 1041 CD2 TYR A 67 65.619 -15.785 5.428 1.00 24.21 C ATOM 1042 CE1 TYR A 67 66.536 -14.268 7.529 1.00 44.51 C ATOM 1043 CE2 TYR A 67 65.580 -16.287 6.712 1.00 3.00 C ATOM 1044 CZ TYR A 67 66.041 -15.520 7.757 1.00 62.24 C ATOM 1045 OH TYR A 67 66.009 -16.012 9.044 1.00 52.04 O ATOM 0 H TYR A 67 67.501 -16.184 3.542 1.00 50.33 H new ATOM 0 HA TYR A 67 67.362 -13.660 2.059 1.00 63.44 H new ATOM 0 HB2 TYR A 67 65.969 -12.871 3.836 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.342 -14.379 3.201 1.00 32.51 H new ATOM 0 HD1 TYR A 67 66.957 -12.778 6.078 1.00 64.31 H new ATOM 0 HD2 TYR A 67 65.258 -16.388 4.608 1.00 24.21 H new ATOM 0 HE1 TYR A 67 66.900 -13.671 8.352 1.00 44.51 H new ATOM 0 HE2 TYR A 67 65.190 -17.277 6.896 1.00 3.00 H new ATOM 0 HH TYR A 67 65.628 -16.915 9.040 1.00 52.04 H new ATOM 1055 N ASP A 68 68.693 -12.278 3.854 1.00 63.44 N ATOM 1056 CA ASP A 68 69.793 -11.601 4.496 1.00 21.32 C ATOM 1057 C ASP A 68 69.677 -11.711 5.991 1.00 52.35 C ATOM 1058 O ASP A 68 68.610 -11.530 6.559 1.00 13.34 O ATOM 1059 CB ASP A 68 69.861 -10.135 4.092 1.00 1.00 C ATOM 1060 CG ASP A 68 71.078 -9.431 4.656 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.112 -10.093 4.899 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.026 -8.208 4.868 1.00 24.12 O ATOM 0 H ASP A 68 67.962 -11.659 3.504 1.00 63.44 H new ATOM 0 HA ASP A 68 70.712 -12.087 4.168 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.875 -10.062 3.005 1.00 1.00 H new ATOM 0 HB3 ASP A 68 68.960 -9.626 4.434 1.00 1.00 H new ATOM 1067 N GLU A 69 70.774 -11.986 6.616 1.00 63.22 N ATOM 1068 CA GLU A 69 70.819 -12.136 8.048 1.00 62.14 C ATOM 1069 C GLU A 69 70.766 -10.774 8.739 1.00 64.00 C ATOM 1070 O GLU A 69 70.408 -10.676 9.922 1.00 30.11 O ATOM 1071 CB GLU A 69 72.076 -12.905 8.460 1.00 42.41 C ATOM 1072 CG GLU A 69 73.354 -12.337 7.873 1.00 61.33 C ATOM 1073 CD GLU A 69 74.582 -13.011 8.392 1.00 74.11 C ATOM 1074 OE1 GLU A 69 74.909 -14.118 7.926 1.00 24.54 O ATOM 1075 OE2 GLU A 69 75.263 -12.435 9.260 1.00 52.31 O ATOM 0 H GLU A 69 71.673 -12.115 6.153 1.00 63.22 H new ATOM 0 HA GLU A 69 69.945 -12.706 8.363 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.153 -12.903 9.547 1.00 42.41 H new ATOM 0 HB3 GLU A 69 71.974 -13.945 8.149 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.324 -12.434 6.788 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.408 -11.272 8.097 1.00 61.33 H new ATOM 1082 N LYS A 70 71.115 -9.721 8.004 1.00 21.31 N ATOM 1083 CA LYS A 70 71.121 -8.385 8.583 1.00 43.13 C ATOM 1084 C LYS A 70 69.774 -7.737 8.326 1.00 3.23 C ATOM 1085 O LYS A 70 69.291 -6.906 9.112 1.00 14.52 O ATOM 1086 CB LYS A 70 72.150 -7.512 7.876 1.00 51.11 C ATOM 1087 CG LYS A 70 73.399 -8.212 7.387 1.00 5.05 C ATOM 1088 CD LYS A 70 74.280 -8.748 8.490 1.00 31.00 C ATOM 1089 CE LYS A 70 75.529 -9.365 7.887 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.394 -9.998 8.895 1.00 33.03 N ATOM 0 H LYS A 70 71.392 -9.766 7.024 1.00 21.31 H new ATOM 0 HA LYS A 70 71.345 -8.470 9.646 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.667 -7.037 7.022 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.449 -6.715 8.557 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.109 -9.037 6.736 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.978 -7.516 6.780 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.553 -7.945 9.175 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.738 -9.493 9.073 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.240 -10.108 7.144 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.093 -8.594 7.363 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.292 -10.282 8.453 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.585 -9.322 9.662 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 75.918 -10.837 9.283 1.00 33.03 H new ATOM 1104 N GLN A 71 69.176 -8.108 7.215 1.00 50.03 N ATOM 1105 CA GLN A 71 67.899 -7.561 6.803 1.00 5.34 C ATOM 1106 C GLN A 71 66.963 -8.688 6.399 1.00 62.15 C ATOM 1107 O GLN A 71 67.069 -9.204 5.296 1.00 64.52 O ATOM 1108 CB GLN A 71 68.105 -6.662 5.586 1.00 3.32 C ATOM 1109 CG GLN A 71 69.180 -5.616 5.746 1.00 21.51 C ATOM 1110 CD GLN A 71 69.595 -5.037 4.428 1.00 43.20 C ATOM 1111 OE1 GLN A 71 69.073 -4.016 3.978 1.00 23.33 O ATOM 1112 NE2 GLN A 71 70.469 -5.723 3.767 1.00 3.50 N ATOM 0 H GLN A 71 69.561 -8.798 6.570 1.00 50.03 H new ATOM 0 HA GLN A 71 67.473 -6.996 7.632 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.351 -7.287 4.728 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.163 -6.163 5.357 1.00 3.32 H new ATOM 0 HG2 GLN A 71 68.817 -4.819 6.395 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.047 -6.058 6.238 1.00 21.51 H new ATOM 0 HE21 GLN A 71 70.876 -6.563 4.179 1.00 3.50 H new ATOM 0 HE22 GLN A 71 70.752 -5.424 2.834 1.00 3.50 H new ATOM 1121 N GLN A 72 66.040 -9.054 7.264 1.00 33.03 N ATOM 1122 CA GLN A 72 65.119 -10.147 6.964 1.00 64.41 C ATOM 1123 C GLN A 72 64.160 -9.792 5.830 1.00 73.12 C ATOM 1124 O GLN A 72 63.676 -10.653 5.132 1.00 1.14 O ATOM 1125 CB GLN A 72 64.387 -10.641 8.216 1.00 2.34 C ATOM 1126 CG GLN A 72 65.319 -11.334 9.202 1.00 64.34 C ATOM 1127 CD GLN A 72 64.601 -12.024 10.341 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.215 -13.198 10.232 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.447 -11.347 11.437 1.00 52.04 N ATOM 0 H GLN A 72 65.902 -8.619 8.176 1.00 33.03 H new ATOM 0 HA GLN A 72 65.722 -10.983 6.609 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.906 -9.796 8.709 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.596 -11.331 7.922 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.919 -12.069 8.665 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.010 -10.598 9.613 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.777 -10.383 11.492 1.00 52.04 H new ATOM 0 HE22 GLN A 72 63.996 -11.779 12.244 1.00 52.04 H new ATOM 1138 N HIS A 73 63.909 -8.508 5.646 1.00 20.12 N ATOM 1139 CA HIS A 73 63.082 -8.028 4.529 1.00 23.35 C ATOM 1140 C HIS A 73 63.791 -8.140 3.169 1.00 72.14 C ATOM 1141 O HIS A 73 63.181 -7.881 2.117 1.00 10.11 O ATOM 1142 CB HIS A 73 62.573 -6.575 4.758 1.00 41.31 C ATOM 1143 CG HIS A 73 63.646 -5.507 4.901 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.642 -4.327 4.193 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.724 -5.438 5.715 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.664 -3.586 4.561 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.340 -4.237 5.488 1.00 73.14 N ATOM 0 H HIS A 73 64.263 -7.769 6.253 1.00 20.12 H new ATOM 0 HA HIS A 73 62.217 -8.691 4.501 1.00 23.35 H new ATOM 0 HB2 HIS A 73 61.926 -6.302 3.924 1.00 41.31 H new ATOM 0 HB3 HIS A 73 61.956 -6.565 5.657 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.042 -6.194 6.418 1.00 65.33 H new ATOM 0 HE1 HIS A 73 64.909 -2.609 4.170 