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: B 308 HIS : no HD1:sc= 0 X(o=2.5,f=2.5) USER MOD Set 1.2: B 311 SER OG : rot -100:sc= 1.3 USER MOD Set 1.3: B 312 SER OG : rot 90:sc= 1.25 USER MOD Set 2.1: A 72 GLN : amide:sc= 1.04 K(o=1.9,f=-0.38) USER MOD Set 2.2: B 305 THR OG1 : rot -83:sc= 0.888 USER MOD Set 3.1: A 96 HIS : no HD1:sc= 1.1 K(o=2.4,f=-7.2!) USER MOD Set 3.2: A 100 TYR OH : rot 85:sc= 1.28 USER MOD Set 4.1: A 71 GLN : amide:sc= 0.465 K(o=0.42,f=-0.12) USER MOD Set 4.2: A 73 HIS : no HD1:sc= -0.0435 X(o=0.42,f=0.46) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -2.19 (180deg=-2.57!) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc=-0.00805 (180deg=-0.147) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.483 (180deg=0.43) USER MOD Single : A 40 SER OG : rot 84:sc= 1.22 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 134:sc= 1.2 (180deg=-0.611!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 68:sc= 1.07 USER MOD Single : A 49 THR OG1 : rot -77:sc= 0.893 USER MOD Single : A 50 MET CE :methyl 135:sc= -0.328 (180deg=-2.03) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.81 (180deg=1.13) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.0479 X(o=0.048,f=-0.39) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -177:sc= -0.425 (180deg=-0.46) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 1.35 (180deg=1.01) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -97:sc= -6.67! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0.565 (180deg=0.278) USER MOD Single : A 101 THR OG1 : rot -74:sc= 0.259 USER MOD Single : A 102 MET CE :methyl -161:sc= -2.31 (180deg=-3.13) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.21! C(o=-2.2!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.561 -19.814 -6.751 1.00 5.11 N ATOM 334 CA LEU A 27 44.391 -20.996 -6.641 1.00 60.50 C ATOM 335 C LEU A 27 45.389 -20.999 -7.750 1.00 75.55 C ATOM 336 O LEU A 27 45.057 -20.699 -8.907 1.00 13.21 O ATOM 337 CB LEU A 27 43.586 -22.303 -6.690 1.00 70.13 C ATOM 338 CG LEU A 27 42.693 -22.620 -5.499 1.00 24.53 C ATOM 339 CD1 LEU A 27 41.989 -23.943 -5.722 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.507 -22.695 -4.226 1.00 40.21 C ATOM 0 HA LEU A 27 44.881 -20.954 -5.668 1.00 60.50 H new ATOM 0 HB2 LEU A 27 42.961 -22.281 -7.583 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.289 -23.127 -6.813 1.00 70.13 H new ATOM 0 HG LEU A 27 41.956 -21.823 -5.401 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.351 -24.165 -4.866 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.379 -23.883 -6.623 1.00 0.21 H new ATOM 0 HD13 LEU A 27 42.730 -24.734 -5.837 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.850 -22.923 -3.387 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.259 -23.478 -4.321 1.00 40.21 H new ATOM 0 HD23 LEU A 27 43.999 -21.738 -4.052 1.00 40.21 H new ATOM 352 N VAL A 28 46.583 -21.334 -7.431 1.00 40.25 N ATOM 353 CA VAL A 28 47.624 -21.353 -8.395 1.00 11.42 C ATOM 354 C VAL A 28 47.836 -22.774 -8.881 1.00 51.22 C ATOM 355 O VAL A 28 47.782 -23.733 -8.103 1.00 23.41 O ATOM 356 CB VAL A 28 48.944 -20.768 -7.805 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.710 -19.361 -7.277 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.505 -21.647 -6.702 1.00 61.10 C ATOM 0 H VAL A 28 46.870 -21.604 -6.490 1.00 40.25 H new ATOM 0 HA VAL A 28 47.335 -20.726 -9.238 1.00 11.42 H new ATOM 0 HB VAL A 28 49.676 -20.734 -8.612 1.00 72.31 H new ATOM 0 HG11 VAL A 28 49.640 -18.966 -6.869 1.00 1.12 H new ATOM 0 HG12 VAL A 28 48.369 -18.719 -8.090 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.952 -19.388 -6.494 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.424 -21.205 -6.317 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.776 -21.729 -5.896 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.718 -22.639 -7.100 1.00 61.10 H new ATOM 368 N ARG A 29 48.025 -22.890 -10.154 1.00 35.24 N ATOM 369 CA ARG A 29 48.201 -24.166 -10.816 1.00 74.24 C ATOM 370 C ARG A 29 49.686 -24.495 -10.963 1.00 40.32 C ATOM 371 O ARG A 29 50.501 -23.576 -10.891 1.00 20.51 O ATOM 372 CB ARG A 29 47.484 -24.180 -12.181 1.00 11.01 C ATOM 373 CG ARG A 29 45.968 -24.164 -12.071 1.00 63.52 C ATOM 374 CD ARG A 29 45.298 -24.403 -13.415 1.00 40.33 C ATOM 375 NE ARG A 29 45.483 -23.307 -14.373 1.00 65.21 N ATOM 376 CZ ARG A 29 45.244 -23.394 -15.694 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.903 -24.557 -16.241 1.00 52.24 N ATOM 378 NH2 ARG A 29 45.361 -22.313 -16.450 1.00 32.15 N ATOM 0 H ARG A 29 48.064 -22.091 -10.787 1.00 35.24 H new ATOM 0 HA ARG A 29 47.747 -24.940 -10.198 1.00 74.24 H new ATOM 0 HB2 ARG A 29 47.807 -23.315 -12.761 1.00 11.01 H new ATOM 0 HB3 ARG A 29 47.791 -25.068 -12.734 1.00 11.01 H new ATOM 0 HG2 ARG A 29 45.647 -24.930 -11.365 1.00 63.52 H new ATOM 0 HG3 ARG A 29 45.644 -23.204 -11.669 1.00 63.52 H new ATOM 0 HD2 ARG A 29 45.692 -25.322 -13.848 1.00 40.33 H new ATOM 0 HD3 ARG A 29 44.231 -24.558 -13.256 1.00 40.33 H new ATOM 0 HE ARG A 29 45.817 -22.414 -14.011 1.00 65.21 H new ATOM 0 HH11 ARG A 29 44.821 -25.390 -15.658 1.00 52.24 H new ATOM 0 HH12 ARG A 29 44.723 -24.616 -17.243 1.00 52.24 H new ATOM 0 HH21 ARG A 29 45.630 -21.424 -16.030 1.00 32.15 H new ATOM 0 HH22 ARG A 29 45.182 -22.370 -17.453 1.00 32.15 H new ATOM 392 N PRO A 30 50.032 -25.824 -11.109 1.00 1.41 N ATOM 393 CA PRO A 30 51.386 -26.372 -11.277 1.00 43.14 C ATOM 394 C PRO A 30 52.489 -25.376 -11.674 1.00 24.23 C ATOM 395 O PRO A 30 52.503 -24.797 -12.772 1.00 23.12 O ATOM 396 CB PRO A 30 51.156 -27.421 -12.358 1.00 54.02 C ATOM 397 CG PRO A 30 49.739 -27.903 -12.124 1.00 53.23 C ATOM 398 CD PRO A 30 49.096 -26.953 -11.123 1.00 55.33 C ATOM 0 HA PRO A 30 51.780 -26.740 -10.330 1.00 43.14 H new ATOM 0 HB2 PRO A 30 51.271 -26.995 -13.355 1.00 54.02 H new ATOM 0 HB3 PRO A 30 51.872 -28.239 -12.276 1.00 54.02 H new ATOM 0 HG2 PRO A 30 49.178 -27.914 -13.058 1.00 53.23 H new ATOM 0 HG3 PRO A 30 49.739 -28.923 -11.740 1.00 53.23 H new ATOM 0 HD2 PRO A 30 48.098 -26.648 -11.437 1.00 55.33 H new ATOM 0 HD3 PRO A 30 48.995 -27.409 -10.138 1.00 55.33 H new ATOM 406 N LYS A 31 53.394 -25.200 -10.761 1.00 71.41 N ATOM 407 CA LYS A 31 54.501 -24.296 -10.886 1.00 13.12 C ATOM 408 C LYS A 31 55.770 -25.030 -10.458 1.00 60.43 C ATOM 409 O LYS A 31 56.066 -25.107 -9.278 1.00 12.54 O ATOM 410 CB LYS A 31 54.237 -23.041 -10.030 1.00 45.42 C ATOM 411 CG LYS A 31 53.743 -23.341 -8.626 1.00 33.03 C ATOM 412 CD LYS A 31 53.472 -22.085 -7.851 1.00 44.22 C ATOM 413 CE LYS A 31 53.029 -22.424 -6.451 1.00 72.11 C ATOM 414 NZ LYS A 31 52.795 -21.213 -5.639 1.00 53.45 N ATOM 0 H LYS A 31 53.383 -25.701 -9.873 1.00 71.41 H new ATOM 0 HA LYS A 31 54.626 -23.964 -11.917 1.00 13.12 H new ATOM 0 HB2 LYS A 31 55.157 -22.460 -9.964 1.00 45.42 H new ATOM 0 HB3 LYS A 31 53.501 -22.417 -10.537 1.00 45.42 H new ATOM 0 HG2 LYS A 31 52.833 -23.938 -8.681 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.486 -23.940 -8.099 1.00 33.03 H new ATOM 0 HD2 LYS A 31 54.370 -21.469 -7.817 1.00 44.22 H new ATOM 0 HD3 LYS A 31 52.702 -21.498 -8.352 1.00 44.22 H new ATOM 0 HE2 LYS A 31 52.114 -23.015 -6.493 1.00 72.11 H new ATOM 0 HE3 LYS A 31 53.787 -23.043 -5.970 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 52.229 -21.460 -4.802 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 53.707 -20.817 -5.335 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 52.283 -20.508 -6.207 1.00 53.45 H new ATOM 428 N PRO A 32 56.548 -25.537 -11.419 1.00 4.31 N ATOM 429 CA PRO A 32 57.641 -26.506 -11.171 1.00 5.12 C ATOM 430 C PRO A 32 58.652 -26.084 -10.110 1.00 74.20 C ATOM 431 O PRO A 32 58.864 -26.801 -9.121 1.00 50.13 O ATOM 432 CB PRO A 32 58.319 -26.636 -12.533 1.00 54.05 C ATOM 433 CG PRO A 32 57.893 -25.432 -13.280 1.00 52.24 C ATOM 434 CD PRO A 32 56.488 -25.174 -12.841 1.00 71.25 C ATOM 0 HA PRO A 32 57.235 -27.435 -10.771 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.404 -26.677 -12.433 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.011 -27.549 -13.043 1.00 54.05 H new ATOM 0 HG2 PRO A 32 58.538 -24.582 -13.057 1.00 52.24 H new ATOM 0 HG3 PRO A 32 57.945 -25.598 -14.356 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.199 -24.133 -12.986 1.00 71.25 H new ATOM 0 HD3 PRO A 32 55.770 -25.784 -13.389 1.00 71.25 H new ATOM 442 N LEU A 33 59.237 -24.914 -10.294 1.00 43.22 N ATOM 443 CA LEU A 33 60.280 -24.420 -9.418 1.00 61.34 C ATOM 444 C LEU A 33 59.774 -24.200 -8.002 1.00 33.42 C ATOM 445 O LEU A 33 60.403 -24.610 -7.020 1.00 21.42 O ATOM 446 CB LEU A 33 60.870 -23.140 -9.988 1.00 61.22 C ATOM 447 CG LEU A 33 61.504 -23.279 -11.371 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.957 -21.933 -11.877 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.675 -24.256 -11.329 1.00 21.44 C ATOM 0 H LEU A 33 59.001 -24.280 -11.057 1.00 43.22 H new ATOM 0 HA LEU A 33 61.061 -25.178 -9.362 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.083 -22.387 -10.040 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.624 -22.766 -9.296 1.00 61.22 H new ATOM 0 HG LEU A 33 60.754 -23.673 -12.057 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.407 -22.048 -12.863 1.00 51.51 H new ATOM 0 HD12 LEU A 33 61.100 -21.263 -11.944 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.692 -21.514 -11.190 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.113 -24.342 -12.323 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.428 -23.891 -10.631 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.321 -25.234 -11.003 1.00 21.44 H new ATOM 461 N LEU A 34 58.627 -23.594 -7.890 1.00 3.45 N ATOM 462 CA LEU A 34 58.074 -23.352 -6.593 1.00 64.14 C ATOM 463 C LEU A 34 57.579 -24.637 -5.973 1.00 22.24 C ATOM 464 O LEU A 34 57.777 -24.857 -4.811 1.00 75.12 O ATOM 465 CB LEU A 34 56.982 -22.260 -6.593 1.00 35.35 C ATOM 466 CG LEU A 34 57.459 -20.791 -6.706 1.00 62.21 C ATOM 467 CD1 LEU A 34 58.144 -20.505 -8.030 1.00 72.03 C ATOM 468 CD2 LEU A 34 56.304 -19.829 -6.491 1.00 52.54 C ATOM 0 H LEU A 34 58.063 -23.262 -8.673 1.00 3.45 H new ATOM 0 HA LEU A 34 58.882 -22.962 -5.975 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.302 -22.460 -7.421 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.403 -22.359 -5.675 1.00 35.35 H new ATOM 0 HG LEU A 34 58.198 -20.639 -5.919 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.459 -19.462 -8.059 1.00 72.03 H new ATOM 0 HD12 LEU A 34 59.016 -21.151 -8.136 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.449 -20.697 -8.848 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.664 -18.804 -6.575 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.537 -20.007 -7.245 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.881 -19.985 -5.499 1.00 52.54 H new ATOM 480 N LEU A 35 56.998 -25.507 -6.776 1.00 65.12 N ATOM 481 CA LEU A 35 56.456 -26.764 -6.288 1.00 5.32 C ATOM 482 C LEU A 35 57.576 -27.639 -5.733 1.00 54.41 C ATOM 483 O LEU A 35 57.395 -28.291 -4.723 1.00 53.44 O ATOM 484 CB LEU A 35 55.654 -27.473 -7.409 1.00 2.42 C ATOM 485 CG LEU A 35 54.690 -28.617 -7.012 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.734 -28.878 -8.153 1.00 24.24 C ATOM 487 CD2 LEU A 35 55.433 -29.906 -6.682 1.00 71.40 C ATOM 0 H LEU A 35 56.888 -25.365 -7.780 1.00 65.12 H new ATOM 0 HA LEU A 35 55.762 -26.569 -5.470 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.072 -26.714 -7.932 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.370 -27.875 -8.126 1.00 2.42 H new ATOM 0 HG LEU A 35 54.152 -28.303 -6.117 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.052 -29.683 -7.879 1.00 24.24 H new ATOM 0 HD12 LEU A 35 53.162 -27.974 -8.363 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.297 -29.165 -9.041 1.00 24.24 H new ATOM 0 HD21 LEU A 35 54.716 -30.680 -6.409 1.00 71.40 H new ATOM 0 HD22 LEU A 35 56.003 -30.230 -7.553 1.00 71.40 H new ATOM 0 HD23 LEU A 35 56.112 -29.731 -5.848 1.00 71.40 H new ATOM 499 N LYS A 36 58.758 -27.596 -6.354 1.00 42.34 N ATOM 500 CA LYS A 36 59.872 -28.405 -5.873 1.00 34.14 C ATOM 501 C LYS A 36 60.321 -27.909 -4.487 1.00 62.12 C ATOM 502 O LYS A 36 60.666 -28.714 -3.611 1.00 31.42 O ATOM 503 CB LYS A 36 61.055 -28.447 -6.879 1.00 22.41 C ATOM 504 CG LYS A 36 61.921 -27.197 -6.924 1.00 43.13 C ATOM 505 CD LYS A 36 62.948 -27.253 -8.038 1.00 75.31 C ATOM 506 CE LYS A 36 63.910 -26.074 -7.970 1.00 21.21 C ATOM 507 NZ LYS A 36 64.805 -26.139 -6.785 1.00 23.02 N ATOM 0 H LYS A 36 58.963 -27.022 -7.172 1.00 42.34 H new ATOM 0 HA LYS