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.181 -3.901 5.957 1.00 73.14 H new ATOM 1155 N ILE A 74 65.050 -8.524 3.193 1.00 50.14 N ATOM 1156 CA ILE A 74 65.847 -8.639 1.993 1.00 22.31 C ATOM 1157 C ILE A 74 66.191 -10.085 1.736 1.00 55.40 C ATOM 1158 O ILE A 74 66.746 -10.767 2.596 1.00 73.00 O ATOM 1159 CB ILE A 74 67.151 -7.789 2.093 1.00 31.00 C ATOM 1160 CG1 ILE A 74 66.814 -6.299 2.186 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.110 -8.056 0.928 1.00 3.51 C ATOM 1162 CD1 ILE A 74 65.994 -5.794 1.023 1.00 73.44 C ATOM 0 H ILE A 74 65.550 -8.766 4.049 1.00 50.14 H new ATOM 0 HA ILE A 74 65.258 -8.255 1.160 1.00 22.31 H new ATOM 0 HB ILE A 74 67.665 -8.093 3.005 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.269 -6.115 3.112 1.00 41.50 H new ATOM 0 HG13 ILE A 74 67.741 -5.728 2.242 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.002 -7.441 1.043 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.393 -9.109 0.924 1.00 3.51 H new ATOM 0 HG23 ILE A 74 67.618 -7.809 -0.013 1.00 3.51 H new ATOM 0 HD11 ILE A 74 65.792 -4.731 1.155 1.00 73.44 H new ATOM 0 HD12 ILE A 74 66.546 -5.946 0.095 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.051 -6.340 0.978 1.00 73.44 H new ATOM 1174 N VAL A 75 65.848 -10.565 0.575 1.00 45.43 N ATOM 1175 CA VAL A 75 66.167 -11.910 0.221 1.00 24.42 C ATOM 1176 C VAL A 75 67.088 -11.891 -0.959 1.00 52.54 C ATOM 1177 O VAL A 75 66.843 -11.183 -1.923 1.00 42.31 O ATOM 1178 CB VAL A 75 64.919 -12.744 -0.135 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.285 -14.209 -0.316 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.842 -12.583 0.911 1.00 11.12 C ATOM 0 H VAL A 75 65.346 -10.040 -0.141 1.00 45.43 H new ATOM 0 HA VAL A 75 66.636 -12.376 1.088 1.00 24.42 H new ATOM 0 HB VAL A 75 64.524 -12.373 -1.080 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.390 -14.779 -0.567 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.014 -14.305 -1.121 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.713 -14.594 0.609 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.974 -13.182 0.635 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.220 -12.917 1.877 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.553 -11.534 0.977 1.00 11.12 H new ATOM 1190 N TYR A 76 68.153 -12.621 -0.886 1.00 5.33 N ATOM 1191 CA TYR A 76 69.044 -12.694 -2.000 1.00 2.23 C ATOM 1192 C TYR A 76 68.640 -13.850 -2.866 1.00 20.23 C ATOM 1193 O TYR A 76 68.315 -13.664 -4.029 1.00 22.13 O ATOM 1194 CB TYR A 76 70.501 -12.802 -1.551 1.00 71.42 C ATOM 1195 CG TYR A 76 70.966 -11.605 -0.749 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.024 -10.342 -1.328 1.00 34.51 C ATOM 1197 CD2 TYR A 76 71.345 -11.734 0.579 1.00 72.11 C ATOM 1198 CE1 TYR A 76 71.446 -9.245 -0.608 1.00 53.13 C ATOM 1199 CE2 TYR A 76 71.769 -10.639 1.300 1.00 3.12 C ATOM 1200 CZ TYR A 76 71.817 -9.400 0.706 1.00 44.23 C ATOM 1201 OH TYR A 76 72.240 -8.313 1.435 1.00 11.02 O ATOM 0 H TYR A 76 68.427 -13.172 -0.073 1.00 5.33 H new ATOM 0 HA TYR A 76 68.974 -11.773 -2.578 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.624 -13.704 -0.951 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.138 -12.913 -2.428 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.733 -10.218 -2.361 1.00 34.51 H new ATOM 0 HD2 TYR A 76 71.307 -12.704 1.053 1.00 72.11 H new ATOM 0 HE1 TYR A 76 71.485 -8.271 -1.073 1.00 53.13 H new ATOM 0 HE2 TYR A 76 72.064 -10.754 2.333 1.00 3.12 H new ATOM 0 HH TYR A 76 72.463 -8.597 2.346 1.00 11.02 H new ATOM 1211 N CYS A 77 68.610 -15.047 -2.265 1.00 54.53 N ATOM 1212 CA CYS A 77 68.233 -16.317 -2.927 1.00 52.14 C ATOM 1213 C CYS A 77 68.964 -16.536 -4.254 1.00 4.33 C ATOM 1214 O CYS A 77 68.513 -17.294 -5.119 1.00 62.20 O ATOM 1215 CB CYS A 77 66.694 -16.475 -3.061 1.00 61.41 C ATOM 1216 SG CYS A 77 65.834 -15.159 -3.937 1.00 54.33 S ATOM 0 H CYS A 77 68.852 -15.169 -1.282 1.00 54.53 H new ATOM 0 HA CYS A 77 68.571 -17.116 -2.267 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.489 -17.417 -3.571 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.269 -16.555 -2.060 1.00 61.41 H new ATOM 0 HG CYS A 77 66.695 -14.274 -4.344 1.00 54.33 H new ATOM 1222 N SER A 78 70.136 -15.952 -4.344 1.00 74.53 N ATOM 1223 CA SER A 78 70.971 -15.986 -5.507 1.00 1.24 C ATOM 1224 C SER A 78 71.646 -17.348 -5.581 1.00 20.30 C ATOM 1225 O SER A 78 71.930 -17.862 -6.656 1.00 21.43 O ATOM 1226 CB SER A 78 72.019 -14.893 -5.365 1.00 41.00 C ATOM 1227 OG SER A 78 71.422 -13.663 -4.953 1.00 62.31 O ATOM 0 H SER A 78 70.544 -15.421 -3.575 1.00 74.53 H new ATOM 0 HA SER A 78 70.389 -15.824 -6.414 1.00 1.24 H new ATOM 0 HB2 SER A 78 72.771 -15.198 -4.638 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.533 -14.751 -6.316 1.00 41.00 H new ATOM 0 HG SER A 78 70.671 -13.449 -5.545 1.00 62.31 H new ATOM 1233 N ASN A 79 71.850 -17.929 -4.404 1.00 41.54 N ATOM 1234 CA ASN A 79 72.474 -19.240 -4.244 1.00 73.42 C ATOM 1235 C ASN A 79 71.559 -20.339 -4.778 1.00 0.00 C ATOM 1236 O ASN A 79 72.008 -21.426 -5.147 1.00 53.23 O ATOM 1237 CB ASN A 79 72.761 -19.481 -2.750 1.00 72.51 C ATOM 1238 CG ASN A 79 73.464 -20.800 -2.477 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.696 -20.872 -2.491 1.00 34.51 O ATOM 1240 ND2 ASN A 79 72.710 -21.838 -2.194 1.00 12.14 N ATOM 0 H ASN A 79 71.583 -17.497 -3.520 1.00 41.54 H new ATOM 0 HA ASN A 79 73.405 -19.263 -4.810 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.375 -18.665 -2.369 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.821 -19.457 -2.198 1.00 72.51 H new ATOM 0 HD21 ASN A 79 73.140 -22.737 -1.977 1.00 12.14 H new ATOM 0 HD22 ASN A 79 71.694 -21.745 -2.191 1.00 12.14 H new ATOM 1247 N ASP A 80 70.289 -20.042 -4.851 1.00 63.10 N ATOM 1248 CA ASP A 80 69.303 -21.015 -5.266 1.00 44.31 C ATOM 1249 C ASP A 80 68.800 -20.618 -6.656 1.00 54.24 C ATOM 1250 O ASP A 80 69.287 -19.649 -7.229 1.00 62.42 O ATOM 1251 CB ASP A 80 68.152 -21.027 -4.251 1.00 54.35 C ATOM 1252 CG ASP A 80 67.279 -22.275 -4.332 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.380 -22.335 -5.196 1.00 51.55 O ATOM 1254 OD2 ASP A 80 67.502 -23.222 -3.534 1.00 31.11 O ATOM 0 H ASP A 80 69.906 -19.124 -4.626 1.00 63.10 H new ATOM 0 HA ASP A 80 69.733 -22.016 -5.310 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.565 -20.947 -3.245 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.529 -20.147 -4.411 1.00 54.35 H new ATOM 1259 N LEU A 81 67.848 -21.332 -7.184 1.00 71.31 N ATOM 1260 CA LEU A 81 67.299 -21.038 -8.493 1.00 11.32 C ATOM 1261 C LEU A 81 66.079 -20.112 -8.299 1.00 12.11 C ATOM 1262 O LEU A 81 65.693 -19.371 -9.204 1.00 75.03 O ATOM 1263 CB LEU A 81 66.938 -22.383 -9.195 1.00 25.11 C ATOM 1264 CG LEU A 81 66.658 -22.400 -10.730 1.00 40.03 C ATOM 1265 CD1 LEU A 81 65.332 -21.764 -11.096 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.793 -21.726 -11.493 1.00 21.25 C ATOM 0 H LEU A 81 67.424 -22.138 -6.725 1.00 71.31 H new ATOM 0 HA LEU A 81 68.013 -20.521 -9.135 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.754 -23.080 -9.005 1.00 25.11 H new ATOM 0 HB3 LEU A 81 66.055 -22.784 -8.698 1.00 25.11 H new ATOM 0 HG LEU A 81 66.599 -23.449 -11.021 1.00 40.03 H new ATOM 0 HD11 LEU A 81 65.194 -21.806 -12.176 1.00 43.44 H new ATOM 0 HD12 LEU A 81 64.522 -22.304 -10.606 1.00 43.44 H new ATOM 0 HD13 LEU A 81 65.325 -20.724 -10.770 1.00 43.44 H new ATOM 0 HD21 LEU A 81 67.577 -21.749 -12.561 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.888 -20.691 -11.164 1.00 21.25 H new ATOM 0 HD23 LEU A 81 68.726 -22.255 -11.300 1.00 21.25 H new ATOM 1278 N LEU A 82 65.539 -20.144 -7.066 1.00 22.23 N ATOM 1279 CA LEU A 82 64.351 -19.376 -6.612 1.00 31.14 C ATOM 1280 C LEU A 82 64.323 -17.946 -7.193 1.00 51.53 C ATOM 1281 O LEU A 82 63.431 -17.599 -7.979 1.00 75.13 O ATOM 1282 CB LEU A 82 64.380 -19.316 -5.052 1.00 51.31 C ATOM 1283 CG LEU A 82 63.116 -18.832 -4.266 1.00 44.45 C ATOM 1284 CD1 LEU A 82 63.379 -18.945 -2.789 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.737 -17.386 -4.559 1.00 64.25 C ATOM 0 H LEU A 82 65.929 -20.727 -6.325 1.00 22.23 H new ATOM 0 HA LEU A 82 63.452 -19.879 -6.968 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.622 -20.316 -4.693 1.00 51.31 H new ATOM 0 HB3 LEU A 82 65.208 -18.666 -4.767 1.00 51.31 H new ATOM 0 HG LEU A 82 62.291 -19.467 -4.589 1.00 44.45 H new ATOM 0 HD11 LEU A 82 62.502 -18.609 -2.236 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.592 -19.984 -2.536 1.00 51.52 H new ATOM 0 HD13 LEU A 82 64.235 -18.324 -2.523 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.853 -17.117 -3.981 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.563 -16.730 -4.284 1.00 64.25 H new ATOM 0 HD23 LEU A 82 62.523 -17.274 -5.622 1.00 64.25 H new ATOM 1297 N GLY A 83 65.311 -17.146 -6.813 1.00 33.33 N ATOM 1298 CA GLY A 83 65.342 -15.749 -7.203 1.00 13.41 C ATOM 1299 C GLY A 83 65.459 -15.571 -8.679 1.00 23.02 C ATOM 1300 O GLY A 83 64.749 -14.744 -9.281 1.00 63.21 O ATOM 0 H GLY A 83 66.098 -17.443 -6.236 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.435 -15.257 -6.852 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.182 -15.257 -6.713 1.00 13.41 H new ATOM 1304 N ASP A 84 66.312 -16.369 -9.278 1.00 74.23 N ATOM 1305 CA ASP A 84 66.559 -16.303 -10.696 1.00 72.30 C ATOM 1306 C ASP A 84 65.268 -16.417 -11.445 1.00 60.45 C ATOM 1307 O ASP A 84 64.938 -15.530 -12.216 1.00 21.25 O ATOM 1308 CB ASP A 84 67.518 -17.392 -11.151 1.00 32.43 C ATOM 1309 CG ASP A 84 67.855 -17.261 -12.614 1.00 23.04 C ATOM 1310 OD1 ASP A 84 68.648 -16.360 -12.962 1.00 12.11 O ATOM 1311 OD2 ASP A 84 67.380 -18.073 -13.439 1.00 34.12 O ATOM 0 H ASP A 84 66.855 -17.083 -8.793 1.00 74.23 H new ATOM 0 HA ASP A 84 67.023 -15.340 -10.908 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.433 -17.341 -10.561 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.073 -18.370 -10.966 1.00 32.43 H new ATOM 1316 N LEU A 85 64.497 -17.441 -11.081 1.00 51.32 N ATOM 1317 CA LEU A 85 63.219 -17.802 -11.665 1.00 55.15 C ATOM 1318 C LEU A 85 62.168 -16.704 -11.472 1.00 45.10 C ATOM 1319 O LEU A 85 61.253 -16.529 -12.296 1.00 62.02 O ATOM 1320 CB LEU A 85 62.776 -19.050 -10.974 1.00 35.13 C ATOM 1321 CG LEU A 85 61.584 -19.747 -11.539 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.864 -20.254 -12.950 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.143 -20.866 -10.624 1.00 34.22 C ATOM 0 H LEU A 85 64.769 -18.073 -10.328 1.00 51.32 H new ATOM 0 HA LEU A 85 63.329 -17.943 -12.740 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.610 -19.752 -10.973 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.564 -18.805 -9.933 1.00 35.13 H new ATOM 0 HG LEU A 85 60.766 -19.030 -11.609 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.979 -20.758 -13.338 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.115 -19.413 -13.596 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.699 -20.954 -12.926 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.272 -21.364 -11.051 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.954 -21.586 -10.512 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.884 -20.457 -9.647 1.00 34.22 H new ATOM 1335 N PHE A 86 62.286 -15.980 -10.385 1.00 13.22 N ATOM 1336 CA PHE A 86 61.455 -14.804 -10.143 1.00 14.21 C ATOM 1337 C PHE A 86 61.804 -13.718 -11.155 1.00 25.43 C ATOM 1338 O PHE A 86 61.022 -12.806 -11.424 1.00 74.23 O ATOM 1339 CB PHE A 86 61.672 -14.280 -8.725 1.00 60.11 C ATOM 1340 CG PHE A 86 60.888 -14.970 -7.637 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.192 -16.150 -7.871 1.00 60.04 C ATOM 1342 CD2 PHE A 86 60.830 -14.406 -6.376 1.00 61.20 C ATOM 1343 CE1 PHE A 86 59.460 -16.742 -6.864 1.00 63.23 C ATOM 1344 CE2 PHE A 86 60.104 -14.995 -5.369 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.417 -16.160 -5.612 1.00 2.54 C ATOM 0 H PHE A 86 62.954 -16.180 -9.641 1.00 13.22 H new ATOM 0 HA PHE A 86 60.407 -15.083 -10.253 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.733 -14.361 -8.488 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.422 -13.219 -8.709 1.00 60.11 H new ATOM 0 HD1 PHE A 86 60.225 -16.607 -8.849 1.00 60.04 H new ATOM 0 HD2 PHE A 86 61.364 -13.488 -6.179 1.00 61.20 H new ATOM 0 HE1 PHE A 86 58.921 -17.659 -7.054 1.00 63.23 H new ATOM 0 HE2 PHE A 86 60.073 -14.543 -4.389 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.842 -16.621 -4.823 1.00 2.54 H new ATOM 1355 N GLY A 87 62.969 -13.862 -11.726 1.00 24.41 N ATOM 1356 CA GLY A 87 63.474 -12.941 -12.716 1.00 31.24 C ATOM 1357 C GLY A 87 64.416 -11.984 -12.083 1.00 3.13 C ATOM 1358 O GLY A 87 64.705 -10.913 -12.624 1.00 20.13 O ATOM 0 H GLY A 87 63.605 -14.631 -11.516 1.00 24.41 H new ATOM 0 HA2 GLY A 87 63.979 -13.489 -13.511 1.00 31.24 H new ATOM 0 HA3 GLY A 87 62.648 -12.400 -13.177 1.00 31.24 H new ATOM 1362 N VAL A 88 64.932 -12.372 -10.950 1.00 0.24 N ATOM 1363 CA VAL A 88 65.701 -11.433 -10.147 1.00 65.43 C ATOM 1364 C VAL A 88 67.033 -11.979 -9.632 1.00 62.04 C ATOM 1365 O VAL A 88 67.280 -13.191 -9.646 1.00 2.43 O ATOM 1366 CB VAL A 88 64.863 -10.874 -8.948 1.00 34.42 C ATOM 1367 CG1 VAL A 88 63.643 -10.092 -9.417 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.449 -11.970 -7.986 1.00 52.45 C ATOM 0 H VAL A 88 64.843 -13.310 -10.559 1.00 0.24 H new ATOM 0 HA VAL A 88 65.942 -10.624 -10.837 1.00 65.43 H new ATOM 0 HB VAL A 88 65.518 -10.185 -8.414 1.00 34.42 H new ATOM 0 HG11 VAL A 88 63.092 -9.724 -8.552 1.00 53.13 H new ATOM 0 HG12 VAL A 88 63.964 -9.249 -10.029 1.00 53.13 H new ATOM 0 HG13 VAL A 88 62.998 -10.743 -10.007 1.00 53.13 H new ATOM 0 HG21 VAL A 88 63.870 -11.538 -7.170 1.00 52.45 H new ATOM 0 HG22 VAL A 88 63.841 -12.706 -8.513 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.338 -12.455 -7.583 1.00 52.45 H new ATOM 1378 N PRO A 89 67.961 -11.073 -9.246 1.00 11.32 N ATOM 1379 CA PRO A 89 69.188 -11.452 -8.561 1.00 74.43 C ATOM 1380 C PRO A 89 68.931 -11.605 -7.054 1.00 61.01 C ATOM 1381 O PRO A 89 69.530 -12.442 -6.392 1.00 1.24 O ATOM 1382 CB PRO A 89 70.141 -10.259 -8.816 1.00 25.13 C ATOM 1383 CG PRO A 89 69.390 -9.312 -9.709 1.00 40.51 C ATOM 1384 CD PRO A 89 67.937 -9.624 -9.521 1.00 22.11 C ATOM 0 HA PRO A 89 69.590 -12.402 -8.913 1.00 74.43 H new ATOM 0 HB2 PRO A 89 70.419 -9.775 -7.880 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.065 -10.592 -9.289 1.00 25.13 H new ATOM 0 HG2 PRO A 89 69.603 -8.276 -9.445 1.00 40.51 H new ATOM 0 HG3 PRO A 89 69.685 -9.442 -10.750 1.00 40.51 H new ATOM 0 HD2 PRO A 89 67.503 -9.060 -8.695 1.00 22.11 H new ATOM 0 HD3 PRO A 89 67.352 -9.388 -10.410 1.00 22.11 H new ATOM 1392 N SER A 90 68.011 -10.794 -6.558 1.00 72.45 N ATOM 1393 CA SER A 90 67.612 -10.735 -5.175 1.00 0.12 C ATOM 1394 C SER A 90 66.219 -10.091 -5.141 1.00 72.25 C ATOM 1395 O SER A 90 65.793 -9.507 -6.163 1.00 42.34 O ATOM 1396 CB SER A 90 68.639 -9.885 -4.395 1.00 14.22 C ATOM 1397 OG SER A 90 68.828 -8.608 -5.013 1.00 32.43 O ATOM 0 H SER A 90 67.502 -10.130 -7.142 1.00 72.45 H new ATOM 0 HA SER A 90 67.575 -11.722 -4.715 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.298 -9.749 -3.369 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.591 -10.413 -4.347 1.00 14.22 H new ATOM 0 HG SER A 90 69.481 -8.089 -4.499 1.00 32.43 H new ATOM 1403 N PHE A 91 65.509 -10.155 -4.026 1.00 22.52 N ATOM 1404 CA PHE A 91 64.188 -9.589 -3.989 1.00 23.10 C ATOM 1405 C PHE A 91 63.870 -9.017 -2.610 1.00 42.12 C ATOM 1406 O PHE A 91 64.407 -9.470 -1.598 1.00 74.32 O ATOM 1407 CB PHE A 91 63.105 -10.596 -4.479 1.00 64.21 C ATOM 1408 CG PHE A 91 62.621 -11.665 -3.510 1.00 51.33 C ATOM 1409 CD1 PHE A 91 61.536 -11.399 -2.709 1.00 4.31 C ATOM 1410 CD2 PHE A 91 63.195 -12.944 -3.438 1.00 11.25 C ATOM 1411 CE1 PHE A 91 61.030 -12.340 -1.871 1.00 61.22 C ATOM 1412 CE2 PHE A 91 62.681 -13.888 -2.581 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.596 -13.588 -1.798 1.00 72.40 C ATOM 0 H PHE A 91 65.824 -10.585 -3.157 1.00 22.52 H new ATOM 0 HA PHE A 91 64.169 -8.757 -4.693 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.237 -10.020 -4.799 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.496 -11.101 -5.362 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.077 -10.422 -2.747 1.00 4.31 H new ATOM 0 HD2 PHE A 91 64.044 -13.188 -4.059 1.00 11.25 H new ATOM 0 HE1 PHE A 91 60.174 -12.104 -1.256 1.00 61.22 H new ATOM 0 HE2 PHE A 91 63.132 -14.867 -2.524 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.189 -14.330 -1.127 1.00 72.40 H new ATOM 1423 N SER A 92 63.026 -8.019 -2.586 1.00 13.21 N ATOM 1424 CA SER A 92 62.638 -7.364 -1.363 1.00 63.42 C ATOM 1425 C SER A 92 61.186 -7.717 -1.052 1.00 12.35 C ATOM 1426 O SER A 92 60.316 -7.577 -1.911 1.00 65.40 O ATOM 1427 CB SER A 92 62.802 -5.862 -1.545 1.00 64.34 C ATOM 1428 OG SER A 92 64.105 -5.572 -2.030 1.00 72.34 O ATOM 0 H SER A 92 62.585 -7.634 -3.421 1.00 13.21 H new ATOM 0 HA SER A 92 63.262 -7.691 -0.532 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.053 -5.488 -2.243 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.636 -5.352 -0.596 1.00 64.34 H new ATOM 0 HG SER A 92 64.203 -4.604 -2.146 1.00 72.34 H new ATOM 1434 N VAL A 93 60.927 -8.159 0.168 1.00 15.21 N ATOM 1435 CA VAL A 93 59.591 -8.639 0.548 1.00 44.32 C ATOM 1436 C VAL A 93 58.566 -7.518 0.696 1.00 70.53 C ATOM 1437 O VAL A 93 57.364 -7.760 0.656 1.00 62.34 O ATOM 1438 CB VAL A 93 59.616 -9.464 1.848 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.545 -10.642 1.716 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.004 -8.608 3.034 1.00 71.25 C ATOM 0 H VAL A 93 61.618 -8.199 0.918 1.00 15.21 H new ATOM 0 HA VAL A 93 59.283 -9.277 -0.281 1.00 44.32 H new ATOM 0 HB VAL A 93 58.608 -9.840 2.022 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.547 -11.210 2.646 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.208 -11.282 0.901 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.554 -10.288 1.506 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.013 -9.219 3.937 1.00 71.25 H new ATOM 0 HG22 VAL A 93 60.997 -8.188 2.871 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.283 -7.799 3.150 1.00 71.25 H new ATOM 1450 N LYS A 94 59.036 -6.301 0.895 1.00 25.30 N ATOM 1451 CA LYS A 94 58.137 -5.185 1.061 1.00 34.12 C ATOM 1452 C LYS A 94 57.587 -4.674 -0.271 1.00 43.13 C ATOM 1453 O LYS A 94 56.750 -3.768 -0.294 1.00 62.22 O ATOM 1454 CB LYS A 94 58.785 -4.080 1.891 1.00 44.32 C ATOM 1455 CG LYS A 94 59.210 -4.549 3.279 1.00 11.41 C ATOM 1456 CD LYS A 94 58.014 -4.960 4.130 1.00 61.24 C ATOM 1457 CE LYS A 94 58.468 -5.625 5.416 1.00 64.21 C ATOM 1458 NZ LYS A 94 57.340 -5.890 6.349 1.00 40.32 N ATOM 0 H LYS A 94 60.027 -6.065 0.945 1.00 25.30 H new ATOM 0 HA LYS A 94 57.271 -5.543 1.618 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.657 -3.698 1.360 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.085 -3.251 1.992 1.00 44.32 H new ATOM 0 HG2 LYS A 94 59.895 -5.392 3.184 1.00 11.41 H new ATOM 0 HG3 LYS A 94 59.756 -3.750 3.781 1.00 11.41 H new ATOM 0 HD2 LYS A 94 57.410 -4.083 4.363 1.00 61.24 H new ATOM 0 HD3 LYS A 94 57.379 -5.644 3.566 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.968 -6.564 5.179 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.203 -4.989 5.910 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 57.702 -6.345 7.211 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 56.878 -4.992 6.599 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 56.650 -6.519 5.890 1.00 40.32 H new ATOM 1472 N GLU A 95 58.043 -5.234 -1.372 1.00 41.22 N ATOM 1473 CA GLU A 95 57.454 -4.913 -2.651 1.00 25.25 C ATOM 1474 C GLU A 95 56.329 -5.885 -2.903 1.00 44.21 C ATOM 1475 O GLU A 95 56.486 -6.869 -3.616 1.00 11.24 O ATOM 1476 CB GLU A 95 58.415 -5.033 -3.783 1.00 62.12 C ATOM 1477 CG GLU A 95 59.695 -4.236 -3.665 1.00 1.24 C ATOM 1478 CD GLU A 95 59.464 -2.759 -3.539 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.510 -2.231 -4.131 1.00 30.24 O ATOM 1480 OE2 GLU A 95 60.276 -2.083 -2.886 1.00 35.23 O ATOM 0 H GLU A 95 58.810 -5.905 -1.406 1.00 41.22 H new ATOM 0 HA GLU A 95 57.118 -3.877 -2.606 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.677 -6.085 -3.899 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.906 -4.728 -4.697 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.253 -4.585 -2.796 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.316 -4.426 -4.541 1.00 1.24 H new ATOM 1487 N HIS A 96 55.225 -5.595 -2.318 1.00 61.03 N ATOM 1488 CA HIS A 96 54.050 -6.486 -2.298 1.00 22.11 C ATOM 1489 C HIS A 96 