A 36 59.522 -29.433 -5.780 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.689 -29.298 -6.632 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.655 -28.627 -7.877 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.286 -26.322 -7.061 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.430 -27.075 -5.968 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.508 -28.186 -7.971 1.00 75.31 H new ATOM 0 HD3 LYS A 36 62.440 -27.255 -9.003 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.514 -26.049 -8.877 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.340 -25.145 -7.941 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.577 -25.451 -6.895 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.262 -25.916 -5.927 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.204 -27.096 -6.703 1.00 23.02 H new ATOM 521 N LEU A 37 60.263 -26.585 -4.261 1.00 21.34 N ATOM 522 CA LEU A 37 60.629 -26.063 -2.953 1.00 4.13 C ATOM 523 C LEU A 37 59.503 -26.336 -1.952 1.00 55.22 C ATOM 524 O LEU A 37 59.756 -26.698 -0.808 1.00 44.31 O ATOM 525 CB LEU A 37 61.050 -24.552 -3.005 1.00 20.40 C ATOM 526 CG LEU A 37 59.978 -23.462 -3.285 1.00 70.33 C ATOM 527 CD1 LEU A 37 59.135 -23.135 -2.039 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.631 -22.204 -3.835 1.00 24.22 C ATOM 0 H LEU A 37 59.976 -25.886 -4.946 1.00 21.34 H new ATOM 0 HA LEU A 37 61.519 -26.590 -2.608 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.517 -24.311 -2.050 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.820 -24.455 -3.770 1.00 20.40 H new ATOM 0 HG LEU A 37 59.296 -23.866 -4.034 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.401 -22.368 -2.287 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.620 -24.035 -1.702 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.786 -22.770 -1.245 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.867 -21.451 -4.026 1.00 24.22 H new ATOM 0 HD22 LEU A 37 61.347 -21.819 -3.109 1.00 24.22 H new ATOM 0 HD23 LEU A 37 61.148 -22.439 -4.765 1.00 24.22 H new ATOM 540 N LEU A 38 58.261 -26.213 -2.426 1.00 2.01 N ATOM 541 CA LEU A 38 57.073 -26.425 -1.606 1.00 62.52 C ATOM 542 C LEU A 38 56.992 -27.875 -1.164 1.00 61.11 C ATOM 543 O LEU A 38 56.660 -28.173 -0.021 1.00 21.21 O ATOM 544 CB LEU A 38 55.783 -26.056 -2.377 1.00 42.14 C ATOM 545 CG LEU A 38 55.645 -24.609 -2.889 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.384 -24.449 -3.695 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.648 -23.612 -1.764 1.00 34.23 C ATOM 0 H LEU A 38 58.054 -25.963 -3.393 1.00 2.01 H new ATOM 0 HA LEU A 38 57.155 -25.777 -0.734 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.701 -26.724 -3.234 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.933 -26.265 -1.728 1.00 42.14 H new ATOM 0 HG LEU A 38 56.511 -24.412 -3.521 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.305 -23.420 -4.047 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.411 -25.124 -4.550 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.522 -24.686 -3.072 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.549 -22.605 -2.170 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.813 -23.817 -1.094 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.584 -23.690 -1.211 1.00 34.23 H new ATOM 559 N LYS A 39 57.340 -28.778 -2.057 1.00 4.41 N ATOM 560 CA LYS A 39 57.264 -30.191 -1.782 1.00 72.50 C ATOM 561 C LYS A 39 58.300 -30.541 -0.738 1.00 71.11 C ATOM 562 O LYS A 39 58.045 -31.330 0.175 1.00 23.23 O ATOM 563 CB LYS A 39 57.500 -31.003 -3.059 1.00 34.33 C ATOM 564 CG LYS A 39 56.985 -32.426 -2.985 1.00 51.34 C ATOM 565 CD LYS A 39 55.470 -32.422 -2.877 1.00 50.31 C ATOM 566 CE LYS A 39 54.900 -33.808 -2.746 1.00 14.03 C ATOM 567 NZ LYS A 39 53.436 -33.756 -2.647 1.00 31.25 N ATOM 0 H LYS A 39 57.682 -28.550 -2.991 1.00 4.41 H new ATOM 0 HA LYS A 39 56.269 -30.435 -1.409 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.018 -30.496 -3.895 1.00 34.33 H new ATOM 0 HB3 LYS A 39 58.569 -31.024 -3.272 1.00 34.33 H new ATOM 0 HG2 LYS A 39 57.294 -32.980 -3.871 1.00 51.34 H new ATOM 0 HG3 LYS A 39 57.418 -32.935 -2.124 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.172 -31.827 -2.014 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.047 -31.940 -3.758 1.00 50.31 H new ATOM 0 HE2 LYS A 39 55.191 -34.410 -3.607 1.00 14.03 H new ATOM 0 HE3 LYS A 39 55.313 -34.295 -1.863 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 53.071 -34.699 -2.405 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.162 -33.078 -1.907 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.037 -33.453 -3.558 1.00 31.25 H new ATOM 581 N SER A 40 59.430 -29.873 -0.829 1.00 51.14 N ATOM 582 CA SER A 40 60.518 -30.065 0.089 1.00 42.10 C ATOM 583 C SER A 40 60.170 -29.577 1.503 1.00 14.45 C ATOM 584 O SER A 40 60.823 -29.949 2.475 1.00 42.43 O ATOM 585 CB SER A 40 61.761 -29.359 -0.427 1.00 12.23 C ATOM 586 OG SER A 40 62.181 -29.917 -1.672 1.00 61.15 O ATOM 0 H SER A 40 59.615 -29.176 -1.551 1.00 51.14 H new ATOM 0 HA SER A 40 60.712 -31.135 0.157 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.556 -28.296 -0.551 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.564 -29.446 0.305 1.00 12.23 H new ATOM 0 HG SER A 40 61.674 -29.505 -2.403 1.00 61.15 H new ATOM 592 N VAL A 41 59.152 -28.748 1.609 1.00 11.22 N ATOM 593 CA VAL A 41 58.741 -28.240 2.894 1.00 71.41 C ATOM 594 C VAL A 41 57.397 -28.799 3.334 1.00 64.32 C ATOM 595 O VAL A 41 56.805 -28.326 4.304 1.00 51.12 O ATOM 596 CB VAL A 41 58.799 -26.696 2.984 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.245 -26.230 2.891 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.992 -26.062 1.878 1.00 74.11 C ATOM 0 H VAL A 41 58.597 -28.414 0.821 1.00 11.22 H new ATOM 0 HA VAL A 41 59.479 -28.605 3.609 1.00 71.41 H new ATOM 0 HB VAL A 41 58.375 -26.391 3.941 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.282 -25.142 2.955 1.00 44.32 H new ATOM 0 HG12 VAL A 41 60.820 -26.661 3.711 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.671 -26.552 1.941 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.048 -24.977 1.963 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.392 -26.372 0.912 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.952 -26.379 1.959 1.00 74.11 H new ATOM 608 N GLY A 42 56.943 -29.822 2.628 1.00 13.41 N ATOM 609 CA GLY A 42 55.774 -30.550 3.059 1.00 34.34 C ATOM 610 C GLY A 42 54.482 -30.182 2.372 1.00 74.23 C ATOM 611 O GLY A 42 53.415 -30.318 2.972 1.00 22.34 O ATOM 0 H GLY A 42 57.365 -30.160 1.763 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.955 -31.614 2.906 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.650 -30.399 4.131 1.00 34.34 H new ATOM 615 N ALA A 43 54.541 -29.729 1.140 1.00 52.43 N ATOM 616 CA ALA A 43 53.308 -29.429 0.398 1.00 31.35 C ATOM 617 C ALA A 43 52.621 -30.722 -0.033 1.00 13.11 C ATOM 618 O ALA A 43 53.287 -31.698 -0.439 1.00 2.23 O ATOM 619 CB ALA A 43 53.590 -28.565 -0.805 1.00 2.41 C ATOM 0 H ALA A 43 55.406 -29.558 0.627 1.00 52.43 H new ATOM 0 HA ALA A 43 52.643 -28.877 1.062 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.658 -28.361 -1.333 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.037 -27.625 -0.481 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.279 -29.084 -1.472 1.00 2.41 H new ATOM 625 N GLN A 44 51.310 -30.747 0.075 1.00 11.11 N ATOM 626 CA GLN A 44 50.540 -31.942 -0.249 1.00 14.10 C ATOM 627 C GLN A 44 49.525 -31.696 -1.355 1.00 41.31 C ATOM 628 O GLN A 44 49.065 -32.632 -2.009 1.00 14.35 O ATOM 629 CB GLN A 44 49.832 -32.461 0.994 1.00 34.11 C ATOM 630 CG GLN A 44 50.776 -32.845 2.110 1.00 12.52 C ATOM 631 CD GLN A 44 50.065 -33.460 3.291 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.875 -34.679 3.353 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.675 -32.646 4.233 1.00 5.12 N ATOM 0 H GLN A 44 50.748 -29.954 0.385 1.00 11.11 H new ATOM 0 HA GLN A 44 51.245 -32.689 -0.613 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.145 -31.696 1.357 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.230 -33.328 0.724 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.515 -33.550 1.729 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.321 -31.960 2.440 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.850 -31.645 4.147 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.195 -33.011 5.056 1.00 5.12 H new ATOM 642 N LYS A 45 49.184 -30.459 -1.562 1.00 34.22 N ATOM 643 CA LYS A 45 48.206 -30.087 -2.550 1.00 1.22 C ATOM 644 C LYS A 45 48.904 -29.761 -3.856 1.00 34.45 C ATOM 645 O LYS A 45 50.115 -29.544 -3.872 1.00 73.42 O ATOM 646 CB LYS A 45 47.443 -28.869 -2.045 1.00 41.14 C ATOM 647 CG LYS A 45 46.665 -29.120 -0.759 1.00 41.43 C ATOM 648 CD LYS A 45 46.188 -27.823 -0.114 1.00 52.41 C ATOM 649 CE LYS A 45 45.284 -27.008 -1.021 1.00 2.42 C ATOM 650 NZ LYS A 45 44.864 -25.754 -0.374 1.00 21.35 N ATOM 0 H LYS A 45 49.578 -29.671 -1.048 1.00 34.22 H new ATOM 0 HA LYS A 45 47.511 -30.909 -2.720 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.147 -28.054 -1.879 1.00 41.14 H new ATOM 0 HB3 LYS A 45 46.750 -28.539 -2.819 1.00 41.14 H new ATOM 0 HG2 LYS A 45 45.805 -29.755 -0.974 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.295 -29.664 -0.055 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.654 -28.057 0.807 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.054 -27.221 0.163 1.00 52.41 H new ATOM 0 HE2 LYS A 45 45.807 -26.782 -1.951 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.405 -27.596 -1.284 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.970 -24.965 -1.044 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 43.868 -25.830 -0.083 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.457 -25.579 0.462 1.00 21.35 H new ATOM 664 N ASP A 46 48.166 -29.769 -4.934 1.00 71.23 N ATOM 665 CA ASP A 46 48.694 -29.385 -6.244 1.00 33.11 C ATOM 666 C ASP A 46 48.332 -27.949 -6.537 1.00 43.41 C ATOM 667 O ASP A 46 48.894 -27.316 -7.424 1.00 45.42 O ATOM 668 CB ASP A 46 48.175 -30.294 -7.374 1.00 22.43 C ATOM 669 CG ASP A 46 48.814 -31.667 -7.395 1.00 54.13 C ATOM 670 OD1 ASP A 46 49.874 -31.839 -8.043 1.00 45.24 O ATOM 671 OD2 ASP A 46 48.275 -32.613 -6.788 1.00 72.22 O ATOM 0 H ASP A 46 47.182 -30.039 -4.944 1.00 71.23 H new ATOM 0 HA ASP A 46 49.777 -29.499 -6.206 1.00 33.11 H new ATOM 0 HB2 ASP A 46 47.096 -30.407 -7.270 1.00 22.43 H new ATOM 0 HB3 ASP A 46 48.354 -29.805 -8.332 1.00 22.43 H new ATOM 676 N THR A 47 47.395 -27.436 -5.776 1.00 73.34 N ATOM 677 CA THR A 47 46.971 -26.079 -5.903 1.00 64.41 C ATOM 678 C THR A 47 47.112 -25.409 -4.582 1.00 71.43 C ATOM 679 O THR A 47 47.006 -26.062 -3.541 1.00 40.44 O ATOM 680 CB THR A 47 45.529 -25.964 -6.376 1.00 20.33 C ATOM 681 OG1 THR A 47 44.730 -26.995 -5.759 1.00 44.41 O ATOM 682 CG2 THR A 47 45.414 -26.036 -7.889 1.00 54.35 C ATOM 0 H THR A 47 46.907 -27.959 -5.049 1.00 73.34 H new ATOM 0 HA THR A 47 47.598 -25.600 -6.655 1.00 64.41 H new ATOM 0 HB THR A 47 45.157 -24.985 -6.075 1.00 20.33 H new ATOM 0 HG1 THR A 47 43.802 -26.917 -6.065 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.367 -25.950 -8.179 1.00 54.35 H new ATOM 0 HG22 THR A 47 45.983 -25.221 -8.336 1.00 54.35 H new ATOM 0 HG23 THR A 47 45.810 -26.989 -8.239 1.00 54.35 H new ATOM 690 N TYR A 48 47.367 -24.138 -4.594 1.00 21.32 N ATOM 691 CA TYR A 48 47.606 -23.437 -3.364 1.00 72.11 C ATOM 692 C TYR A 48 47.023 -22.059 -3.466 1.00 63.32 C ATOM 693 O TYR A 48 46.907 -21.524 -4.579 1.00 44.22 O ATOM 694 CB TYR A 48 49.113 -23.261 -3.141 1.00 30.34 C ATOM 695 CG TYR A 48 49.962 -24.498 -3.333 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.114 -25.441 -2.328 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.604 -24.718 -4.545 1.00 63.43 C ATOM 698 CE1 TYR A 48 50.890 -26.564 -2.529 1.00 2.02 C ATOM 699 CE2 TYR A 48 51.374 -25.831 -4.753 1.00 12.51 C ATOM 700 CZ TYR A 48 51.518 -26.750 -3.748 1.00 2.34 C ATOM 701 OH TYR A 48 52.285 -27.863 -3.964 1.00 72.12 O ATOM 0 H TYR A 48 47.416 -23.564 -5.436 1.00 21.32 H new ATOM 0 HA TYR A 48 47.159 -24.007 -2.549 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.473 -22.489 -3.821 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.269 -22.891 -2.128 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.620 -25.295 -1.379 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.493 -23.996 -5.340 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.006 -27.293 -1.740 1.00 2.02 H new ATOM 0 HE2 TYR A 48 51.864 -25.983 -5.703 1.00 12.51 H new ATOM 0 HH TYR A 48 51.710 -28.656 -3.992 1.00 72.12 H new ATOM 711 N THR A 49 46.659 -21.497 -2.345 1.00 4.35 N ATOM 712 CA THR A 49 46.275 -20.120 -2.280 1.00 1.34 C ATOM 713 C THR A 49 47.532 -19.289 -2.036 1.00 15.00 C ATOM 714 O THR A 49 48.638 -19.855 -1.918 1.00 52.25 O ATOM 715 CB THR A 49 45.229 -19.880 -1.172 1.00 51.02 C ATOM 716 OG1 THR A 49 45.639 -20.518 0.055 1.00 64.22 O ATOM 717 CG2 THR A 49 43.863 -20.395 -1.589 1.00 61.52 C ATOM 0 H THR A 49 46.622 -21.986 -1.451 1.00 4.35 H new ATOM 0 HA THR A 49 45.808 -19.824 -3.220 1.00 1.34 H new ATOM 0 HB THR A 49 45.157 -18.805 -1.009 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.466 -21.481 -0.003 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.146 -20.213 -0.789 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.539 -19.877 -2.492 1.00 61.52 H new ATOM 0 HG23 THR A 49 43.922 -21.465 -1.786 1.00 61.52 H new ATOM 725 N MET A 50 47.396 -17.988 -1.919 1.00 21.14 N ATOM 726 CA MET A 50 48.552 -17.130 -1.784 1.00 1.43 C ATOM 727 C MET A 50 49.131 -17.259 -0.401 1.00 72.53 C ATOM 728 O MET A 50 50.356 -17.286 -0.232 1.00 74.21 O ATOM 729 CB MET A 50 48.219 -15.676 -2.113 1.00 22.31 C ATOM 730 CG MET A 50 47.656 -15.493 -3.514 1.00 4.50 C ATOM 731 SD MET A 50 48.459 -14.167 -4.429 1.00 33.11 S ATOM 732 CE MET A 50 50.127 -14.832 -4.542 1.00 73.31 C ATOM 0 H MET A 50 46.500 -17.501 -1.914 1.00 21.14 H new ATOM 0 HA MET A 50 49.301 -17.453 -2.507 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.497 -15.302 -1.387 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.120 -15.071 -2.008 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.764 -16.426 -4.067 1.00 4.50 H new ATOM 0 HG3 MET A 50 46.588 -15.285 -3.446 1.00 4.50 H new ATOM 0 HE1 MET A 50 50.502 -14.703 -5.557 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.777 -14.304 -3.845 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.113 -15.893 -4.293 1.00 73.31 H new ATOM 742 N LYS A 51 48.240 -17.387 0.577 1.00 14.32 N ATOM 743 CA LYS A 51 48.618 -17.627 1.980 1.00 64.44 C ATOM 744 C LYS A 51 49.524 -18.845 2.073 1.00 30.11 C ATOM 745 O LYS A 51 50.573 -18.808 2.702 1.00 14.04 O ATOM 746 CB LYS A 51 47.385 -17.915 2.841 1.00 41.10 C ATOM 747 CG LYS A 51 46.389 -16.777 2.995 1.00 73.21 C ATOM 748 CD LYS A 51 45.187 -17.256 3.801 1.00 42.42 C ATOM 749 CE LYS A 51 44.048 -16.251 3.804 1.00 70.32 C ATOM 750 NZ LYS A 51 44.309 -15.080 4.650 1.00 25.31 N ATOM 0 H LYS A 51 47.233 -17.328 0.427 1.00 14.32 H new ATOM 0 HA LYS A 51 49.124 -16.730 2.337 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.863 -18.771 2.414 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.723 -18.210 3.834 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.862 -15.932 3.495 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.066 -16.427 2.014 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.832 -18.201 3.390 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.497 -17.451 4.828 1.00 42.42 H new ATOM 0 HE2 LYS A 51 43.863 -15.919 2.782 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.139 -16.744 4.148 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.762 -14.269 4.298 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 44.028 -15.289 5.629 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 45.323 -14.851 4.623 1.00 25.31 H new ATOM 764 N GLU A 52 49.121 -19.899 1.394 1.00 55.54 N ATOM 765 CA GLU A 52 49.822 -21.175 1.427 1.00 75.23 C ATOM 766 C GLU A 52 51.206 -21.068 0.827 1.00 14.34 C ATOM 767 O GLU A 52 52.140 -21.728 1.282 1.00 34.14 O ATOM 768 CB GLU A 52 49.006 -22.256 0.739 1.00 51.14 C ATOM 769 CG GLU A 52 47.692 -22.545 1.436 1.00 60.21 C ATOM 770 CD GLU A 52 46.852 -23.532 0.688 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.124 -23.127 -0.239 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.880 -24.724 1.009 1.00 34.40 O ATOM 0 H GLU A 52 48.293 -19.899 0.798 1.00 55.54 H new ATOM 0 HA GLU A 52 49.946 -21.457 2.473 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.806 -21.953 -0.289 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.594 -23.172 0.692 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.892 -22.927 2.437 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.135 -21.615 1.555 1.00 60.21 H new ATOM 779 N VAL A 53 51.358 -20.214 -0.171 1.00 43.32 N ATOM 780 CA VAL A 53 52.663 -19.999 -0.760 1.00 51.12 C ATOM 781 C VAL A 53 53.511 -19.266 0.239 1.00 21.10 C ATOM 782 O VAL A 53 54.610 -19.636 0.463 1.00 11.23 O ATOM 783 CB VAL A 53 52.595 -19.181 -2.055 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.936 -19.179 -2.757 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.514 -19.702 -2.959 1.00 10.42 C ATOM 0 H VAL A 53 50.603 -19.666 -0.584 1.00 43.32 H new ATOM 0 HA VAL A 53 53.087 -20.971 -1.013 1.00 51.12 H new ATOM 0 HB VAL A 53 52.348 -18.151 -1.796 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.866 -18.593 -3.673 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.689 -18.740 -2.102 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.220 -20.202 -3.001 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.484 -19.106 -3.871 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.721 -20.742 -3.211 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.552 -19.636 -2.451 1.00 10.42 H new ATOM 795 N LEU A 54 52.956 -18.253 0.860 1.00 70.30 N ATOM 796 CA LEU A 54 53.662 -17.503 1.892 1.00 2.43 C ATOM 797 C LEU A 54 54.132 -18.442 2.982 1.00 14.03 C ATOM 798 O LEU A 54 55.268 -18.363 3.432 1.00 21.52 O ATOM 799 CB LEU A 54 52.779 -16.416 2.512 1.00 11.33 C ATOM 800 CG LEU A 54 52.178 -15.398 1.556 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.430 -14.328 2.308 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.231 -14.821 0.637 1.00 72.44 C ATOM 0 H LEU A 54 52.010 -17.921 0.672 1.00 70.30 H new ATOM 0 HA LEU A 54 54.516 -17.019 1.417 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.964 -16.904 3.047 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.370 -15.879 3.254 1.00 11.33 H new ATOM 0 HG LEU A 54 51.454 -15.912 0.923 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.010 -13.613 1.601 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.625 -14.784 2.885 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.113 -13.813 2.983 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.770 -14.096 -0.035 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.001 -14.328 1.230 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.682 -15.622 0.052 1.00 72.44 H new ATOM 814 N PHE A 55 53.284 -19.373 3.350 1.00 3.44 N ATOM 815 CA PHE A 55 53.639 -20.315 4.383 1.00 31.34 C ATOM 816 C PHE A 55 54.744 -21.247 3.914 1.00 34.30 C ATOM 817 O PHE A 55 55.837 -21.228 4.457 1.00 13.01 O ATOM 818 CB PHE A 55 52.440 -21.129 4.886 1.00 43.03 C ATOM 819 CG PHE A 55 51.335 -20.326 5.519 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.614 -19.293 6.402 1.00 43.53 C ATOM 821 CD2 PHE A 55 50.011 -20.605 5.222 1.00 13.12 C ATOM 822 CE1 PHE A 55 50.594 -18.558 6.971 1.00 44.21 C ATOM 823 CE2 PHE A 55 48.991 -19.874 5.787 1.00 72.04 C ATOM 824 CZ PHE A 55 49.281 -18.851 6.661 1.00 42.14 C ATOM 0 H PHE A 55 52.352 -19.498 2.954 1.00 3.44 H new ATOM 0 HA PHE A 55 54.002 -19.723 5.223 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.025 -21.689 4.048 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.797 -21.860 5.612 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.640 -19.062 6.647 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.776 -21.407 4.538 1.00 13.12 H new ATOM 0 HE1 PHE A 55 50.822 -17.756 7.657 1.00 44.21 H new ATOM 0 HE2 PHE A 55 47.964 -20.103 5.545 1.00 72.04 H new ATOM 0 HZ PHE A 55 48.481 -18.277 7.105 1.00 42.14 H new ATOM 834 N TYR A 56 54.475 -22.021 2.886 1.00 63.30 N ATOM 835 CA TYR A 56 55.427 -23.017 2.409 1.00 1.22 C ATOM 836 C TYR A 56 56.678 -22.419 1.758 1.00 62.54 C ATOM 837 O TYR A 56 57.788 -22.891 2.005 1.00 21.03 O ATOM 838 CB TYR A 56 54.781 -23.991 1.449 1.00 51.34 C ATOM 839 CG TYR A 56 53.814 -24.957 2.053 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.270 -26.073 2.714 1.00 33.42 C ATOM 841 CD2 TYR A 56 52.451 -24.771 1.935 1.00 1.33 C ATOM 842 CE1 TYR A 56 53.396 -26.987 3.254 1.00 32.12 C ATOM 843 CE2 TYR A 56 51.564 -25.678 2.461 1.00 50.53 C ATOM 844 CZ TYR A 56 52.043 -26.789 3.123 1.00 61.21 C ATOM 845 OH TYR A 56 51.165 -27.717 3.633 1.00 44.45 O ATOM 0 H TYR A 56 53.603 -21.984 2.358 1.00 63.30 H new ATOM 0 HA TYR A 56 55.750 -23.544 3.307 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.262 -23.421 0.678 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.568 -24.558 0.952 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.333 -26.235 2.811 1.00 33.42 H new ATOM 0 HD2 TYR A 56 52.076 -23.898 1.421 1.00 1.33 H new ATOM 0 HE1 TYR A 56 53.771 -27.854 3.777 1.00 32.12 H new ATOM 0 HE2 TYR A 56 50.500 -25.523 2.357 1.00 50.53 H new ATOM 0 HH TYR A 56 50.245 -27.428 3.458 1.00 44.45 H new ATOM 855 N LEU A 57 56.517 -21.381 0.948 1.00 33.41 N ATOM 856 CA LEU A 57 57.652 -20.800 0.237 1.00 40.31 C ATOM 857 C LEU A 57 58.577 -20.172 1.267 1.00 40.54 C ATOM 858 O LEU A 57 59.806 -20.292 1.189 1.00 5.14 O ATOM 859 CB LEU A 57 57.172 -19.765 -0.833 1.00 53.03 C ATOM 860 CG LEU A 57 58.117 -19.449 -2.025 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.422 -18.571 -3.047 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.397 -18.779 -1.594 1.00 3.30 C ATOM 0 H LEU A 57 55.622 -20.927 0.767 1.00 33.41 H new ATOM 0 HA LEU A 57 58.194 -21.571 -0.310 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.228 -20.124 -1.243 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.961 -18.828 -0.318 1.00 53.03 H new ATOM 0 HG LEU A 57 58.372 -20.411 -2.470 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.104 -18.363 -3.872 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.538 -19.084 -3.427 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.124 -17.633 -2.578 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.017 -18.583 -2.469 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.165 -17.838 -1.095 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.935 -19.431 -0.906 1.00 3.30 H new ATOM 874 N GLY A 58 57.956 -19.592 2.282 1.00 34.05 N ATOM 875 CA GLY A 58 58.681 -18.983 3.370 1.00 74.30 C ATOM 876 C GLY A 58 59.509 -19.997 4.119 1.00 10.41 C ATOM 877 O GLY A 58 60.648 -19.707 4.508 1.00 32.52 O ATOM 0 H GLY A 58 56.941 -19.534 2.369 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.329 -18.198 2.982 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.979 -18.507 4.055 1.00 74.30 H new ATOM 881 N GLN A 59 58.959 -21.217 4.273 1.00 63.23 N ATOM 882 CA GLN A 59 59.648 -22.305 4.965 1.00 64.13 C ATOM 883 C GLN A 59 60.977 -22.558 4.306 1.00 12.12 C ATOM 884 O GLN A 59 62.000 -22.623 4.978 1.00 60.00 O ATOM 885 CB GLN A 59 58.854 -23.623 4.920 1.00 61.45 C ATOM 886 CG GLN A 59 57.444 -23.554 5.440 1.00 71.21 C ATOM 887 CD GLN A 59 57.353 -23.125 6.870 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.235 -23.401 7.684 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.320 -22.418 7.179 1.00 73.55 N ATOM 0 H GLN A 59 58.034 -21.467 3.923 1.00 63.23 H new ATOM 0 HA GLN A 59 59.763 -21.996 6.004 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.824 -23.973 3.888 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.397 -24.373 5.495 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.872 -22.860 4.824 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.978 -24.533 5.333 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.613 -22.213 6.473 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.210 -22.064 8.129 1.00 73.55 H new ATOM 898 N TYR A 60 60.956 -22.640 2.977 1.00 52.35 N ATOM 899 CA TYR A 60 62.136 -22.975 2.205 1.00 12.25 C ATOM 900 C TYR A 60 63.221 -21.907 2.329 1.00 54.12 C ATOM 901 O TYR A 60 64.403 -22.228 2.510 1.00 53.15 O ATOM 902 CB TYR A 60 61.789 -23.222 0.735 1.00 33.44 C ATOM 903 CG TYR A 60 62.946 -23.806 -0.050 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.294 -25.137 0.112 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.692 -23.033 -0.941 1.00 22.44 C ATOM 906 CE1 TYR A 60 64.350 -25.688 -0.576 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.754 -23.585 -1.641 1.00 63.13 C ATOM 908 CZ TYR A 60 65.077 -24.913 -1.450 1.00 64.01 C ATOM 909 OH TYR A 60 66.133 -25.472 -2.127 1.00 62.05 O ATOM 0 H TYR A 60 60.122 -22.476 2.414 1.00 52.35 H new ATOM 0 HA TYR A 60 62.534 -23.900 