53.590 -6.932 -3.682 1.00 24.20 C ATOM 1490 O HIS A 96 53.396 -8.119 -3.913 1.00 4.12 O ATOM 1491 CB HIS A 96 52.862 -5.932 -1.444 1.00 0.11 C ATOM 1492 CG HIS A 96 52.254 -4.610 -1.886 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.503 -3.413 -1.253 1.00 0.33 N ATOM 1494 CD2 HIS A 96 51.379 -4.320 -2.883 1.00 64.43 C ATOM 1495 CE1 HIS A 96 51.824 -2.451 -1.830 1.00 53.21 C ATOM 1496 NE2 HIS A 96 51.130 -2.972 -2.827 1.00 71.43 N ATOM 0 H HIS A 96 55.077 -4.718 -1.819 1.00 61.03 H new ATOM 0 HA HIS A 96 54.406 -7.384 -1.792 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.072 -6.683 -1.435 1.00 0.11 H new ATOM 0 HB3 HIS A 96 53.207 -5.820 -0.416 1.00 0.11 H new ATOM 0 HD2 HIS A 96 50.957 -5.020 -3.589 1.00 64.43 H new ATOM 0 HE1 HIS A 96 51.831 -1.411 -1.540 1.00 53.21 H new ATOM 0 HE2 HIS A 96 50.511 -2.456 -3.452 1.00 71.43 H new ATOM 1504 N ARG A 97 53.472 -6.002 -4.610 1.00 61.45 N ATOM 1505 CA ARG A 97 52.985 -6.335 -5.936 1.00 2.00 C ATOM 1506 C ARG A 97 54.040 -7.093 -6.722 1.00 60.51 C ATOM 1507 O ARG A 97 53.711 -7.976 -7.501 1.00 63.44 O ATOM 1508 CB ARG A 97 52.477 -5.094 -6.692 1.00 25.22 C ATOM 1509 CG ARG A 97 51.975 -5.372 -8.115 1.00 31.52 C ATOM 1510 CD ARG A 97 50.806 -6.363 -8.155 1.00 61.22 C ATOM 1511 NE ARG A 97 50.417 -6.663 -9.540 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.514 -7.580 -9.938 1.00 35.43 C ATOM 1513 NH1 ARG A 97 48.792 -8.252 -9.054 1.00 32.04 N ATOM 1514 NH2 ARG A 97 49.313 -7.787 -11.232 1.00 50.15 N ATOM 0 H ARG A 97 53.704 -5.018 -4.473 1.00 61.45 H new ATOM 0 HA ARG A 97 52.125 -6.994 -5.819 1.00 2.00 H new ATOM 0 HB2 ARG A 97 51.669 -4.641 -6.118 1.00 25.22 H new ATOM 0 HB3 ARG A 97 53.282 -4.361 -6.742 1.00 25.22 H new ATOM 0 HG2 ARG A 97 51.664 -4.434 -8.575 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.797 -5.764 -8.714 1.00 31.52 H new ATOM 0 HD2 ARG A 97 51.088 -7.284 -7.645 1.00 61.22 H new ATOM 0 HD3 ARG A 97 49.954 -5.948 -7.616 1.00 61.22 H new ATOM 0 HE ARG A 97 50.877 -6.123 -10.273 1.00 52.14 H new ATOM 0 HH11 ARG A 97 48.916 -8.078 -8.057 1.00 32.04 H new ATOM 0 HH12 ARG A 97 48.112 -8.943 -9.371 1.00 32.04 H new ATOM 0 HH21 ARG A 97 49.841 -7.253 -11.922 1.00 50.15 H new ATOM 0 HH22 ARG A 97 48.630 -8.480 -11.538 1.00 50.15 H new ATOM 1528 N LYS A 98 55.303 -6.801 -6.444 1.00 3.30 N ATOM 1529 CA LYS A 98 56.400 -7.483 -7.112 1.00 1.24 C ATOM 1530 C LYS A 98 56.451 -8.920 -6.679 1.00 33.20 C ATOM 1531 O LYS A 98 56.773 -9.797 -7.468 1.00 63.32 O ATOM 1532 CB LYS A 98 57.750 -6.789 -6.875 1.00 62.12 C ATOM 1533 CG LYS A 98 58.088 -5.671 -7.865 1.00 4.31 C ATOM 1534 CD LYS A 98 57.032 -4.582 -7.920 1.00 4.22 C ATOM 1535 CE LYS A 98 57.384 -3.527 -8.962 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.549 -4.103 -10.322 1.00 63.10 N ATOM 0 H LYS A 98 55.592 -6.099 -5.763 1.00 3.30 H new ATOM 0 HA LYS A 98 56.212 -7.440 -8.185 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.756 -6.375 -5.867 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.539 -7.540 -6.916 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.045 -5.227 -7.589 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.211 -6.100 -8.860 1.00 4.31 H new ATOM 0 HD2 LYS A 98 56.063 -5.022 -8.157 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.938 -4.113 -6.941 1.00 4.22 H new ATOM 0 HE2 LYS A 98 56.602 -2.768 -8.985 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.306 -3.025 -8.669 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.534 -3.339 -11.027 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 58.457 -4.607 -10.378 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.772 -4.767 -10.515 1.00 63.10 H new ATOM 1550 N ILE A 99 56.093 -9.163 -5.423 1.00 54.20 N ATOM 1551 CA ILE A 99 56.021 -10.514 -4.907 1.00 3.41 C ATOM 1552 C ILE A 99 54.999 -11.283 -5.708 1.00 32.52 C ATOM 1553 O ILE A 99 55.280 -12.371 -6.207 1.00 34.24 O ATOM 1554 CB ILE A 99 55.614 -10.570 -3.403 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.524 -9.689 -2.538 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.611 -12.007 -2.889 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.001 -9.912 -2.741 1.00 13.25 C ATOM 0 H ILE A 99 55.849 -8.438 -4.748 1.00 54.20 H new ATOM 0 HA ILE A 99 57.017 -10.948 -4.994 1.00 3.41 H new ATOM 0 HB ILE A 99 54.600 -10.176 -3.327 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.297 -8.643 -2.746 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.285 -9.865 -1.489 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.324 -12.017 -1.838 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.899 -12.598 -3.465 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.608 -12.434 -2.997 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.563 -9.245 -2.087 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.249 -10.947 -2.503 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.261 -9.706 -3.779 1.00 13.25 H new ATOM 1569 N TYR A 100 53.830 -10.673 -5.883 1.00 43.11 N ATOM 1570 CA TYR A 100 52.743 -11.303 -6.603 1.00 15.13 C ATOM 1571 C TYR A 100 53.148 -11.609 -8.025 1.00 34.44 C ATOM 1572 O TYR A 100 52.983 -12.721 -8.475 1.00 3.54 O ATOM 1573 CB TYR A 100 51.473 -10.448 -6.605 1.00 21.14 C ATOM 1574 CG TYR A 100 51.036 -9.968 -5.232 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.137 -10.781 -4.104 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.529 -8.694 -5.069 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.751 -10.323 -2.861 1.00 62.13 C ATOM 1578 CE2 TYR A 100 50.139 -8.230 -3.835 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.252 -9.044 -2.734 1.00 51.34 C ATOM 1580 OH TYR A 100 49.862 -8.571 -1.497 1.00 40.22 O ATOM 0 H TYR A 100 53.617 -9.739 -5.532 1.00 43.11 H new ATOM 0 HA TYR A 100 52.520 -12.232 -6.079 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.635 -9.581 -7.245 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.662 -11.025 -7.050 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.523 -11.785 -4.205 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.437 -8.048 -5.930 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.839 -10.961 -1.994 1.00 62.13 H new ATOM 0 HE2 TYR A 100 49.745 -7.230 -3.732 1.00 71.11 H new ATOM 0 HH TYR A 100 50.519 -8.840 -0.822 1.00 40.22 H new ATOM 1590 N THR A 101 53.757 -10.652 -8.695 1.00 71.31 N ATOM 1591 CA THR A 101 54.134 -10.823 -10.083 1.00 4.12 C ATOM 1592 C THR A 101 55.254 -11.845 -10.275 1.00 22.22 C ATOM 1593 O THR A 101 55.287 -12.552 -11.285 1.00 14.53 O ATOM 1594 CB THR A 101 54.487 -9.486 -10.753 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.321 -8.714 -9.888 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.227 -8.712 -11.092 1.00 55.24 C ATOM 0 H THR A 101 54.002 -9.745 -8.299 1.00 71.31 H new ATOM 0 HA THR A 101 53.252 -11.224 -10.581 1.00 4.12 H new ATOM 0 HB THR A 101 55.026 -9.690 -11.678 1.00 52.21 H new ATOM 0 HG1 THR A 101 55.751 -9.305 -9.235 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.496 -7.768 -11.566 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.612 -9.298 -11.775 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.666 -8.513 -10.179 1.00 55.24 H new ATOM 1604 N MET A 102 56.148 -11.954 -9.305 1.00 34.35 N ATOM 1605 CA MET A 102 57.235 -12.930 -9.380 1.00 63.42 C ATOM 1606 C MET A 102 56.704 -14.346 -9.224 1.00 13.22 C ATOM 1607 O MET A 102 57.217 -15.296 -9.836 1.00 73.13 O ATOM 1608 CB MET A 102 58.337 -12.637 -8.359 1.00 43.15 C ATOM 1609 CG MET A 102 59.106 -11.348 -8.630 1.00 11.42 C ATOM 1610 SD MET A 102 60.444 -11.029 -7.449 1.00 45.04 S ATOM 1611 CE MET A 102 59.542 -11.009 -5.901 1.00 54.24 C ATOM 0 H MET A 102 56.147 -11.384 -8.459 1.00 34.35 H new ATOM 0 HA MET A 102 57.684 -12.842 -10.369 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.892 -12.581 -7.365 1.00 43.15 H new ATOM 0 HB3 MET A 102 59.039 -13.471 -8.347 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.525 -11.391 -9.636 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.409 -10.510 -8.610 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.228 -10.788 -5.083 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.767 -10.244 -5.942 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.082 -11.983 -5.735 1.00 54.24 H new ATOM 1621 N ILE A 103 55.642 -14.469 -8.461 1.00 3.21 N ATOM 1622 CA ILE A 103 55.007 -15.750 -8.224 1.00 52.20 C ATOM 1623 C ILE A 103 54.076 -16.055 -9.383 1.00 5.52 C ATOM 1624 O ILE A 103 54.058 -17.157 -9.910 1.00 70.30 O ATOM 1625 CB ILE A 103 54.213 -15.737 -6.894 1.00 14.12 C ATOM 1626 CG1 ILE A 103 55.170 -15.443 -5.736 1.00 12.42 C ATOM 1627 CG2 ILE A 103 53.500 -17.075 -6.675 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.491 -15.181 -4.408 1.00 2.12 C ATOM 0 H ILE A 103 55.193 -13.686 -7.986 1.00 3.21 H new ATOM 0 HA ILE A 103 55.774 -16.521 -8.147 1.00 52.20 H new ATOM 0 HB ILE A 103 53.453 -14.957 -6.940 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.850 -16.287 -5.621 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.778 -14.576 -5.996 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.949 -17.044 -5.735 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.807 -17.257 -7.497 1.00 5.55 H new ATOM 0 HG23 ILE A 103 54.236 -17.878 -6.637 1.00 5.55 H new ATOM 0 HD11 ILE A 103 55.245 -14.982 -3.647 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.832 -14.317 -4.500 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.906 -16.054 -4.120 1.00 2.12 H new ATOM 1640 N TYR A 104 53.349 -15.041 -9.802 1.00 40.11 N ATOM 1641 CA TYR A 104 52.429 -15.113 -10.911 1.00 44.15 C ATOM 1642 C TYR A 104 53.145 -15.499 -12.207 1.00 13.14 C ATOM 1643 O TYR A 104 52.603 -16.229 -13.027 1.00 40.12 O ATOM 1644 CB TYR A 104 51.652 -13.785 -11.000 1.00 10.23 C ATOM 1645 CG TYR A 104 51.345 -13.286 -12.369 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.255 -12.478 -13.011 1.00 23.41 C ATOM 1647 CD2 TYR A 104 50.168 -13.608 -13.012 1.00 54.33 C ATOM 1648 CE1 TYR A 104 52.008 -11.991 -14.275 1.00 54.14 C ATOM 1649 CE2 TYR A 104 49.901 -13.129 -14.275 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.825 -12.319 -14.905 1.00 60.51 C ATOM 1651 OH TYR A 104 50.565 -11.838 -16.165 1.00 1.15 O ATOM 0 H TYR A 104 53.385 -14.119 -9.367 1.00 40.11 H new ATOM 0 HA TYR A 104 51.703 -15.909 -10.747 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.712 -13.903 -10.461 1.00 10.23 H new ATOM 0 HB3 TYR A 104 52.225 -13.019 -10.478 1.00 10.23 H new ATOM 0 HD1 TYR A 104 53.179 -12.221 -12.515 1.00 23.41 H new ATOM 0 HD2 TYR A 104 49.447 -14.243 -12.519 1.00 54.33 H new ATOM 0 HE1 TYR A 104 52.732 -11.359 -14.768 1.00 54.14 H new ATOM 0 HE2 TYR A 104 48.976 -13.385 -14.769 1.00 5.31 H new ATOM 0 HH TYR A 104 49.691 -12.163 -16.465 1.00 1.15 H new ATOM 1661 N ARG A 105 54.381 -15.033 -12.356 1.00 53.53 N ATOM 1662 CA ARG A 105 55.220 -15.382 -13.504 1.00 5.51 C ATOM 1663 C ARG A 105 55.523 -16.891 -13.500 1.00 13.24 C ATOM 1664 O ARG A 105 55.864 -17.478 -14.525 1.00 2.23 O ATOM 1665 CB ARG A 105 56.557 -14.611 -13.450 1.00 24.32 C ATOM 1666 CG ARG A 105 57.449 -14.826 -14.673 1.00 13.52 C ATOM 1667 CD ARG A 105 58.846 -14.258 -14.482 1.00 62.13 C ATOM 1668 NE ARG A 105 59.656 -14.417 -15.695 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.960 -14.720 -15.741 1.00 63.44 C ATOM 1670 NH1 ARG A 105 61.610 -15.089 -14.649 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.590 -14.718 -16.908 1.00 43.11 N ATOM 0 H ARG A 105 54.830 -14.405 -11.689 1.00 53.53 H new ATOM 0 HA ARG A 105 54.679 -15.114 -14.412 1.00 5.51 H new ATOM 0 HB2 ARG A 105 56.347 -13.546 -13.349 1.00 24.32 H new ATOM 0 HB3 ARG A 105 57.103 -14.914 -12.557 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.520 -15.893 -14.884 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.986 -14.359 -15.543 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.779 -13.201 -14.223 1.00 62.13 H new ATOM 0 HD3 ARG A 105 59.334 -14.761 -13.647 1.00 62.13 H new ATOM 0 HE ARG A 105 59.181 -14.284 -16.588 1.00 23.52 H new ATOM 0 HH11 ARG A 105 61.118 -15.146 -13.757 1.00 4.40 H new ATOM 0 HH12 ARG A 105 62.603 -15.317 -14.699 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.082 -14.487 -17.762 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.583 -14.948 -16.952 1.00 43.11 H new ATOM 1685 N ASN A 106 55.385 -17.512 -12.352 1.00 14.40 N ATOM 1686 CA ASN A 106 55.741 -18.889 -12.218 1.00 75.13 C ATOM 1687 C ASN A 106 54.588 -19.794 -11.858 1.00 64.35 C ATOM 1688 O ASN A 106 54.780 -20.985 -11.574 1.00 43.10 O ATOM 1689 CB ASN A 106 56.916 -19.073 -11.291 1.00 32.11 C ATOM 1690 CG ASN A 106 58.187 -18.529 -11.895 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.808 -19.189 -12.717 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.585 -17.346 -11.502 1.00 61.11 N ATOM 0 H ASN A 106 55.028 -17.077 -11.501 1.00 14.40 H new ATOM 0 HA ASN A 106 56.048 -19.207 -13.214 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.717 -18.569 -10.345 1.00 32.11 H new ATOM 0 HB3 ASN A 106 57.042 -20.132 -11.068 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.441 -16.943 -11.883 1.00 61.11 H new ATOM 0 HD22 ASN A 106 58.039 -16.827 -10.814 1.00 61.11 H new ATOM 1699 N LEU A 107 53.405 -19.258 -11.867 1.00 34.24 N ATOM 1700 CA LEU A 107 52.236 -20.076 -11.664 1.00 22.31 C ATOM 1701 C LEU A 107 51.475 -20.153 -12.970 1.00 22.33 C ATOM 1702 O LEU A 107 51.642 -19.297 -13.841 1.00 3.21 O ATOM 1703 CB LEU A 107 51.354 -19.585 -10.486 1.00 10.31 C ATOM 1704 CG LEU A 107 50.574 -18.287 -10.673 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.209 -18.521 -11.299 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.475 -17.501 -9.386 1.00 33.10 C ATOM 0 H LEU A 