2.622 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.937 -23.899 0.676 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.482 -22.282 0.276 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.725 -25.754 0.792 1.00 3.25 H new ATOM 0 HD2 TYR A 60 63.439 -21.993 -1.087 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.608 -26.727 -0.430 1.00 41.23 H new ATOM 0 HE2 TYR A 60 65.324 -22.980 -2.331 1.00 63.13 H new ATOM 0 HH TYR A 60 66.544 -24.797 -2.706 1.00 62.05 H new ATOM 919 N ILE A 61 62.818 -20.646 2.293 1.00 22.33 N ATOM 920 CA ILE A 61 63.774 -19.545 2.342 1.00 54.32 C ATOM 921 C ILE A 61 64.393 -19.499 3.731 1.00 22.41 C ATOM 922 O ILE A 61 65.587 -19.216 3.889 1.00 45.34 O ATOM 923 CB ILE A 61 63.108 -18.170 2.071 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.175 -18.234 0.870 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.187 -17.103 1.795 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.426 -16.937 0.614 1.00 12.42 C ATOM 0 H ILE A 61 61.841 -20.358 2.230 1.00 22.33 H new ATOM 0 HA ILE A 61 64.519 -19.723 1.567 1.00 54.32 H new ATOM 0 HB ILE A 61 62.532 -17.906 2.958 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.754 -18.491 -0.017 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.454 -19.037 1.023 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.708 -16.142 1.606 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.844 -17.017 2.661 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.772 -17.395 0.923 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.780 -17.055 -0.256 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.819 -16.689 1.485 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.140 -16.135 0.429 1.00 12.42 H new ATOM 938 N MET A 62 63.578 -19.805 4.730 1.00 72.44 N ATOM 939 CA MET A 62 64.019 -19.797 6.107 1.00 41.23 C ATOM 940 C MET A 62 64.892 -20.995 6.446 1.00 61.21 C ATOM 941 O MET A 62 65.897 -20.848 7.112 1.00 12.42 O ATOM 942 CB MET A 62 62.848 -19.728 7.088 1.00 32.32 C ATOM 943 CG MET A 62 62.095 -18.416 7.069 1.00 13.52 C ATOM 944 SD MET A 62 60.790 -18.305 8.322 1.00 44.31 S ATOM 945 CE MET A 62 59.680 -19.610 7.799 1.00 63.31 C ATOM 0 H MET A 62 62.599 -20.064 4.605 1.00 72.44 H new ATOM 0 HA MET A 62 64.619 -18.893 6.213 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.152 -20.536 6.862 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.223 -19.903 8.096 1.00 32.32 H new ATOM 0 HG2 MET A 62 62.802 -17.600 7.220 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.652 -18.276 6.083 1.00 13.52 H new ATOM 0 HE1 MET A 62 58.803 -19.623 8.447 1.00 63.31 H new ATOM 0 HE2 MET A 62 59.368 -19.432 6.770 1.00 63.31 H new ATOM 0 HE3 MET A 62 60.192 -20.570 7.862 1.00 63.31 H new ATOM 955 N THR A 63 64.521 -22.164 5.960 1.00 24.30 N ATOM 956 CA THR A 63 65.236 -23.407 6.312 1.00 13.21 C ATOM 957 C THR A 63 66.615 -23.467 5.657 1.00 64.20 C ATOM 958 O THR A 63 67.579 -23.963 6.237 1.00 74.44 O ATOM 959 CB THR A 63 64.397 -24.706 5.998 1.00 32.20 C ATOM 960 OG1 THR A 63 65.069 -25.881 6.475 1.00 73.21 O ATOM 961 CG2 THR A 63 64.144 -24.872 4.511 1.00 71.34 C ATOM 0 H THR A 63 63.735 -22.294 5.323 1.00 24.30 H new ATOM 0 HA THR A 63 65.377 -23.381 7.392 1.00 13.21 H new ATOM 0 HB THR A 63 63.443 -24.586 6.512 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.529 -26.673 6.270 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.563 -25.778 4.340 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.590 -24.010 4.138 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.096 -24.947 3.986 1.00 71.34 H new ATOM 969 N LYS A 64 66.715 -22.940 4.470 1.00 74.50 N ATOM 970 CA LYS A 64 67.973 -22.930 3.758 1.00 35.22 C ATOM 971 C LYS A 64 68.766 -21.700 4.109 1.00 24.12 C ATOM 972 O LYS A 64 69.976 -21.659 3.920 1.00 50.03 O ATOM 973 CB LYS A 64 67.714 -22.960 2.267 1.00 41.22 C ATOM 974 CG LYS A 64 67.068 -24.227 1.768 1.00 22.42 C ATOM 975 CD LYS A 64 68.010 -25.411 1.890 1.00 13.51 C ATOM 976 CE LYS A 64 67.396 -26.702 1.372 1.00 12.10 C ATOM 977 NZ LYS A 64 68.354 -27.827 1.459 1.00 42.24 N ATOM 0 H LYS A 64 65.939 -22.508 3.968 1.00 74.50 H new ATOM 0 HA LYS A 64 68.546 -23.811 4.047 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.077 -22.115 2.005 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.660 -22.820 1.744 1.00 41.22 H new ATOM 0 HG2 LYS A 64 66.159 -24.423 2.337 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.772 -24.101 0.727 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.925 -25.201 1.337 1.00 13.51 H new ATOM 0 HD3 LYS A 64 68.292 -25.541 2.935 1.00 13.51 H new ATOM 0 HE2 LYS A 64 66.501 -26.938 1.948 1.00 12.10 H new ATOM 0 HE3 LYS A 64 67.082 -26.568 0.337 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 67.906 -28.693 1.098 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 69.197 -27.610 0.889 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 68.634 -27.969 2.451 1.00 42.24 H new ATOM 991 N ARG A 65 68.062 -20.715 4.625 1.00 62.41 N ATOM 992 CA ARG A 65 68.624 -19.406 4.951 1.00 10.24 C ATOM 993 C ARG A 65 69.124 -18.745 3.680 1.00 55.32 C ATOM 994 O ARG A 65 70.330 -18.593 3.457 1.00 33.21 O ATOM 995 CB ARG A 65 69.737 -19.435 6.032 1.00 10.13 C ATOM 996 CG ARG A 65 69.360 -18.752 7.341 1.00 12.01 C ATOM 997 CD ARG A 65 68.447 -19.600 8.190 1.00 0.21 C ATOM 998 NE ARG A 65 69.177 -20.698 8.815 1.00 35.32 N ATOM 999 CZ ARG A 65 68.647 -21.822 9.286 1.00 62.31 C ATOM 1000 NH1 ARG A 65 67.375 -22.131 9.046 1.00 53.35 N ATOM 1001 NH2 ARG A 65 69.408 -22.654 9.966 1.00 23.34 N ATOM 0 H ARG A 65 67.067 -20.795 4.836 1.00 62.41 H new ATOM 0 HA ARG A 65 67.817 -18.823 5.395 1.00 10.24 H new ATOM 0 HB2 ARG A 65 69.998 -20.473 6.240 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.630 -18.956 5.630 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.266 -18.524 7.903 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.872 -17.802 7.124 1.00 12.01 H new ATOM 0 HD2 ARG A 65 67.984 -18.982 8.960 1.00 0.21 H new ATOM 0 HD3 ARG A 65 67.641 -19.999 7.575 1.00 0.21 H new ATOM 0 HE ARG A 65 70.188 -20.593 8.898 1.00 35.32 H new ATOM 0 HH11 ARG A 65 66.793 -21.501 8.494 1.00 53.35 H new ATOM 0 HH12 ARG A 65 66.982 -22.997 9.414 1.00 53.35 H new ATOM 0 HH21 ARG A 65 70.391 -22.432 10.125 1.00 23.34 H new ATOM 0 HH22 ARG A 65 69.015 -23.520 10.333 1.00 23.34 H new ATOM 1015 N LEU A 66 68.185 -18.424 2.812 1.00 53.51 N ATOM 1016 CA LEU A 66 68.505 -17.832 1.519 1.00 71.15 C ATOM 1017 C LEU A 66 68.433 -16.316 1.601 1.00 32.04 C ATOM 1018 O LEU A 66 68.698 -15.608 0.627 1.00 73.22 O ATOM 1019 CB LEU A 66 67.534 -18.337 0.440 1.00 33.23 C ATOM 1020 CG LEU A 66 67.415 -19.852 0.270 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.365 -20.186 -0.777 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.749 -20.459 -0.120 1.00 42.44 C ATOM 0 H LEU A 66 67.188 -18.562 2.976 1.00 53.51 H new ATOM 0 HA LEU A 66 69.519 -18.128 1.249 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.543 -17.942 0.664 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.838 -17.911 -0.516 1.00 33.23 H new ATOM 0 HG LEU A 66 67.110 -20.277 1.226 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.292 -21.268 -0.887 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.400 -19.787 -0.465 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.649 -19.743 -1.731 1.00 34.12 H new ATOM 0 HD21 LEU A 66 68.638 -21.537 -0.235 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.084 -20.026 -1.063 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.485 -20.251 0.657 1.00 42.44 H new ATOM 1034 N TYR A 67 68.122 -15.818 2.770 1.00 50.33 N ATOM 1035 CA TYR A 67 67.952 -14.400 2.962 1.00 63.44 C ATOM 1036 C TYR A 67 69.251 -13.747 3.376 1.00 41.21 C ATOM 1037 O TYR A 67 70.285 -14.424 3.474 1.00 0.14 O ATOM 1038 CB TYR A 67 66.773 -14.060 3.912 1.00 32.51 C ATOM 1039 CG TYR A 67 66.833 -14.686 5.288 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.320 -15.959 5.510 1.00 64.31 C ATOM 1041 CD2 TYR A 67 67.386 -14.004 6.364 1.00 24.21 C ATOM 1042 CE1 TYR A 67 66.358 -16.538 6.759 1.00 44.51 C ATOM 1043 CE2 TYR A 67 67.426 -14.582 7.625 1.00 3.00 C ATOM 1044 CZ TYR A 67 66.910 -15.850 7.813 1.00 62.24 C ATOM 1045 OH TYR A 67 66.948 -16.440 9.069 1.00 52.04 O ATOM 0 H TYR A 67 67.980 -16.379 3.610 1.00 50.33 H new ATOM 0 HA TYR A 67 67.674 -13.974 1.998 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.726 -12.977 4.028 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.844 -14.370 3.433 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.883 -16.505 4.687 1.00 64.31 H new ATOM 0 HD2 TYR A 67 67.789 -13.013 6.218 1.00 24.21 H new ATOM 0 HE1 TYR A 67 65.956 -17.529 6.910 1.00 44.51 H new ATOM 0 HE2 TYR A 67 67.858 -14.043 8.455 1.00 3.00 H new ATOM 0 HH TYR A 67 67.370 -15.826 9.706 1.00 52.04 H new ATOM 1055 N ASP A 68 69.232 -12.457 3.531 1.00 63.44 N ATOM 1056 CA ASP A 68 70.422 -11.720 3.889 1.00 21.32 C ATOM 1057 C ASP A 68 70.805 -12.000 5.322 1.00 52.35 C ATOM 1058 O ASP A 68 69.968 -12.334 6.145 1.00 13.34 O ATOM 1059 CB ASP A 68 70.210 -10.226 3.690 1.00 1.00 C ATOM 1060 CG ASP A 68 71.457 -9.416 3.930 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.570 -9.919 3.681 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.355 -8.290 4.418 1.00 62.33 O ATOM 0 H ASP A 68 68.398 -11.881 3.415 1.00 63.44 H new ATOM 0 HA ASP A 68 71.232 -12.047 3.237 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.857 -10.047 2.674 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.426 -9.883 4.365 1.00 1.00 H new ATOM 1067 N GLU A 69 72.060 -11.885 5.603 1.00 63.22 N ATOM 1068 CA GLU A 69 72.567 -12.122 6.917 1.00 62.14 C ATOM 1069 C GLU A 69 72.605 -10.838 7.737 1.00 64.00 C ATOM 1070 O GLU A 69 72.844 -10.874 8.950 1.00 30.11 O ATOM 1071 CB GLU A 69 73.939 -12.773 6.849 1.00 42.41 C ATOM 1072 CG GLU A 69 74.928 -12.031 5.979 1.00 61.33 C ATOM 1073 CD GLU A 69 76.289 -12.642 6.024 1.00 74.11 C ATOM 1074 OE1 GLU A 69 76.543 -13.608 5.279 1.00 24.54 O ATOM 1075 OE2 GLU A 69 77.133 -12.161 6.813 1.00 52.31 O ATOM 0 H GLU A 69 72.771 -11.621 4.921 1.00 63.22 H new ATOM 0 HA GLU A 69 71.889 -12.809 7.423 1.00 62.14 H new ATOM 0 HB2 GLU A 69 74.344 -12.850 7.858 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.829 -13.790 6.471 1.00 42.41 H new ATOM 0 HG2 GLU A 69 74.569 -12.023 4.950 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.987 -10.992 6.304 1.00 61.33 H new ATOM 1082 N LYS A 70 72.386 -9.704 7.085 1.00 21.31 N ATOM 1083 CA LYS A 70 72.420 -8.426 7.788 1.00 43.13 C ATOM 1084 C LYS A 70 70.996 -7.906 7.968 1.00 3.23 C ATOM 1085 O LYS A 70 70.684 -7.237 8.955 1.00 14.52 O ATOM 1086 CB LYS A 70 73.153 -7.390 6.948 1.00 51.11 C ATOM 1087 CG LYS A 70 74.295 -7.914 6.095 1.00 5.05 C ATOM 1088 CD LYS A 70 75.492 -8.420 6.880 1.00 31.00 C ATOM 1089 CE LYS A 70 76.590 -8.857 5.919 1.00 65.43 C ATOM 1090 NZ LYS A 70 77.732 -9.510 6.600 1.00 33.03 N ATOM 0 H LYS A 70 72.186 -9.641 6.087 1.00 21.31 H new ATOM 0 HA LYS A 70 72.916 -8.578 8.746 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.430 -6.904 6.293 1.00 51.11 H new ATOM 0 HB3 LYS A 70 73.546 -6.622 7.615 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.921 -8.723 5.468 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.626 -7.119 5.426 1.00 5.05 H new ATOM 0 HD2 LYS A 70 75.864 -7.636 7.540 1.00 31.00 H new ATOM 0 HD3 LYS A 70 75.196 -9.256 7.514 1.00 31.00 H new ATOM 0 HE2 LYS A 70 76.170 -9.545 5.186 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.951 -7.988 5.370 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 78.533 -9.585 5.940 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 78.015 -8.943 7.425 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 77.451 -10.461 6.914 1.00 33.03 H new ATOM 1104 N GLN A 71 70.136 -8.231 7.022 1.00 50.03 N ATOM 1105 CA GLN A 71 68.734 -7.804 7.062 1.00 5.34 C ATOM 1106 C GLN A 71 67.769 -8.952 6.836 1.00 62.15 C ATOM 1107 O GLN A 71 68.120 -9.965 6.255 1.00 64.52 O ATOM 1108 CB GLN A 71 68.465 -6.698 6.032 1.00 3.32 C ATOM 1109 CG GLN A 71 69.016 -5.326 6.402 1.00 21.51 C ATOM 1110 CD GLN A 71 68.354 -4.761 7.644 1.00 43.20 C ATOM 1111 OE1 GLN A 71 67.328 -4.089 7.560 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.914 -5.026 8.787 1.00 3.50 N ATOM 0 H GLN A 71 70.378 -8.794 6.206 1.00 50.03 H new ATOM 0 HA GLN A 71 68.562 -7.416 8.066 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.894 -7.000 5.077 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.388 -6.613 5.885 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.091 -5.400 6.567 1.00 21.51 H new ATOM 0 HG3 GLN A 71 68.868 -4.639 5.568 1.00 21.51 H new ATOM 0 HE21 GLN A 71 69.765 -5.587 8.820 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.502 -4.673 9.651 1.00 3.50 H new ATOM 1121 N GLN A 72 66.546 -8.767 7.301 1.00 33.03 N ATOM 1122 CA GLN A 72 65.489 -9.749 7.150 1.00 64.41 C ATOM 1123 C GLN A 72 64.663 -9.463 5.886 1.00 73.12 C ATOM 1124 O GLN A 72 64.257 -10.382 5.192 1.00 1.14 O ATOM 1125 CB GLN A 72 64.570 -9.757 8.384 1.00 2.34 C ATOM 1126 CG GLN A 72 65.259 -10.117 9.703 1.00 64.34 C ATOM 1127 CD GLN A 72 65.766 -11.553 9.772 1.00 20.23 C ATOM 1128 OE1 GLN A 72 66.892 -11.845 9.390 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.973 -12.440 10.329 1.00 52.04 N ATOM 0 H GLN A 72 66.257 -7.924 7.798 1.00 33.03 H new ATOM 0 HA GLN A 72 65.954 -10.730 7.054 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.116 -8.771 8.486 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.760 -10.465 8.210 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.099 -9.439 9.858 1.00 64.34 H new ATOM 0 HG3 GLN A 72 64.560 -9.951 10.522 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.040 -12.167 10.638 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.291 -13.401 10.453 1.00 52.04 H new ATOM 1138 N HIS A 73 64.416 -8.170 5.579 1.00 20.12 N ATOM 1139 CA HIS A 73 63.605 -7.815 4.390 1.00 23.35 C ATOM 1140 C HIS A 73 64.378 -7.925 3.083 1.00 72.14 C ATOM 1141 O HIS A 73 63.844 -7.635 2.006 1.00 10.11 O ATOM 1142 CB HIS A 73 62.906 -6.430 4.502 1.00 41.31 C ATOM 1143 CG HIS A 73 63.802 -5.211 4.584 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.949 -4.470 5.725 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.543 -4.582 3.639 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.731 -3.440 5.496 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.109 -3.485 4.232 1.00 73.14 N ATOM 0 H HIS A 73 64.755 -7.374 6.120 1.00 20.12 H new ATOM 0 HA HIS A 73 62.817 -8.568 4.370 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.250 -6.311 3.639 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.270 -6.443 5.387 1.00 41.31 H new ATOM 0 HD2 HIS A 73 64.664 -4.889 2.611 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.015 -2.687 6.216 1.00 3.33 H new ATOM 0 HE2 HIS A 73 65.723 -2.812 3.772 1.00 73.14 H new ATOM 1155 N ILE A 74 65.599 -8.340 3.184 1.00 50.14 N ATOM 1156 CA ILE A 74 66.437 -8.540 2.042 1.00 22.31 C ATOM 1157 C ILE A 74 66.724 -10.002 1.944 1.00 55.40 C ATOM 1158 O ILE A 74 67.217 -10.613 2.886 1.00 73.00 O ATOM 1159 CB ILE A 74 67.769 -7.720 2.108 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.475 -6.213 2.099 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.707 -8.082 0.947 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.716 -5.752 0.866 1.00 73.44 C ATOM 0 H ILE A 74 66.050 -8.553 4.073 1.00 50.14 H new ATOM 0 HA ILE A 74 65.914 -8.179 1.156 1.00 22.31 H new ATOM 0 HB ILE A 74 68.270 -7.978 3.041 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.898 -5.958 2.988 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.416 -5.667 2.162 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.622 -7.495 1.022 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.951 -9.143 0.994 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.214 -7.865 -0.000 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.543 -4.678 0.926 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.301 -5.976 -0.026 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.759 -6.272 0.812 1.00 73.44 H new ATOM 1174 N VAL A 75 66.351 -10.578 0.860 1.00 45.43 N ATOM 1175 CA VAL A 75 66.589 -11.960 0.650 1.00 24.42 C ATOM 1176 C VAL A 75 67.487 -12.066 -0.533 1.00 52.54 C ATOM 1177 O VAL A 75 67.328 -11.316 -1.458 1.00 42.31 O ATOM 1178 CB VAL A 75 65.281 -12.724 0.364 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.514 -14.213 0.352 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.214 -12.364 1.364 1.00 11.12 C ATOM 0 H VAL A 75 65.872 -10.106 0.093 1.00 45.43 H new ATOM 0 HA VAL A 75 67.033 -12.398 1.544 1.00 24.42 H new ATOM 0 HB VAL A 75 64.935 -12.426 -0.626 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.575 -14.727 0.148 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.239 -14.462 -0.423 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.897 -14.529 1.322 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.302 -12.917 1.138 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.555 -12.619 2.367 1.00 11.12 H new ATOM 0 HG23 VAL A 75 64.012 -11.294 1.311 1.00 11.12 H new ATOM 1190 N TYR A 76 68.441 -12.932 -0.511 1.00 5.33 N ATOM 1191 CA TYR A 76 69.296 -13.049 -1.647 1.00 2.23 C ATOM 1192 C TYR A 76 68.804 -14.077 -2.616 1.00 20.23 C ATOM 1193 O TYR A 76 68.287 -13.720 -3.676 1.00 22.13 O ATOM 1194 CB TYR A 76 70.736 -13.320 -1.242 1.00 71.42 C ATOM 1195 CG TYR A 76 71.527 -12.077 -0.968 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.152 -11.183 0.019 1.00 72.11 C ATOM 1197 CD2 TYR A 76 72.644 -11.789 -1.726 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.876 -10.034 0.243 1.00 3.12 C ATOM 1199 CE2 TYR A 76 73.374 -10.648 -1.512 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.992 -9.773 -0.529 1.00 44.23 C ATOM 1201 OH TYR A 76 73.728 -8.626 -0.321 1.00 11.02 O ATOM 0 H TYR A 76 68.649 -13.561 0.265 1.00 5.33 H new ATOM 0 HA TYR A 76 69.273 -12.086 -2.157 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.742 -13.948 -0.351 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.227 -13.886 -2.034 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.280 -11.389 0.622 1.00 72.11 H new ATOM 0 HD2 TYR A 76 72.949 -12.475 -2.502 1.00 34.51 H new ATOM 0 HE1 TYR A 76 71.574 -9.342 1.016 1.00 3.12 H new ATOM 0 HE2 TYR A 76 74.245 -10.440 -2.115 1.00 53.13 H new ATOM 0 HH TYR A 76 74.479 -8.601 -0.950 1.00 11.02 H new ATOM 1211 N CYS A 77 68.883 -15.347 -2.219 1.00 54.53 N ATOM 1212 CA CYS A 77 68.552 -16.458 -3.101 1.00 52.14 C ATOM 1213 C CYS A 77 69.390 -16.365 -4.383 1.00 4.33 C ATOM 1214 O CYS A 77 68.952 -16.754 -5.474 1.00 62.20 O ATOM 1215 CB CYS A 77 67.052 -16.474 -3.412 1.00 61.41 C ATOM 1216 SG CYS A 77 66.016 -16.651 -1.959 1.00 54.33 S ATOM 0 H CYS A 77 69.176 -15.630 -1.284 1.00 54.53 H new ATOM 0 HA CYS A 77 68.790 -17.397 -2.601 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.787 -15.550 -3.926 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.841 -17.293 -4.100 1.00 61.41 H new ATOM 0 HG CYS A 77 65.679 -17.898 -1.815 1.00 54.33 H new ATOM 1222 N SER A 78 70.609 -15.877 -4.224 1.00 74.53 N ATOM 1223 CA SER A 78 71.516 -15.739 -5.313 1.00 1.24 C ATOM 1224 C SER A 78 72.023 -17.125 -5.619 1.00 20.30 C ATOM 1225 O SER A 78 72.208 -17.931 -4.699 1.00 21.43 O ATOM 1226 CB SER A 78 72.664 -14.795 -4.928 1.00 41.00 C ATOM 1227 OG SER A 78 73.454 -14.405 -6.054 1.00 62.31 O ATOM 0 H SER A 78 70.983 -15.569 -3.326 1.00 74.53 H new ATOM 0 HA SER A 78 71.034 -15.306 -6.189 1.00 1.24 H new ATOM 0 HB2 SER A 78 72.254 -13.905 -4.451 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.302 -15.285 -4.193 1.00 41.00 H new ATOM 0 HG SER A 78 74.170 -13.804 -5.759 1.00 62.31 H new ATOM 1233 N ASN A 79 72.176 -17.422 -6.899 1.00 41.54 N ATOM 1234 CA ASN A 79 72.570 -18.747 -7.411 1.00 73.42 C ATOM 1235 C ASN A 79 71.371 -19.695 -7.385 1.00 0.00 C ATOM 1236 O ASN A 79 71.453 -20.842 -7.830 1.00 53.23 O ATOM 1237 CB ASN A 79 73.802 -19.368 -6.680 1.00 72.51 C ATOM 1238 CG ASN A 79 75.071 -18.516 -6.773 1.00 60.42 C ATOM 1239 OD1 ASN A 79 75.316 -17.638 -5.929 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.892 -18.773 -7.765 1.00 12.14 N ATOM 0 H ASN A 79 72.028 -16.737 -7.640 1.00 41.54 H new ATOM 0 HA ASN A 79 72.895 -18.600 -8.441 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.552 -19.517 -5.630 1.00 72.51 H new ATOM 0 HB3 ASN A 79 74.005 -20.352 -7.102 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.760 -18.245 -7.859 1.00 12.14 H new ATOM 0 HD22 ASN A 79 75.662 -19.501 -8.442 1.00 12.14 H new ATOM 1247 N ASP A 80 70.252 -19.193 -6.878 1.00 63.10 N ATOM 1248 CA ASP A 80 68.992 -19.913 -6.845 1.00 44.31 C ATOM 1249 C ASP A 80 68.075 -19.216 -7.843 1.00 54.24 C ATOM 1250 O ASP A 80 68.413 -18.129 -8.335 1.00 62.42 O ATOM 1251 CB ASP A 80 68.374 -19.906 -5.419 1.00 54.35 C ATOM 1252 CG ASP A 80 67.110 -20.745 -5.304 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.013 -20.229 -5.589 1.00 51.55 O ATOM 1254 OD2 ASP A 80 67.207 -21.944 -4.967 1.00 31.11 O ATOM 0 H ASP A 80 70.197 -18.259 -6.472 1.00 63.10 H new ATOM 0 HA ASP A 80 69.136 -20.961 -7.108 1.00 44.31 H new ATOM 0 HB2 ASP A 80 69.113 -20.277 -4.709 1.00 54.35 H new ATOM 0 HB3 ASP A 80 68.146 -18.879 -5.135 1.00 54.35 H new ATOM 1259 N LEU A 81 66.961 -19.796 -8.161 1.00 71.31 N ATOM 1260 CA LEU A 81 66.117 -19.239 -9.182 1.00 11.32 C ATOM 1261 C LEU A 81 65.068 -18.291 -8.570 1.00 12.11 C ATOM 1262 O LEU A 81 64.478 -17.496 -9.265 1.00 75.03 O ATOM 1263 CB LEU A 81 65.483 -20.380 -10.014 1.00 25.11 C ATOM 1264 CG LEU A 81 65.271 -20.133 -11.539 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.174 -19.137 -11.814 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.553 -19.638 -12.175 1.00 21.25 C ATOM 0 H LEU A 81 66.611 -20.653 -7.732 1.00 71.31 H new ATOM 0 HA LEU A 81 66.716 -18.632 -9.861 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.109 -21.265 -9.901 1.00 25.11 H new ATOM 0 HB3 LEU A 81 64.514 -20.617 -9.575 1.00 25.11 H new ATOM 0 HG LEU A 81 64.977 -21.089 -11.972 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.067 -19.001 -12.890 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.236 -19.506 -11.400 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.425 -18.183 -11.351 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.390 -19.470 -13.240 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.856 -18.704 -11.703 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.337 -20.383 -12.041 1.00 21.25 H new ATOM 1278 N LEU A 82 64.884 -18.351 -7.258 1.00 22.23 N ATOM 1279 CA LEU A 82 63.900 -17.514 -6.581 1.00 31.14 C ATOM 1280 C LEU A 82 64.221 -16.015 -6.758 1.00 51.53 C ATOM 1281 O LEU A 82 63.371 -15.224 -7.235 1.00 75.13 O ATOM 1282 CB LEU A 82 63.824 -17.904 -5.104 1.00 51.31 C ATOM 1283 CG LEU A 82 62.875 -17.102 -4.236 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.461 -17.163 -4.787 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.917 -17.605 -2.804 1.00 64.25 C ATOM 0 H LEU A 82 65.405 -18.972 -6.639 1.00 22.23 H new ATOM 0 HA LEU A 82 62.923 -17.681 -7.035 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.536 -18.953 -5.044 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.824 -17.823 -4.679 1.00 51.31 H new ATOM 0 HG LEU A 82 63.196 -16.060 -4.245 1.00 44.45 H new ATOM 0 HD11 LEU A 82 60.796 -16.581 -4.149 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.446 -16.753 -5.797 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.124 -18.199 -4.811 1.00 51.52 H new ATOM 0 HD21 LEU A 82 62.230 -17.020 -2.192 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.622 -18.654 -2.778 1.00 64.25 H new ATOM 0 HD23 LEU A 82 63.929 -17.503 -2.412 1.00 64.25 H new ATOM 1297 N GLY A 83 65.448 -15.637 -6.425 1.00 33.33 N ATOM 1298 CA GLY A 83 65.867 -14.264 -6.604 1.00 13.41 C ATOM 1299 C GLY A 83 65.886 -13.920 -8.070 1.00 23.02 C ATOM 1300 O GLY A 83 65.460 -12.815 -8.485 1.00 63.21 O ATOM 0 H GLY A 83 66.158 -16.256 -6.035 1.00 33.33 H new ATOM 0 HA2 GLY A 83 65.189 -13.596 -6.074 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.858 -14.118 -6.175 1.00 13.41 H new ATOM 1304 N ASP A 84 66.305 -14.907 -8.868 1.00 74.23 N ATOM 1305 CA ASP A 84 66.386 -14.766 -10.314 1.00 72.30 C ATOM 1306 C ASP A 84 65.051 -14.332 -10.847 1.00 60.45 C ATOM 1307 O ASP A 84 64.984 -13.318 -11.515 1.00 21.25 O ATOM 1308 CB ASP A 84 66.824 -16.069 -10.991 1.00 32.43 C ATOM 1309 CG ASP A 84 66.919 -15.943 -12.507 1.00 23.04 C ATOM 1310 OD1 ASP A 84 65.902 -16.141 -13.214 1.00 12.11 O ATOM 1311 OD2 ASP A 84 68.020 -15.639 -13.021 1.00 34.12 O ATOM 0 H ASP A 84 66.596 -15.822 -8.525 1.00 74.23 H new ATOM 0 HA ASP A 84 67.140 -14.012 -10.540 1.00 72.30 H new ATOM 0 HB2 ASP A 84 67.793 -16.371 -10.595 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.116 -16.859 -10.740 1.00 32.43 H new ATOM 1316 N LEU A 85 63.987 -15.079 -10.446 1.00 51.32 N ATOM 1317 CA LEU A 85 62.560 -14.833 -10.805 1.00 55.15 C ATOM 1318 C LEU A 85 62.143 -13.401 -10.626 