107 53.219 -18.266 -12.011 1.00 34.24 H new ATOM 0 HA LEU A 107 52.549 -21.078 -11.370 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.640 -20.374 -10.251 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.996 -19.467 -9.613 1.00 10.31 H new ATOM 0 HG LEU A 107 51.141 -17.679 -11.378 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.692 -17.568 -11.412 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.332 -18.985 -12.278 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.622 -19.178 -10.657 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.912 -16.584 -9.562 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.965 -18.101 -8.632 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.476 -17.251 -9.035 1.00 33.10 H new ATOM 1718 N VAL A 108 50.675 -21.151 -13.125 1.00 63.11 N ATOM 1719 CA VAL A 108 49.981 -21.348 -14.366 1.00 1.01 C ATOM 1720 C VAL A 108 48.500 -21.033 -14.198 1.00 71.42 C ATOM 1721 O VAL A 108 47.837 -21.605 -13.339 1.00 31.43 O ATOM 1722 CB VAL A 108 50.132 -22.805 -14.880 1.00 35.03 C ATOM 1723 CG1 VAL A 108 49.719 -22.908 -16.327 1.00 45.42 C ATOM 1724 CG2 VAL A 108 51.544 -23.346 -14.666 1.00 72.10 C ATOM 0 H VAL A 108 50.480 -21.850 -12.409 1.00 63.11 H new ATOM 0 HA VAL A 108 50.426 -20.673 -15.097 1.00 1.01 H new ATOM 0 HB VAL A 108 49.462 -23.430 -14.289 1.00 35.03 H new ATOM 0 HG11 VAL A 108 49.833 -23.938 -16.666 1.00 45.42 H new ATOM 0 HG12 VAL A 108 48.677 -22.605 -16.430 1.00 45.42 H new ATOM 0 HG13 VAL A 108 50.348 -22.255 -16.932 1.00 45.42 H new ATOM 0 HG21 VAL A 108 51.603 -24.368 -15.041 1.00 72.10 H new ATOM 0 HG22 VAL A 108 52.258 -22.721 -15.202 1.00 72.10 H new ATOM 0 HG23 VAL A 108 51.780 -23.335 -13.602 1.00 72.10 H new ATOM 1794 N THR B 305 60.505 -12.051 12.510 1.00 33.52 N ATOM 1795 CA THR B 305 61.191 -12.955 11.639 1.00 3.31 C ATOM 1796 C THR B 305 60.655 -12.828 10.217 1.00 54.44 C ATOM 1797 O THR B 305 59.468 -12.445 10.015 1.00 34.54 O ATOM 1798 CB THR B 305 61.092 -14.437 12.133 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.866 -15.297 11.291 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.655 -14.936 12.147 1.00 31.13 C ATOM 0 HA THR B 305 62.246 -12.682 11.648 1.00 3.31 H new ATOM 0 HB THR B 305 61.480 -14.457 13.152 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.610 -14.791 10.903 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.632 -15.968 12.496 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.060 -14.313 12.815 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.242 -14.884 11.140 1.00 31.13 H new ATOM 1808 N PHE B 306 61.528 -13.124 9.247 1.00 23.43 N ATOM 1809 CA PHE B 306 61.196 -13.156 7.834 1.00 31.21 C ATOM 1810 C PHE B 306 59.909 -13.921 7.617 1.00 61.12 C ATOM 1811 O PHE B 306 58.998 -13.438 6.952 1.00 3.43 O ATOM 1812 CB PHE B 306 62.331 -13.835 7.043 1.00 53.41 C ATOM 1813 CG PHE B 306 61.978 -14.128 5.610 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.084 -13.160 4.654 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.518 -15.386 5.235 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.746 -13.421 3.357 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.181 -15.650 3.938 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.292 -14.660 2.997 1.00 41.22 C ATOM 0 H PHE B 306 62.504 -13.352 9.436 1.00 23.43 H new ATOM 0 HA PHE B 306 61.069 -12.132 7.483 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.212 -13.194 7.067 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.601 -14.767 7.539 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.439 -12.177 4.926 1.00 73.14 H new ATOM 0 HD2 PHE B 306 61.426 -16.164 5.979 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.838 -12.645 2.611 1.00 14.34 H new ATOM 0 HE2 PHE B 306 60.830 -16.632 3.656 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.021 -14.858 1.971 1.00 41.22 H new ATOM 1828 N GLU B 307 59.834 -15.082 8.246 1.00 22.24 N ATOM 1829 CA GLU B 307 58.714 -15.986 8.124 1.00 73.43 C ATOM 1830 C GLU B 307 57.373 -15.274 8.366 1.00 33.30 C ATOM 1831 O GLU B 307 56.419 -15.473 7.624 1.00 31.35 O ATOM 1832 CB GLU B 307 58.868 -17.120 9.123 1.00 34.14 C ATOM 1833 CG GLU B 307 57.808 -18.181 8.997 1.00 23.45 C ATOM 1834 CD GLU B 307 57.808 -19.128 10.148 1.00 64.23 C ATOM 1835 OE1 GLU B 307 58.568 -20.106 10.130 1.00 53.15 O ATOM 1836 OE2 GLU B 307 57.032 -18.911 11.100 1.00 13.13 O ATOM 0 H GLU B 307 60.567 -15.425 8.867 1.00 22.24 H new ATOM 0 HA GLU B 307 58.709 -16.374 7.105 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.848 -17.579 8.991 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.842 -16.710 10.133 1.00 34.14 H new ATOM 0 HG2 GLU B 307 56.830 -17.706 8.922 1.00 23.45 H new ATOM 0 HG3 GLU B 307 57.964 -18.738 8.073 1.00 23.45 H new ATOM 1843 N HIS B 308 57.335 -14.382 9.340 1.00 4.31 N ATOM 1844 CA HIS B 308 56.089 -13.751 9.722 1.00 63.23 C ATOM 1845 C HIS B 308 55.732 -12.657 8.756 1.00 43.42 C ATOM 1846 O HIS B 308 54.607 -12.578 8.286 1.00 4.03 O ATOM 1847 CB HIS B 308 56.175 -13.167 11.134 1.00 63.24 C ATOM 1848 CG HIS B 308 54.865 -12.609 11.648 1.00 24.31 C ATOM 1849 ND1 HIS B 308 53.879 -13.384 12.217 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.383 -11.343 11.645 1.00 2.42 C ATOM 1851 CE1 HIS B 308 52.853 -12.629 12.538 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.130 -11.380 12.202 1.00 65.13 N ATOM 0 H HIS B 308 58.149 -14.081 9.877 1.00 4.31 H new ATOM 0 HA HIS B 308 55.315 -14.519 9.704 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.521 -13.943 11.817 1.00 63.24 H new ATOM 0 HB3 HIS B 308 56.925 -12.376 11.144 1.00 63.24 H new ATOM 0 HD2 HIS B 308 54.892 -10.466 11.273 1.00 2.42 H new ATOM 0 HE1 HIS B 308 51.938 -12.970 12.999 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.514 -10.578 12.335 1.00 65.13 H new ATOM 1860 N LEU B 309 56.697 -11.839 8.454 1.00 64.14 N ATOM 1861 CA LEU B 309 56.482 -10.669 7.642 1.00 52.01 C ATOM 1862 C LEU B 309 56.226 -11.022 6.168 1.00 42.30 C ATOM 1863 O LEU B 309 55.576 -10.274 5.436 1.00 13.44 O ATOM 1864 CB LEU B 309 57.637 -9.671 7.874 1.00 30.00 C ATOM 1865 CG LEU B 309 59.078 -10.171 7.639 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.420 -10.250 6.172 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.079 -9.317 8.385 1.00 12.40 C ATOM 0 H LEU B 309 57.661 -11.962 8.764 1.00 64.14 H new ATOM 0 HA LEU B 309 55.563 -10.171 7.950 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.471 -8.810 7.226 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.570 -9.314 8.902 1.00 30.00 H new ATOM 0 HG LEU B 309 59.133 -11.185 8.036 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.443 -10.607 6.056 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.737 -10.939 5.676 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.327 -9.261 5.723 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.086 -9.692 8.201 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.007 -8.286 8.039 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.866 -9.357 9.453 1.00 12.40 H new ATOM 1879 N TRP B 310 56.705 -12.176 5.773 1.00 43.14 N ATOM 1880 CA TRP B 310 56.532 -12.695 4.449 1.00 14.01 C ATOM 1881 C TRP B 310 55.164 -13.359 4.331 1.00 31.23 C ATOM 1882 O TRP B 310 54.417 -13.087 3.404 1.00 14.12 O ATOM 1883 CB TRP B 310 57.688 -13.663 4.150 1.00 43.11 C ATOM 1884 CG TRP B 310 57.518 -14.540 2.962 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.187 -15.831 2.990 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.678 -14.202 1.587 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.120 -16.335 1.724 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.417 -15.365 0.842 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.006 -13.047 0.923 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.479 -15.404 -0.545 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.065 -13.071 -0.451 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.805 -14.244 -1.175 1.00 52.42 C ATOM 0 H TRP B 310 57.240 -12.793 6.384 1.00 43.14 H new ATOM 0 HA TRP B 310 56.559 -11.896 3.708 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.599 -13.079 4.017 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.840 -14.296 5.024 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.998 -16.399 3.889 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.882 -17.297 1.484 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.214 -12.138 1.468 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.278 -16.311 -1.096 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.317 -12.166 -0.984 1.00 70.43 H new ATOM 0 HH2 TRP B 310 57.865 -14.225 -2.253 1.00 52.42 H new ATOM 1903 N SER B 311 54.802 -14.159 5.334 1.00 14.42 N ATOM 1904 CA SER B 311 53.516 -14.859 5.339 1.00 14.14 C ATOM 1905 C SER B 311 52.337 -13.887 5.533 1.00 41.41 C ATOM 1906 O SER B 311 51.169 -14.259 5.405 1.00 31.14 O ATOM 1907 CB SER B 311 53.505 -15.930 6.433 1.00 42.43 C ATOM 1908 OG SER B 311 54.598 -16.832 6.273 1.00 14.24 O ATOM 0 H SER B 311 55.381 -14.339 6.154 1.00 14.42 H new ATOM 0 HA SER B 311 53.393 -15.335 4.366 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.560 -15.455 7.413 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.565 -16.481 6.398 1.00 42.43 H new ATOM 0 HG SER B 311 55.365 -16.512 6.793 1.00 14.24 H new ATOM 1914 N SER B 312 52.655 -12.649 5.813 1.00 1.11 N ATOM 1915 CA SER B 312 51.669 -11.660 6.102 1.00 11.44 C ATOM 1916 C SER B 312 51.667 -10.536 5.075 1.00 60.40 C ATOM 1917 O SER B 312 51.113 -9.476 5.334 1.00 41.34 O ATOM 1918 CB SER B 312 51.942 -11.104 7.493 1.00 21.31 C ATOM 1919 OG SER B 312 51.896 -12.149 8.458 1.00 22.34 O ATOM 0 H SER B 312 53.614 -12.304 5.845 1.00 1.11 H new ATOM 0 HA SER B 312 50.684 -12.125 6.061 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.919 -10.622 7.515 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.204 -10.340 7.738 1.00 21.31 H new ATOM 0 HG SER B 312 52.795 -12.518 8.584 1.00 22.34 H new ATOM 1925 N LEU B 313 52.236 -10.751 3.887 1.00 4.23 N ATOM 1926 CA LEU B 313 52.308 -9.633 2.933 1.00 14.51 C ATOM 1927 C LEU B 313 51.051 -9.517 2.070 1.00 52.23 C ATOM 1928 O LEU B 313 50.974 -8.696 1.139 1.00 52.02 O ATOM 1929 CB LEU B 313 53.631 -9.628 2.127 1.00 61.41 C ATOM 1930 CG LEU B 313 53.947 -10.816 1.210 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.165 -10.764 -0.095 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.428 -10.878 0.945 1.00 23.23 C ATOM 0 H LEU B 313 52.634 -11.635 3.570 1.00 4.23 H new ATOM 0 HA LEU B 313 52.331 -8.716 3.521 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.639 -8.727 1.513 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.450 -9.535 2.840 1.00 61.41 H new ATOM 0 HG LEU B 313 53.635 -11.724 1.725 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.424 -11.627 -0.709 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.097 -10.779 0.120 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.414 -9.849 -0.632 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.646 -11.724 0.293 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.750 -9.955 0.462 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.962 -11.000 1.888 1.00 23.23 H new ATOM 1944 N GLU B 314 50.069 -10.323 2.402 1.00 50.02 N ATOM 1945 CA GLU B 314 48.778 -10.287 1.756 1.00 22.11 C ATOM 1946 C GLU B 314 47.988 -9.065 2.190 1.00 24.03 C ATOM 1947 O GLU B 314 48.123 -8.584 3.330 1.00 52.11 O ATOM 1948 CB GLU B 314 47.983 -11.540 2.071 1.00 41.12 C ATOM 1949 CG GLU B 314 48.297 -12.712 1.185 1.00 31.33 C ATOM 1950 CD GLU B 314 47.416 -12.765 -0.040 1.00 73.45 C ATOM 1951 OE1 GLU B 314 47.695 -12.085 -1.028 1.00 13.23 O ATOM 1952 OE2 GLU B 314 46.390 -13.491 -0.001 1.00 40.53 O ATOM 0 H GLU B 314 50.145 -11.028 3.135 1.00 50.02 H new ATOM 0 HA GLU B 314 48.950 -10.234 0.681 1.00 22.11 H new ATOM 0 HB2 GLU B 314 48.169 -11.823 3.107 1.00 41.12 H new ATOM 0 HB3 GLU B 314 46.920 -11.312 1.989 1.00 41.12 H new ATOM 0 HG2 GLU B 314 49.341 -12.660 0.876 1.00 31.33 H new ATOM 0 HG3 GLU B 314 48.179 -13.635 1.753 1.00 31.33 H new ATOM 1959 N PRO B 315 47.170 -8.550 1.287 1.00 10.45 N ATOM 1960 CA PRO B 315 46.319 -7.392 1.544 1.00 54.32 C ATOM 1961 C PRO B 315 45.180 -7.722 2.484 1.00 3.22 C ATOM 1962 O PRO B 315 44.787 -6.910 3.339 1.00 2.51 O ATOM 1963 CB PRO B 315 45.758 -7.056 0.159 1.00 25.23 C ATOM 1964 CG PRO B 315 45.857 -8.314 -0.631 1.00 44.42 C ATOM 1965 CD PRO B 315 47.029 -9.054 -0.091 1.00 62.12 C ATOM 0 HA PRO B 315 46.870 -6.578 2.016 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.724 -6.716 0.227 1.00 25.23 H new ATOM 0 HB3 PRO B 315 46.327 -6.253 -0.310 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.946 -8.905 -0.536 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.988 -8.098 -1.691 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.862 -10.131 -0.106 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.927 -8.863 -0.679 1.00 62.12 H new ATOM 1973 N ASP B 316 44.693 -8.904 2.339 1.00 41.21 N ATOM 1974 CA ASP B 316 43.535 -9.375 3.025 1.00 41.22 C ATOM 1975 C ASP B 316 43.626 -10.858 3.123 1.00 10.30 C ATOM 1976 O ASP B 316 43.783 -11.376 4.231 1.00 0.00 O ATOM 1977 CB ASP B 316 42.280 -8.948 2.262 1.00 11.05 C ATOM 1978 CG ASP B 316 41.020 -9.696 2.678 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.423 -9.364 3.733 1.00 1.52 O ATOM 1980 OD2 ASP B 316 40.580 -10.604 1.944 1.00 52.21 O ATOM 1981 OXT ASP B 316 43.670 -11.518 2.074 1.00 0.00 O ATOM 0 H ASP B 316 45.104 -9.599 1.716 1.00 41.21 H new ATOM 0 HA ASP B 316 43.477 -8.951 4.028 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.122 -7.880 2.411 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.446 -9.100 1.195 1.00 11.05 H new