1.00 45.10 C ATOM 1319 O LEU A 85 61.490 -12.831 -11.505 1.00 62.02 O ATOM 1320 CB LEU A 85 61.615 -15.702 -9.976 1.00 35.13 C ATOM 1321 CG LEU A 85 61.588 -17.180 -10.287 1.00 61.13 C ATOM 1322 CD1 LEU A 85 60.704 -17.905 -9.296 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.106 -17.401 -11.709 1.00 34.22 C ATOM 0 H LEU A 85 64.101 -15.895 -9.845 1.00 51.32 H new ATOM 0 HA LEU A 85 62.489 -15.090 -11.862 1.00 55.15 H new ATOM 0 HB2 LEU A 85 61.880 -15.582 -8.925 1.00 35.13 H new ATOM 0 HB3 LEU A 85 60.604 -15.312 -10.097 1.00 35.13 H new ATOM 0 HG LEU A 85 62.597 -17.584 -10.200 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.692 -18.970 -9.530 1.00 14.13 H new ATOM 0 HD12 LEU A 85 61.092 -17.759 -8.288 1.00 14.13 H new ATOM 0 HD13 LEU A 85 59.690 -17.509 -9.355 1.00 14.13 H new ATOM 0 HD21 LEU A 85 61.089 -18.469 -11.926 1.00 34.22 H new ATOM 0 HD22 LEU A 85 60.102 -16.992 -11.820 1.00 34.22 H new ATOM 0 HD23 LEU A 85 61.780 -16.900 -12.404 1.00 34.22 H new ATOM 1335 N PHE A 86 62.496 -12.817 -9.494 1.00 13.22 N ATOM 1336 CA PHE A 86 62.185 -11.396 -9.221 1.00 14.21 C ATOM 1337 C PHE A 86 62.866 -10.524 -10.285 1.00 25.43 C ATOM 1338 O PHE A 86 62.400 -9.442 -10.652 1.00 74.23 O ATOM 1339 CB PHE A 86 62.742 -11.052 -7.864 1.00 60.11 C ATOM 1340 CG PHE A 86 62.319 -9.695 -7.278 1.00 12.33 C ATOM 1341 CD1 PHE A 86 62.889 -8.510 -7.726 1.00 61.20 C ATOM 1342 CD2 PHE A 86 61.376 -9.619 -6.274 1.00 60.04 C ATOM 1343 CE1 PHE A 86 62.525 -7.300 -7.188 1.00 21.42 C ATOM 1344 CE2 PHE A 86 61.015 -8.411 -5.726 1.00 63.23 C ATOM 1345 CZ PHE A 86 61.588 -7.251 -6.186 1.00 2.54 C ATOM 0 H PHE A 86 62.997 -13.290 -8.742 1.00 13.22 H new ATOM 0 HA PHE A 86 61.109 -11.224 -9.245 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.446 -11.834 -7.165 1.00 60.11 H new ATOM 0 HB3 PHE A 86 63.830 -11.074 -7.925 1.00 60.11 H new ATOM 0 HD1 PHE A 86 63.631 -8.541 -8.510 1.00 61.20 H new ATOM 0 HD2 PHE A 86 60.913 -10.525 -5.912 1.00 60.04 H new ATOM 0 HE1 PHE A 86 62.975 -6.389 -7.553 1.00 21.42 H new ATOM 0 HE2 PHE A 86 60.281 -8.374 -4.934 1.00 63.23 H new ATOM 0 HZ PHE A 86 61.302 -6.301 -5.760 1.00 2.54 H new ATOM 1355 N GLY A 87 63.917 -11.052 -10.793 1.00 24.41 N ATOM 1356 CA GLY A 87 64.710 -10.416 -11.825 1.00 31.24 C ATOM 1357 C GLY A 87 65.910 -9.792 -11.228 1.00 3.13 C ATOM 1358 O GLY A 87 66.362 -8.724 -11.657 1.00 20.13 O ATOM 0 H GLY A 87 64.275 -11.963 -10.507 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.006 -11.152 -12.573 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.115 -9.661 -12.339 1.00 31.24 H new ATOM 1362 N VAL A 88 66.461 -10.470 -10.245 1.00 0.24 N ATOM 1363 CA VAL A 88 67.579 -9.905 -9.455 1.00 65.43 C ATOM 1364 C VAL A 88 68.468 -11.001 -8.859 1.00 62.04 C ATOM 1365 O VAL A 88 68.205 -12.177 -9.052 1.00 2.43 O ATOM 1366 CB VAL A 88 67.052 -9.042 -8.261 1.00 34.42 C ATOM 1367 CG1 VAL A 88 66.487 -7.694 -8.693 1.00 53.13 C ATOM 1368 CG2 VAL A 88 66.013 -9.806 -7.518 1.00 52.45 C ATOM 0 H VAL A 88 66.170 -11.406 -9.961 1.00 0.24 H new ATOM 0 HA VAL A 88 68.153 -9.292 -10.150 1.00 65.43 H new ATOM 0 HB VAL A 88 67.908 -8.831 -7.621 1.00 34.42 H new ATOM 0 HG11 VAL A 88 66.140 -7.147 -7.816 1.00 53.13 H new ATOM 0 HG12 VAL A 88 67.264 -7.118 -9.196 1.00 53.13 H new ATOM 0 HG13 VAL A 88 65.653 -7.851 -9.377 1.00 53.13 H new ATOM 0 HG21 VAL A 88 65.645 -9.206 -6.686 1.00 52.45 H new ATOM 0 HG22 VAL A 88 65.186 -10.042 -8.188 1.00 52.45 H new ATOM 0 HG23 VAL A 88 66.445 -10.730 -7.135 1.00 52.45 H new ATOM 1378 N PRO A 89 69.593 -10.632 -8.203 1.00 11.32 N ATOM 1379 CA PRO A 89 70.384 -11.566 -7.416 1.00 74.43 C ATOM 1380 C PRO A 89 69.989 -11.529 -5.914 1.00 61.01 C ATOM 1381 O PRO A 89 70.487 -12.309 -5.115 1.00 1.24 O ATOM 1382 CB PRO A 89 71.824 -11.063 -7.609 1.00 25.13 C ATOM 1383 CG PRO A 89 71.715 -9.700 -8.257 1.00 40.51 C ATOM 1384 CD PRO A 89 70.261 -9.325 -8.272 1.00 22.11 C ATOM 0 HA PRO A 89 70.240 -12.600 -7.729 1.00 74.43 H new ATOM 0 HB2 PRO A 89 72.345 -10.999 -6.654 1.00 25.13 H new ATOM 0 HB3 PRO A 89 72.394 -11.748 -8.237 1.00 25.13 H new ATOM 0 HG2 PRO A 89 72.296 -8.963 -7.702 1.00 40.51 H new ATOM 0 HG3 PRO A 89 72.116 -9.724 -9.270 1.00 40.51 H new ATOM 0 HD2 PRO A 89 69.997 -8.690 -7.426 1.00 22.11 H new ATOM 0 HD3 PRO A 89 69.992 -8.779 -9.177 1.00 22.11 H new ATOM 1392 N SER A 90 69.131 -10.581 -5.558 1.00 72.45 N ATOM 1393 CA SER A 90 68.598 -10.434 -4.215 1.00 0.12 C ATOM 1394 C SER A 90 67.272 -9.696 -4.284 1.00 72.25 C ATOM 1395 O SER A 90 67.170 -8.665 -4.953 1.00 42.34 O ATOM 1396 CB SER A 90 69.609 -9.733 -3.296 1.00 14.22 C ATOM 1397 OG SER A 90 70.208 -8.608 -3.936 1.00 32.43 O ATOM 0 H SER A 90 68.781 -9.880 -6.211 1.00 72.45 H new ATOM 0 HA SER A 90 68.420 -11.418 -3.780 1.00 0.12 H new ATOM 0 HB2 SER A 90 69.109 -9.409 -2.383 1.00 14.22 H new ATOM 0 HB3 SER A 90 70.384 -10.440 -3.001 1.00 14.22 H new ATOM 0 HG SER A 90 70.845 -8.184 -3.323 1.00 32.43 H new ATOM 1403 N PHE A 91 66.271 -10.189 -3.593 1.00 22.52 N ATOM 1404 CA PHE A 91 64.942 -9.684 -3.766 1.00 23.10 C ATOM 1405 C PHE A 91 64.388 -9.045 -2.503 1.00 42.12 C ATOM 1406 O PHE A 91 64.835 -9.329 -1.378 1.00 74.32 O ATOM 1407 CB PHE A 91 63.985 -10.746 -4.363 1.00 64.21 C ATOM 1408 CG PHE A 91 63.452 -11.839 -3.450 1.00 51.33 C ATOM 1409 CD1 PHE A 91 64.157 -13.017 -3.217 1.00 11.25 C ATOM 1410 CD2 PHE A 91 62.199 -11.700 -2.870 1.00 4.31 C ATOM 1411 CE1 PHE A 91 63.620 -14.005 -2.426 1.00 2.33 C ATOM 1412 CE2 PHE A 91 61.664 -12.695 -2.086 1.00 61.22 C ATOM 1413 CZ PHE A 91 62.374 -13.848 -1.862 1.00 72.40 C ATOM 0 H PHE A 91 66.358 -10.939 -2.907 1.00 22.52 H new ATOM 0 HA PHE A 91 65.012 -8.882 -4.501 1.00 23.10 H new ATOM 0 HB2 PHE A 91 63.129 -10.220 -4.785 1.00 64.21 H new ATOM 0 HB3 PHE A 91 64.502 -11.230 -5.192 1.00 64.21 H new ATOM 0 HD1 PHE A 91 65.132 -13.155 -3.661 1.00 11.25 H new ATOM 0 HD2 PHE A 91 61.634 -10.795 -3.037 1.00 4.31 H new ATOM 0 HE1 PHE A 91 64.180 -14.911 -2.246 1.00 2.33 H new ATOM 0 HE2 PHE A 91 60.685 -12.569 -1.647 1.00 61.22 H new ATOM 0 HZ PHE A 91 61.956 -14.630 -1.245 1.00 72.40 H new ATOM 1423 N SER A 92 63.426 -8.186 -2.702 1.00 13.21 N ATOM 1424 CA SER A 92 62.853 -7.421 -1.651 1.00 63.42 C ATOM 1425 C SER A 92 61.459 -7.908 -1.326 1.00 12.35 C ATOM 1426 O SER A 92 60.533 -7.781 -2.138 1.00 65.40 O ATOM 1427 CB SER A 92 62.862 -5.944 -2.057 1.00 64.34 C ATOM 1428 OG SER A 92 62.314 -5.775 -3.363 1.00 72.34 O ATOM 0 H SER A 92 63.018 -8.002 -3.618 1.00 13.21 H new ATOM 0 HA SER A 92 63.443 -7.540 -0.742 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.287 -5.361 -1.338 1.00 64.34 H new ATOM 0 HB3 SER A 92 63.883 -5.562 -2.034 1.00 64.34 H new ATOM 0 HG SER A 92 62.327 -4.825 -3.603 1.00 72.34 H new ATOM 1434 N VAL A 93 61.308 -8.464 -0.142 1.00 15.21 N ATOM 1435 CA VAL A 93 60.025 -8.996 0.310 1.00 44.32 C ATOM 1436 C VAL A 93 59.014 -7.910 0.636 1.00 70.53 C ATOM 1437 O VAL A 93 57.852 -8.202 0.882 1.00 62.34 O ATOM 1438 CB VAL A 93 60.180 -9.918 1.517 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.876 -11.181 1.112 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.967 -9.226 2.608 1.00 71.25 C ATOM 0 H VAL A 93 62.063 -8.563 0.537 1.00 15.21 H new ATOM 0 HA VAL A 93 59.644 -9.572 -0.533 1.00 44.32 H new ATOM 0 HB VAL A 93 59.189 -10.163 1.898 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.982 -11.832 1.980 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.291 -11.689 0.346 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.863 -10.942 0.715 1.00 62.31 H new ATOM 0 HG21 VAL A 93 61.070 -9.895 3.463 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.956 -8.963 2.232 1.00 71.25 H new ATOM 0 HG23 VAL A 93 60.443 -8.321 2.916 1.00 71.25 H new ATOM 1450 N LYS A 94 59.470 -6.661 0.676 1.00 25.30 N ATOM 1451 CA LYS A 94 58.592 -5.522 0.884 1.00 34.12 C ATOM 1452 C LYS A 94 57.722 -5.240 -0.327 1.00 43.13 C ATOM 1453 O LYS A 94 56.837 -4.387 -0.275 1.00 62.22 O ATOM 1454 CB LYS A 94 59.394 -4.299 1.290 1.00 44.32 C ATOM 1455 CG LYS A 94 60.020 -4.443 2.653 1.00 11.41 C ATOM 1456 CD LYS A 94 58.954 -4.443 3.722 1.00 61.24 C ATOM 1457 CE LYS A 94 59.514 -4.841 5.050 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.526 -4.665 6.128 1.00 40.32 N ATOM 0 H LYS A 94 60.454 -6.415 0.565 1.00 25.30 H new ATOM 0 HA LYS A 94 57.915 -5.774 1.700 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.176 -4.121 0.552 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.744 -3.424 1.283 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.593 -5.369 2.701 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.720 -3.626 2.828 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.510 -3.450 3.795 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.155 -5.130 3.442 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.833 -5.883 5.014 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.400 -4.244 5.266 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.947 -4.950 7.035 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.241 -3.666 6.178 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.691 -5.254 5.934 1.00 40.32 H new ATOM 1472 N GLU A 95 57.972 -5.937 -1.410 1.00 41.22 N ATOM 1473 CA GLU A 95 57.122 -5.828 -2.552 1.00 25.25 C ATOM 1474 C GLU A 95 55.913 -6.723 -2.362 1.00 44.21 C ATOM 1475 O GLU A 95 56.014 -7.762 -1.755 1.00 11.24 O ATOM 1476 CB GLU A 95 57.862 -6.248 -3.812 1.00 62.12 C ATOM 1477 CG GLU A 95 59.019 -5.353 -4.169 1.00 1.24 C ATOM 1478 CD GLU A 95 58.601 -3.916 -4.311 1.00 20.02 C ATOM 1479 OE1 GLU A 95 57.873 -3.585 -5.271 1.00 30.24 O ATOM 1480 OE2 GLU A 95 59.013 -3.093 -3.485 1.00 35.23 O ATOM 0 H GLU A 95 58.756 -6.581 -1.516 1.00 41.22 H new ATOM 0 HA GLU A 95 56.808 -4.789 -2.658 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.230 -7.266 -3.683 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.159 -6.266 -4.645 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.788 -5.432 -3.401 1.00 1.24 H new ATOM 0 HG3 GLU A 95 59.466 -5.694 -5.103 1.00 1.24 H new ATOM 1487 N HIS A 96 54.772 -6.255 -2.747 1.00 61.03 N ATOM 1488 CA HIS A 96 53.585 -7.087 -2.810 1.00 22.11 C ATOM 1489 C HIS A 96 53.449 -7.713 -4.179 1.00 24.20 C ATOM 1490 O HIS A 96 53.502 -8.935 -4.329 1.00 4.12 O ATOM 1491 CB HIS A 96 52.298 -6.348 -2.427 1.00 0.11 C ATOM 1492 CG HIS A 96 52.021 -6.287 -0.957 1.00 4.44 C ATOM 1493 ND1 HIS A 96 51.060 -7.068 -0.348 1.00 0.33 N ATOM 1494 CD2 HIS A 96 52.543 -5.517 0.018 1.00 64.43 C ATOM 1495 CE1 HIS A 96 50.995 -6.782 0.925 1.00 53.21 C ATOM 1496 NE2 HIS A 96 51.886 -5.841 1.189 1.00 71.43 N ATOM 0 H HIS A 96 54.621 -5.287 -3.030 1.00 61.03 H new ATOM 0 HA HIS A 96 53.721 -7.869 -2.063 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.351 -5.331 -2.815 1.00 0.11 H new ATOM 0 HB3 HIS A 96 51.456 -6.834 -2.921 1.00 0.11 H new ATOM 0 HD2 HIS A 96 53.328 -4.784 -0.095 1.00 64.43 H new ATOM 0 HE1 HIS A 96 50.327 -7.237 1.641 1.00 53.21 H new ATOM 0 HE2 HIS A 96 52.059 -5.424 2.104 1.00 71.43 H new ATOM 1504 N ARG A 97 53.324 -6.849 -5.194 1.00 61.45 N ATOM 1505 CA ARG A 97 53.080 -7.273 -6.576 1.00 2.00 C ATOM 1506 C ARG A 97 54.147 -8.180 -7.106 1.00 60.51 C ATOM 1507 O ARG A 97 53.838 -9.195 -7.699 1.00 63.44 O ATOM 1508 CB ARG A 97 52.885 -6.098 -7.524 1.00 25.22 C ATOM 1509 CG ARG A 97 51.657 -5.273 -7.245 1.00 31.52 C ATOM 1510 CD ARG A 97 51.454 -4.229 -8.318 1.00 61.22 C ATOM 1511 NE ARG A 97 50.248 -3.438 -8.088 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.421 -3.014 -9.048 1.00 35.43 C ATOM 1513 NH1 ARG A 97 49.665 -3.311 -10.325 1.00 32.04 N ATOM 1514 NH2 ARG A 97 48.352 -2.298 -8.732 1.00 50.15 N ATOM 0 H ARG A 97 53.389 -5.838 -5.079 1.00 61.45 H new ATOM 0 HA ARG A 97 52.149 -7.838 -6.534 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.762 -5.453 -7.469 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.830 -6.475 -8.545 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.782 -5.921 -7.193 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.753 -4.788 -6.274 1.00 31.52 H new ATOM 0 HD2 ARG A 97 52.321 -3.569 -8.350 1.00 61.22 H new ATOM 0 HD3 ARG A 97 51.388 -4.716 -9.291 1.00 61.22 H new ATOM 0 HE ARG A 97 50.021 -3.191 -7.125 1.00 52.14 H new ATOM 0 HH11 ARG A 97 50.486 -3.864 -10.572 1.00 32.04 H new ATOM 0 HH12 ARG A 97 49.031 -2.985 -11.055 1.00 32.04 H new ATOM 0 HH21 ARG A 97 48.161 -2.071 -7.756 1.00 50.15 H new ATOM 0 HH22 ARG A 97 47.720 -1.974 -9.464 1.00 50.15 H new ATOM 1528 N LYS A 98 55.401 -7.840 -6.855 1.00 3.30 N ATOM 1529 CA LYS A 98 56.519 -8.664 -7.333 1.00 1.24 C ATOM 1530 C LYS A 98 56.522 -10.056 -6.746 1.00 33.20 C ATOM 1531 O LYS A 98 57.102 -10.951 -7.321 1.00 63.32 O ATOM 1532 CB LYS A 98 57.878 -7.984 -7.156 1.00 62.12 C ATOM 1533 CG LYS A 98 58.424 -7.290 -8.420 1.00 4.31 C ATOM 1534 CD LYS A 98 57.493 -6.216 -8.977 1.00 4.22 C ATOM 1535 CE LYS A 98 57.349 -5.044 -8.029 1.00 21.35 C ATOM 1536 NZ LYS A 98 58.619 -4.320 -7.808 1.00 63.10 N ATOM 0 H LYS A 98 55.677 -7.010 -6.330 1.00 3.30 H new ATOM 0 HA LYS A 98 56.352 -8.773 -8.405 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.797 -7.245 -6.359 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.602 -8.730 -6.827 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.389 -6.839 -8.189 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.600 -8.041 -9.190 1.00 4.31 H new ATOM 0 HD2 LYS A 98 57.878 -5.863 -9.934 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.512 -6.650 -9.168 1.00 4.22 H new ATOM 0 HE2 LYS A 98 56.607 -4.352 -8.426 1.00 21.35 H new ATOM 0 HE3 LYS A 98 56.970 -5.402 -7.072 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 58.544 -3.742 -6.947 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 59.394 -5.004 -7.699 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 58.814 -3.704 -8.623 1.00 63.10 H new ATOM 1550 N ILE A 99 55.855 -10.244 -5.623 1.00 54.20 N ATOM 1551 CA ILE A 99 55.767 -11.563 -5.035 1.00 3.41 C ATOM 1552 C ILE A 99 54.680 -12.323 -5.763 1.00 32.52 C ATOM 1553 O ILE A 99 54.867 -13.465 -6.164 1.00 34.24 O ATOM 1554 CB ILE A 99 55.406 -11.527 -3.532 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.243 -10.494 -2.770 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.544 -12.909 -2.902 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.744 -10.565 -2.955 1.00 13.25 C ATOM 0 H ILE A 99 55.372 -9.509 -5.106 1.00 54.20 H new ATOM 0 HA ILE A 99 56.744 -12.037 -5.128 1.00 3.41 H new ATOM 0 HB ILE A 99 54.363 -11.221 -3.458 1.00 74.14 H new ATOM 0 HG12 ILE A 99 55.910 -9.500 -3.068 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.026 -10.598 -1.707 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.284 -12.855 -1.845 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.874 -13.607 -3.405 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.572 -13.255 -3.005 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.221 -9.783 -2.365 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.105 -11.539 -2.626 1.00 13.25 H new ATOM 0 HD13 ILE A 99 57.988 -10.424 -4.008 1.00 13.25 H new ATOM 1569 N TYR A 100 53.553 -11.649 -5.972 1.00 43.11 N ATOM 1570 CA TYR A 100 52.403 -12.248 -6.648 1.00 15.13 C ATOM 1571 C TYR A 100 52.792 -12.685 -8.047 1.00 34.44 C ATOM 1572 O TYR A 100 52.498 -13.810 -8.464 1.00 3.54 O ATOM 1573 CB TYR A 100 51.224 -11.274 -6.766 1.00 21.14 C ATOM 1574 CG TYR A 100 50.795 -10.583 -5.487 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.819 -11.229 -4.260 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.352 -9.274 -5.525 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.415 -10.584 -3.112 1.00 62.13 C ATOM 1578 CE2 TYR A 100 49.948 -8.622 -4.391 1.00 71.11 C ATOM 1579 CZ TYR A 100 49.980 -9.272 -3.185 1.00 51.34 C ATOM 1580 OH TYR A 100 49.571 -8.607 -2.050 1.00 40.22 O ATOM 0 H TYR A 100 53.410 -10.682 -5.682 1.00 43.11 H new ATOM 0 HA TYR A 100 52.094 -13.100 -6.043 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.484 -10.509 -7.498 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.368 -11.819 -7.164 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.159 -12.252 -4.204 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.324 -8.754 -6.471 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.437 -11.098 -2.162 1.00 62.13 H new ATOM 0 HE2 TYR A 100 49.605 -7.599 -4.447 1.00 71.11 H new ATOM 0 HH TYR A 100 50.350 -8.220 -1.599 1.00 40.22 H new ATOM 1590 N THR A 101 53.499 -11.817 -8.737 1.00 71.31 N ATOM 1591 CA THR A 101 53.897 -12.064 -10.100 1.00 4.12 C ATOM 1592 C THR A 101 55.009 -13.103 -10.195 1.00 22.22 C ATOM 1593 O THR A 101 55.097 -13.833 -11.162 1.00 14.53 O ATOM 1594 CB THR A 101 54.273 -10.760 -10.838 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.197 -9.986 -10.048 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.027 -9.936 -11.122 1.00 55.24 C ATOM 0 H THR A 101 53.813 -10.920 -8.366 1.00 71.31 H new ATOM 0 HA THR A 101 53.027 -12.481 -10.607 1.00 4.12 H new ATOM 0 HB THR A 101 54.748 -11.024 -11.783 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.720 -9.574 -9.297 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.307 -9.020 -11.642 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.344 -10.513 -11.745 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.536 -9.684 -10.182 1.00 55.24 H new ATOM 1604 N MET A 102 55.811 -13.189 -9.153 1.00 34.35 N ATOM 1605 CA MET A 102 56.901 -14.169 -9.042 1.00 63.42 C ATOM 1606 C MET A 102 56.299 -15.580 -9.036 1.00 13.22 C ATOM 1607 O MET A 102 56.837 -16.528 -9.634 1.00 73.13 O ATOM 1608 CB MET A 102 57.618 -13.908 -7.720 1.00 43.15 C ATOM 1609 CG MET A 102 58.891 -14.678 -7.458 1.00 11.42 C ATOM 1610 SD MET A 102 59.561 -14.311 -5.812 1.00 45.04 S ATOM 1611 CE MET A 102 59.665 -12.510 -5.856 1.00 54.24 C ATOM 0 H MET A 102 55.732 -12.576 -8.341 1.00 34.35 H new ATOM 0 HA MET A 102 57.598 -14.083 -9.876 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.850 -12.844 -7.667 1.00 43.15 H new ATOM 0 HB3 MET A 102 56.921 -14.123 -6.910 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.695 -15.747 -7.543 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.632 -14.429 -8.218 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.352 -12.166 -5.082 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.029 -12.190 -6.832 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.677 -12.084 -5.680 1.00 54.24 H new ATOM 1621 N ILE A 103 55.152 -15.676 -8.401 1.00 3.21 N ATOM 1622 CA ILE A 103 54.421 -16.911 -8.264 1.00 52.20 C ATOM 1623 C ILE A 103 53.628 -17.169 -9.543 1.00 5.52 C ATOM 1624 O ILE A 103 53.671 -18.261 -10.119 1.00 70.30 O ATOM 1625 CB ILE A 103 53.442 -16.811 -7.058 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.221 -16.517 -5.767 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.629 -18.095 -6.911 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.361 -16.114 -4.589 1.00 2.12 C ATOM 0 H ILE A 103 54.694 -14.880 -7.957 1.00 3.21 H new ATOM 0 HA ILE A 103 55.119 -17.730 -8.092 1.00 52.20 H new ATOM 0 HB ILE A 103 52.749 -15.991 -7.244 1.00 14.12 H new ATOM 0 HG12 ILE A 103 54.795 -17.403 -5.495 1.00 12.42 H new ATOM 0 HG13 ILE A 103 54.939 -15.721 -5.965 1.00 12.42 H new ATOM 0 HG21 ILE A 103 51.952 -18.002 -6.062 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.051 -18.266 -7.819 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.303 -18.936 -6.747 1.00 5.55 H new ATOM 0 HD11 ILE A 103 53.995 -15.926 -3.723 1.00 2.12 H new ATOM 0 HD12 ILE A 103 52.807 -15.208 -4.836 1.00 2.12 H new ATOM 0 HD13 ILE A 103 52.660 -16.917 -4.359 1.00 2.12 H new ATOM 1640 N TYR A 104 52.955 -16.137 -9.989 1.00 40.11 N ATOM 1641 CA TYR A 104 52.106 -16.156 -11.163 1.00 44.15 C ATOM 1642 C TYR A 104 52.872 -16.464 -12.457 1.00 13.14 C ATOM 1643 O TYR A 104 52.349 -17.115 -13.366 1.00 40.12 O ATOM 1644 CB TYR A 104 51.314 -14.840 -11.214 1.00 10.23 C ATOM 1645 CG TYR A 104 51.120 -14.223 -12.564 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.068 -13.350 -13.053 1.00 54.33 C ATOM 1647 CD2 TYR A 104 49.998 -14.485 -13.331 1.00 23.41 C ATOM 1648 CE1 TYR A 104 51.914 -12.742 -14.270 1.00 5.31 C ATOM 1649 CE2 TYR A 104 49.832 -13.886 -14.563 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.795 -13.013 -15.026 1.00 60.51 C ATOM 1651 OH TYR A 104 50.633 -12.401 -16.243 1.00 1.15 O ATOM 0 H TYR A 104 52.982 -15.226 -9.531 1.00 40.11 H new ATOM 0 HA TYR A 104 51.401 -16.983 -11.081 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.331 -15.017 -10.777 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.820 -14.114 -10.578 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.949 -13.142 -12.465 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.245 -15.165 -12.961 1.00 23.41 H new ATOM 0 HE1 TYR A 104 52.664 -12.055 -14.634 1.00 5.31 H new ATOM 0 HE2 TYR A 104 48.957 -14.098 -15.159 1.00 54.14 H new ATOM 0 HH TYR A 104 49.793 -12.700 -16.650 1.00 1.15 H new ATOM 1661 N ARG A 105 54.107 -16.021 -12.519 1.00 53.53 N ATOM 1662 CA ARG A 105 54.972 -16.244 -13.670 1.00 5.51 C ATOM 1663 C ARG A 105 55.331 -17.726 -13.789 1.00 13.24 C ATOM 1664 O ARG A 105 55.700 -18.209 -14.853 1.00 2.23 O ATOM 1665 CB ARG A 105 56.232 -15.384 -13.523 1.00 24.32 C ATOM 1666 CG ARG A 105 57.190 -15.413 -14.694 1.00 13.52 C ATOM 1667 CD ARG A 105 58.297 -14.400 -14.488 1.00 62.13 C ATOM 1668 NE ARG A 105 59.201 -14.309 -15.634 1.00 23.52 N ATOM 1669 CZ ARG A 105 59.899 -13.212 -15.964 1.00 63.44 C ATOM 1670 NH1 ARG A 105 59.799 -12.107 -15.230 1.00 4.40 N ATOM 1671 NH2 ARG A 105 60.703 -13.227 -17.025 1.00 43.11 N ATOM 0 H ARG A 105 54.549 -15.490 -11.769 1.00 53.53 H new ATOM 0 HA ARG A 105 54.449 -15.956 -14.582 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.926 -14.352 -13.353 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.768 -15.708 -12.631 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.615 -16.411 -14.801 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.654 -15.194 -15.618 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.857 -13.421 -14.299 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.869 -14.669 -13.600 1.00 62.13 H new ATOM 0 HE ARG A 105 59.308 -15.135 -16.222 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.190 -12.091 -14.412 1.00 4.40 H new ATOM 0 HH12 ARG A 105 60.332 -11.275 -15.485 1.00 4.40 H new ATOM 0 HH21 ARG A 105 60.789 -14.073 -17.588 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.233 -12.392 -17.275 1.00 43.11 H new ATOM 1685 N ASN A 106 55.167 -18.441 -12.705 1.00 14.40 N ATOM 1686 CA ASN A 106 55.510 -19.850 -12.661 1.00 75.13 C ATOM 1687 C ASN A 106 54.309 -20.754 -12.731 1.00 64.35 C ATOM 1688 O ASN A 106 54.452 -21.932 -13.024 1.00 43.10 O ATOM 1689 CB ASN A 106 56.330 -20.189 -11.420 1.00 32.11 C ATOM 1690 CG ASN A 106 57.791 -19.871 -11.573 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.567 -20.714 -12.004 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.194 -18.687 -11.207 1.00 61.11 N ATOM 0 H ASN A 106 54.795 -18.071 -11.830 1.00 14.40 H new ATOM 0 HA ASN A 106 56.111 -20.029 -13.552 1.00 75.13 H new ATOM 0 HB2 ASN A 106 55.932 -19.639 -10.567 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.217 -21.250 -11.196 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.181 -18.441 -11.276 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.522 -18.007 -10.852 1.00 61.11 H new ATOM 1699 N LEU A 107 53.134 -20.230 -12.461 1.00 34.24 N ATOM 1700 CA LEU A 107 51.942 -21.060 -12.452 1.00 22.31 C ATOM 1701 C LEU A 107 51.397 -21.242 -13.854 1.00 22.33 C ATOM 1702 O LEU A 107 51.883 -20.624 -14.811 1.00 3.21 O ATOM 1703 CB LEU A 107 50.876 -20.517 -11.457 1.00 10.31 C ATOM 1704 CG LEU A 107 50.282 -19.124 -11.718 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.204 -19.143 -12.773 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.762 -18.505 -10.453 1.00 33.10 C ATOM 0 H LEU A 107 52.975 -19.246 -12.247 1.00 34.24 H new ATOM 0 HA LEU A 107 52.219 -22.050 -12.091 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.052 -21.230 -11.430 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.323 -20.508 -10.463 1.00 10.31 H new ATOM 0 HG LEU A 107 51.099 -18.510 -12.097 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.819 -18.134 -12.918 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.619 -19.511 -13.711 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.394 -19.798 -12.453 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.349 -17.521 -10.673 1.00 33.10 H new ATOM 0 HD22 LEU A 107 48.983 -19.140 -10.031 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.576 -18.405 -9.736 1.00 33.10 H new ATOM 1718 N VAL A 108 50.391 -22.055 -13.979 1.00 63.11 N ATOM 1719 CA VAL A 108 49.822 -22.339 -15.272 1.00 1.01 C ATOM 1720 C VAL A 108 48.643 -21.426 -15.542 1.00 71.42 C ATOM 1721 O VAL A 108 47.654 -21.441 -14.805 1.00 31.43 O ATOM 1722 CB VAL A 108 49.366 -23.821 -15.409 1.00 35.03 C ATOM 1723 CG1 VAL A 108 48.780 -24.084 -16.785 1.00 45.42 C ATOM 1724 CG2 VAL A 108 50.517 -24.768 -15.160 1.00 72.10 C ATOM 0 H VAL A 108 49.942 -22.538 -13.200 1.00 63.11 H new ATOM 0 HA VAL A 108 50.608 -22.162 -16.006 1.00 1.01 H new ATOM 0 HB VAL A 108 48.596 -23.996 -14.657 1.00 35.03 H new ATOM 0 HG11 VAL A 108 48.469 -25.126 -16.855 1.00 45.42 H new ATOM 0 HG12 VAL A 108 47.917 -23.437 -16.943 1.00 45.42 H new ATOM 0 HG13 VAL A 108 49.532 -23.878 -17.546 1.00 45.42 H new ATOM 0 HG21 VAL A 108 50.171 -25.796 -15.262 1.00 72.10 H new ATOM 0 HG22 VAL A 108 51.308 -24.578 -15.885 1.00 72.10 H new ATOM 0 HG23 VAL A 108 50.904 -24.614 -14.153 1.00 72.10 H new ATOM 1794 N THR B 305 60.406 -8.757 11.207 1.00 33.52 N ATOM 1795 CA THR B 305 61.280 -9.841 10.862 1.00 3.31 C ATOM 1796 C THR B 305 60.690 -10.661 9.707 1.00 54.44 C ATOM 1797 O THR B 305 59.458 -10.640 9.480 1.00 34.54 O ATOM 1798 CB THR B 305 61.614 -10.743 12.086 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.676 -11.642 11.748 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.402 -11.555 12.528 1.00 31.13 C ATOM 0 HA THR B 305 62.223 -9.407 10.530 1.00 3.31 H new ATOM 0 HB THR B 305 61.914 -10.092 12.907 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.309 -12.422 11.281 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.671 -12.173 13.384 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.594 -10.879 12.808 1.00 31.13 H new ATOM 0 HG23 THR B 305 60.073 -12.194 11.708 1.00 31.13 H new ATOM 1808 N PHE B 306 61.565 -11.405 9.026 1.00 23.43 N ATOM 1809 CA PHE B 306 61.258 -12.154 7.805 1.00 31.21 C ATOM 1810 C PHE B 306 60.041 -13.060 7.967 1.00 61.12 C ATOM 1811 O PHE B 306 59.107 -13.006 7.159 1.00 3.43 O ATOM 1812 CB PHE B 306 62.485 -12.969 7.364 1.00 53.41 C ATOM 1813 CG PHE B 306 62.292 -13.679 6.062 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.271 -12.968 4.887 1.00 73.14 C ATOM 1815 CD2 PHE B 306 62.126 -15.054 6.011 1.00 42.23 C ATOM 1816 CE1 PHE B 306 62.086 -13.600 3.690 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.942 -15.690 4.804 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.920 -14.959 3.646 1.00 41.22 C ATOM 0 H PHE B 306 62.537 -11.506 9.318 1.00 23.43 H new ATOM 0 HA PHE B 306 61.009 -11.428 7.031 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.344 -12.303 7.282 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.722 -13.701 8.136 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.402 -11.896 4.910 1.00 73.14 H new ATOM 0 HD2 PHE B 306 62.141 -15.630 6.924 1.00 42.23 H new ATOM 0 HE1 PHE B 306 62.071 -13.026 2.775 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.815 -16.762 4.770 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.772 -15.454 2.698 1.00 41.22 H new ATOM 1828 N GLU B 307 60.051 -13.847 9.031 1.00 22.24 N ATOM 1829 CA GLU B 307 58.980 -14.791 9.369 1.00 73.43 C ATOM 1830 C GLU B 307 57.604 -14.126 9.327 1.00 33.30 C ATOM 1831 O GLU B 307 56.634 -14.689 8.802 1.00 31.35 O ATOM 1832 CB GLU B 307 59.211 -15.310 10.791 1.00 34.14 C ATOM 1833 CG GLU B 307 58.127 -16.238 11.304 1.00 23.45 C ATOM 1834 CD GLU B 307 58.236 -16.478 12.779 1.00 64.23 C ATOM 1835 OE1 GLU B 307 57.796 -15.606 13.561 1.00 53.15 O ATOM 1836 OE2 GLU B 307 58.738 -17.542 13.192 1.00 13.13 O ATOM 0 H GLU B 307 60.818 -13.853 9.703 1.00 22.24 H new ATOM 0 HA GLU B 307 59.001 -15.598 8.637 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.166 -15.835 10.822 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.293 -14.458 11.467 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.150 -15.811 11.079 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.188 -17.190 10.778 1.00 23.45 H new ATOM 1843 N HIS B 308 57.548 -12.917 9.825 1.00 4.31 N ATOM 1844 CA HIS B 308 56.301 -12.238 10.020 1.00 63.23 C ATOM 1845 C HIS B 308 55.911 -11.490 8.764 1.00 43.42 C ATOM 1846 O HIS B 308 54.807 -11.628 8.278 1.00 4.03 O ATOM 1847 CB HIS B 308 56.443 -11.250 11.172 1.00 63.24 C ATOM 1848 CG HIS B 308 55.150 -10.846 11.835 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.988 -10.866 13.201 1.00 22.21 N ATOM 1850 CD2 HIS B 308 53.986 -10.358 11.329 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.795 -10.417 13.513 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.159 -10.095 12.395 1.00 65.13 N ATOM 0 H HIS B 308 58.368 -12.379 10.105 1.00 4.31 H new ATOM 0 HA HIS B 308 55.528 -12.971 10.251 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.098 -11.687 11.926 1.00 63.24 H new ATOM 0 HB3 HIS B 308 56.938 -10.353 10.801 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.755 -10.206 10.285 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.398 -10.325 14.513 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.214 -9.716 12.336 1.00 65.13 H new ATOM 1860 N LEU B 309 56.836 -10.731 8.224 1.00 64.14 N ATOM 1861 CA LEU B 309 56.551 -9.851 7.098 1.00 52.01 C ATOM 1862 C LEU B 309 56.157 -10.592 5.812 1.00 42.30 C ATOM 1863 O LEU B 309 55.385 -10.085 5.005 1.00 13.44 O ATOM 1864 CB LEU B 309 57.708 -8.841 6.881 1.00 30.00 C ATOM 1865 CG LEU B 309 59.147 -9.387 6.721 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.338 -10.156 5.441 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.153 -8.268 6.812 1.00 12.40 C ATOM 0 H LEU B 309 57.804 -10.701 8.545 1.00 64.14 H new ATOM 0 HA LEU B 309 55.659 -9.284 7.365 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.475 -8.257 5.991 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.708 -8.151 7.725 1.00 30.00 H new ATOM 0 HG LEU B 309 59.309 -10.086 7.542 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.365 -10.515 5.382 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.655 -11.005 5.421 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.132 -9.505 4.591 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.159 -8.673 6.697 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.962 -7.542 6.022 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.067 -7.780 7.783 1.00 12.40 H new ATOM 1879 N TRP B 310 56.648 -11.792 5.659 1.00 43.14 N ATOM 1880 CA TRP B 310 56.427 -12.566 4.462 1.00 14.01 C ATOM 1881 C TRP B 310 55.069 -13.235 4.518 1.00 31.23 C ATOM 1882 O TRP B 310 54.325 -13.238 3.552 1.00 14.12 O ATOM 1883 CB TRP B 310 57.568 -13.585 4.305 1.00 43.11 C ATOM 1884 CG TRP B 310 57.395 -14.570 3.196 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.949 -15.837 3.320 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.669 -14.378 1.807 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.919 -16.451 2.104 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.355 -15.581 1.154 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.141 -13.310 1.055 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.504 -15.747 -0.215 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.289 -13.475 -0.308 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.971 -14.684 -0.930 1.00 52.42 C ATOM 0 H TRP B 310 57.215 -12.265 6.363 1.00 43.14 H new ATOM 0 HA TRP B 310 56.428 -11.916 3.587 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.499 -13.041 4.144 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.676 -14.132 5.241 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.657 -16.299 4.251 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.618 -17.410 1.933 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.387 -12.370 1.526 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.259 -16.682 -0.696 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.658 -12.653 -0.904 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.097 -14.779 -1.998 1.00 52.42 H new ATOM 1903 N SER B 311 54.719 -13.709 5.680 1.00 14.42 N ATOM 1904 CA SER B 311 53.492 -14.422 5.869 1.00 14.14 C ATOM 1905 C SER B 311 52.306 -13.465 5.973 1.00 41.41 C ATOM 1906 O SER B 311 51.156 -13.882 5.965 1.00 31.14 O ATOM 1907 CB SER B 311 53.625 -15.270 7.118 1.00 42.43 C ATOM 1908 OG SER B 311 54.001 -14.466 8.231 1.00 14.24 O ATOM 0 H SER B 311 55.281 -13.610 6.526 1.00 14.42 H new ATOM 0 HA SER B 311 53.301 -15.062 5.008 1.00 14.14 H new ATOM 0 HB2 SER B 311 52.679 -15.771 7.327 1.00 42.43 H new ATOM 0 HB3 SER B 311 54.370 -16.050 6.957 1.00 42.43 H new ATOM 0 HG SER B 311 54.965 -14.551 8.385 1.00 14.24 H new ATOM 1914 N SER B 312 52.605 -12.186 6.027 1.00 1.11 N ATOM 1915 CA SER B 312 51.605 -11.176 6.212 1.00 11.44 C ATOM 1916 C SER B 312 51.408 -10.338 4.953 1.00 60.40 C ATOM 1917 O SER B 312 50.742 -9.300 4.995 1.00 41.34 O ATOM 1918 CB SER B 312 52.032 -10.280 7.363 1.00 21.31 C ATOM 1919 OG SER B 312 52.250 -11.046 8.536 1.00 22.34 O ATOM 0 H SER B 312 53.554 -11.823 5.943 1.00 1.11 H new ATOM 0 HA SER B 312 50.655 -11.662 6.433 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.944 -9.746 7.096 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.265 -9.528 7.550 1.00 21.31 H new ATOM 0 HG SER B 312 53.185 -11.337 8.568 1.00 22.34 H new ATOM 1925 N LEU B 313 51.924 -10.789 3.811 1.00 4.23 N ATOM 1926 CA LEU B 313 51.788 -9.963 2.610 1.00 14.51 C ATOM 1927 C LEU B 313 50.551 -10.397 1.817 1.00 52.23 C ATOM 1928 O LEU B 313 50.297 -9.961 0.700 1.00 52.02 O ATOM 1929 CB LEU B 313 53.117 -9.917 1.790 1.00 61.41 C ATOM 1930 CG LEU B 313 53.620 -11.191 1.101 1.00 1.40 C ATOM 1931 CD1 LEU B 313 52.834 -11.484 -0.162 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.103 -11.082 0.807 1.00 23.23 C ATOM 0 H LEU B 313 52.416 -11.674 3.690 1.00 4.23 H new ATOM 0 HA LEU B 313 51.615 -8.924 2.892 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.001 -9.153 1.021 1.00 61.41 H new ATOM 0 HB3 LEU B 313 53.904 -9.576 2.462 1.00 61.41 H new ATOM 0 HG LEU B 313 53.464 -12.028 1.782 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.216 -12.393 -0.626 1.00 73.31 H new ATOM 0 HD12 LEU B 313 51.781 -11.619 0.087 1.00 73.31 H new ATOM 0 HD13 LEU B 313 52.939 -10.651 -0.857 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.445 -11.994 0.318 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.282 -10.230 0.152 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.650 -10.944 1.740 1.00 23.23 H new ATOM 1944 N GLU B 314 49.766 -11.186 2.497 1.00 50.02 N ATOM 1945 CA GLU B 314 48.531 -11.767 2.029 1.00 22.11 C ATOM 1946 C GLU B 314 47.461 -10.667 1.841 1.00 24.03 C ATOM 1947 O GLU B 314 47.555 -9.587 2.441 1.00 52.11 O ATOM 1948 CB GLU B 314 48.045 -12.744 3.114 1.00 41.12 C ATOM 1949 CG GLU B 314 47.726 -12.033 4.425 1.00 31.33 C ATOM 1950 CD GLU B 314 47.277 -12.944 5.525 1.00 73.45 C ATOM 1951 OE1 GLU B 314 46.172 -13.485 5.438 1.00 13.23 O ATOM 1952 OE2 GLU B 314 48.011 -13.129 6.499 1.00 40.53 O ATOM 0 H GLU B 314 49.983 -11.460 3.455 1.00 50.02 H new ATOM 0 HA GLU B 314 48.691 -12.270 1.075 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.156 -13.266 2.759 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.810 -13.500 3.289 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.612 -11.491 4.756 1.00 31.33 H new ATOM 0 HG3 GLU B 314 46.948 -11.291 4.243 1.00 31.33 H new ATOM 1959 N PRO B 315 46.450 -10.919 1.003 1.00 10.45 N ATOM 1960 CA PRO B 315 45.380 -9.968 0.773 1.00 54.32 C ATOM 1961 C PRO B 315 44.305 -9.979 1.876 1.00 3.22 C ATOM 1962 O PRO B 315 44.175 -9.012 2.632 1.00 2.51 O ATOM 1963 CB PRO B 315 44.804 -10.389 -0.582 1.00 25.23 C ATOM 1964 CG PRO B 315 45.161 -11.839 -0.749 1.00 44.42 C ATOM 1965 CD PRO B 315 46.303 -12.140 0.187 1.00 62.12 C ATOM 0 HA PRO B 315 45.748 -8.942 0.784 1.00 54.32 H new ATOM 0 HB2 PRO B 315 43.724 -10.247 -0.608 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.224 -9.788 -1.389 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.304 -12.473 -0.522 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.447 -12.046 -1.780 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.087 -13.008 0.809 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.218 -12.362 -0.363 1.00 62.12 H new ATOM 1973 N ASP B 316 43.574 -11.069 1.983 1.00 41.21 N ATOM 1974 CA ASP B 316 42.483 -11.184 2.923 1.00 41.22 C ATOM 1975 C ASP B 316 42.195 -12.639 3.176 1.00 10.30 C ATOM 1976 O ASP B 316 42.542 -13.149 4.246 1.00 0.00 O ATOM 1977 CB ASP B 316 41.237 -10.471 2.379 1.00 11.05 C ATOM 1978 CG ASP B 316 39.999 -10.708 3.221 1.00 61.13 C ATOM 1979 OD1 ASP B 316 39.919 -10.167 4.339 1.00 1.52 O ATOM 1980 OD2 ASP B 316 39.057 -11.420 2.766 1.00 52.21 O ATOM 1981 OXT ASP B 316 41.708 -13.309 2.271 1.00 0.00 O ATOM 0 H ASP B 316 43.722 -11.904 1.416 1.00 41.21 H new ATOM 0 HA ASP B 316 42.762 -10.709 3.864 1.00 41.22 H new ATOM 0 HB2 ASP B 316 41.433 -9.400 2.326 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.047 -10.811 1.361 1.00 11.05 H new