USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot -40:sc= 0.554 USER MOD Set 1.2: A 84 SER OG : rot 175:sc= 0.173 USER MOD Set 2.1: A 78 ASN : amide:sc= 0.0514 K(o=0.34,f=-7.3!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ 169:sc= -0.0135 (180deg=-1.58) USER MOD Set 2.3: A 85 SER OG : rot -83:sc= 0.301 USER MOD Set 3.1: A 42 ASN : amide:sc= -0.14 K(o=2.1,f=-3.8!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 148:sc= 2.28 (180deg=1.82) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -143:sc= 0.704 (180deg=0.528) USER MOD Set 4.2: A 88 ASN :FLIP amide:sc= -1.63 F(o=-3.8!,f=-0.93) USER MOD Single : A 25 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -0.0941 (180deg=-0.268) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 2:sc= 1.18 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0242) USER MOD Single : A 37 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.088) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.763) USER MOD Single : A 54 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.56) USER MOD Single : A 55 MET CE :methyl 176:sc= -0.328 (180deg=-0.341) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.86) USER MOD Single : A 61 ASN : amide:sc= -0.918 K(o=-0.92,f=-3.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 81 ASN :FLIP amide:sc=-0.000197 F(o=-0.91,f=-0.0002) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 1.54 (180deg=1.33) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -9.603 0.296 -34.239 1.00 0.44 N ATOM 349 CA GLN A 25 -10.367 -0.919 -34.468 1.00 0.43 C ATOM 350 C GLN A 25 -10.520 -1.713 -33.176 1.00 0.37 C ATOM 351 O GLN A 25 -9.677 -2.543 -32.839 1.00 0.49 O ATOM 352 CB GLN A 25 -9.693 -1.769 -35.550 1.00 0.48 C ATOM 353 CG GLN A 25 -10.440 -3.049 -35.885 1.00 0.64 C ATOM 354 CD GLN A 25 -11.866 -2.798 -36.338 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.793 -2.769 -35.528 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.052 -2.625 -37.636 1.00 1.34 N ATOM 0 HA GLN A 25 -11.364 -0.643 -34.812 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.592 -1.172 -36.456 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -8.685 -2.024 -35.222 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -9.903 -3.582 -36.670 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -10.451 -3.697 -35.009 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.257 -2.656 -38.274 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -12.991 -2.460 -37.999 1.00 1.34 H new ATOM 365 N LYS A 26 -11.586 -1.431 -32.444 1.00 0.26 N ATOM 366 CA LYS A 26 -11.887 -2.150 -31.215 1.00 0.21 C ATOM 367 C LYS A 26 -13.104 -3.040 -31.402 1.00 0.24 C ATOM 368 O LYS A 26 -14.176 -2.577 -31.790 1.00 0.43 O ATOM 369 CB LYS A 26 -12.131 -1.187 -30.055 1.00 0.30 C ATOM 370 CG LYS A 26 -10.893 -0.441 -29.596 1.00 0.69 C ATOM 371 CD LYS A 26 -11.242 0.610 -28.551 1.00 1.08 C ATOM 372 CE LYS A 26 -10.113 0.805 -27.556 1.00 1.59 C ATOM 373 NZ LYS A 26 -9.931 -0.393 -26.690 1.00 2.11 N ATOM 0 H LYS A 26 -12.262 -0.705 -32.681 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.022 -2.768 -30.976 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.889 -0.462 -30.352 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.538 -1.746 -29.213 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.173 -1.146 -29.181 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.415 0.037 -30.451 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.460 1.557 -29.045 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -12.147 0.311 -28.022 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.187 1.011 -28.092 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.322 1.676 -26.934 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -9.682 -0.090 -25.727 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.815 -0.940 -26.664 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -9.168 -0.987 -27.074 1.00 2.11 H new ATOM 387 N LYS A 27 -12.922 -4.316 -31.137 1.00 0.12 N ATOM 388 CA LYS A 27 -13.991 -5.285 -31.214 1.00 0.12 C ATOM 389 C LYS A 27 -14.391 -5.756 -29.823 1.00 0.13 C ATOM 390 O LYS A 27 -13.586 -5.727 -28.896 1.00 0.19 O ATOM 391 CB LYS A 27 -13.533 -6.467 -32.062 1.00 0.14 C ATOM 392 CG LYS A 27 -13.465 -6.165 -33.546 1.00 0.19 C ATOM 393 CD LYS A 27 -14.810 -5.710 -34.082 1.00 0.28 C ATOM 394 CE LYS A 27 -14.728 -5.361 -35.556 1.00 0.44 C ATOM 395 NZ LYS A 27 -14.472 -6.556 -36.402 1.00 1.27 N ATOM 0 H LYS A 27 -12.023 -4.711 -30.861 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.863 -4.821 -31.675 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.549 -6.788 -31.720 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.214 -7.303 -31.902 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.719 -5.391 -33.727 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -13.139 -7.055 -34.085 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.548 -6.498 -33.933 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.153 -4.842 -33.519 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -15.660 -4.889 -35.868 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.934 -4.631 -35.711 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -14.575 -6.300 -37.405 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -13.507 -6.903 -36.230 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -15.155 -7.303 -36.164 1.00 1.27 H new ATOM 409 N ARG A 28 -15.635 -6.175 -29.677 1.00 0.10 N ATOM 410 CA ARG A 28 -16.110 -6.727 -28.419 1.00 0.12 C ATOM 411 C ARG A 28 -16.655 -8.130 -28.631 1.00 0.09 C ATOM 412 O ARG A 28 -17.487 -8.356 -29.511 1.00 0.15 O ATOM 413 CB ARG A 28 -17.182 -5.837 -27.799 1.00 0.19 C ATOM 414 CG ARG A 28 -16.635 -4.524 -27.276 1.00 0.29 C ATOM 415 CD ARG A 28 -17.570 -3.893 -26.262 1.00 0.29 C ATOM 416 NE ARG A 28 -18.873 -3.555 -26.832 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.663 -2.586 -26.362 1.00 1.15 C ATOM 418 NH1 ARG A 28 -19.270 -1.851 -25.327 1.00 1.40 N ATOM 419 NH2 ARG A 28 -20.835 -2.352 -26.932 1.00 1.65 N ATOM 0 H ARG A 28 -16.337 -6.144 -30.416 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.266 -6.773 -27.731 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.951 -5.632 -28.544 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.664 -6.374 -26.982 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.660 -4.692 -26.818 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.482 -3.836 -28.108 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.710 -4.579 -25.427 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -17.109 -2.991 -25.860 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.198 -4.091 -27.637 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -18.365 -2.027 -24.891 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.874 -1.111 -24.968 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.135 -2.912 -27.730 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.438 -1.612 -26.573 1.00 1.65 H new ATOM 433 N ALA A 29 -16.171 -9.059 -27.826 1.00 0.08 N ATOM 434 CA ALA A 29 -16.575 -10.453 -27.904 1.00 0.07 C ATOM 435 C ALA A 29 -16.393 -11.100 -26.542 1.00 0.06 C ATOM 436 O ALA A 29 -15.967 -10.445 -25.592 1.00 0.08 O ATOM 437 CB ALA A 29 -15.778 -11.204 -28.967 1.00 0.08 C ATOM 0 H ALA A 29 -15.484 -8.868 -27.097 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.625 -10.500 -28.194 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.104 -12.243 -29.000 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.943 -10.741 -29.940 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.717 -11.165 -28.722 1.00 0.08 H new ATOM 443 N THR A 30 -16.720 -12.366 -26.437 1.00 0.06 N ATOM 444 CA THR A 30 -16.600 -13.066 -25.179 1.00 0.06 C ATOM 445 C THR A 30 -15.341 -13.927 -25.186 1.00 0.06 C ATOM 446 O THR A 30 -14.938 -14.439 -26.234 1.00 0.08 O ATOM 447 CB THR A 30 -17.833 -13.956 -24.937 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.856 -13.638 -25.894 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.379 -13.765 -23.531 1.00 0.11 C ATOM 0 H THR A 30 -17.072 -12.934 -27.208 1.00 0.06 H new ATOM 0 HA THR A 30 -16.535 -12.331 -24.377 1.00 0.06 H new ATOM 0 HB THR A 30 -17.529 -14.996 -25.051 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.638 -14.207 -25.738 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.249 -14.406 -23.388 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.611 -14.029 -22.804 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.669 -12.723 -23.392 1.00 0.11 H new ATOM 457 N VAL A 31 -14.699 -14.053 -24.031 1.00 0.08 N ATOM 458 CA VAL A 31 -13.533 -14.914 -23.903 1.00 0.10 C ATOM 459 C VAL A 31 -13.931 -16.363 -24.125 1.00 0.11 C ATOM 460 O VAL A 31 -14.691 -16.941 -23.348 1.00 0.14 O ATOM 461 CB VAL A 31 -12.857 -14.772 -22.524 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.585 -15.600 -22.461 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.553 -13.317 -22.224 1.00 0.13 C ATOM 0 H VAL A 31 -14.966 -13.571 -23.173 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.815 -14.603 -24.662 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.549 -15.144 -21.768 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.124 -15.485 -21.480 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.826 -16.650 -22.628 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.891 -15.260 -23.230 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.076 -13.239 -21.247 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.883 -12.920 -22.987 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.480 -12.744 -22.222 1.00 0.13 H new ATOM 473 N ASP A 32 -13.410 -16.923 -25.201 1.00 0.12 N ATOM 474 CA ASP A 32 -13.688 -18.292 -25.597 1.00 0.15 C ATOM 475 C ASP A 32 -13.073 -19.255 -24.588 1.00 0.15 C ATOM 476 O ASP A 32 -13.723 -20.195 -24.132 1.00 0.19 O ATOM 477 CB ASP A 32 -13.106 -18.531 -26.998 1.00 0.21 C ATOM 478 CG ASP A 32 -13.400 -19.906 -27.570 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.821 -20.897 -27.084 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.192 -19.993 -28.536 1.00 0.60 O ATOM 0 H ASP A 32 -12.775 -16.435 -25.832 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.764 -18.464 -25.622 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.502 -17.776 -27.677 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.026 -18.390 -26.959 1.00 0.21 H new ATOM 485 N SER A 33 -11.824 -18.977 -24.217 1.00 0.14 N ATOM 486 CA SER A 33 -11.072 -19.797 -23.277 1.00 0.18 C ATOM 487 C SER A 33 -9.799 -19.072 -22.861 1.00 0.13 C ATOM 488 O SER A 33 -9.414 -18.082 -23.479 1.00 0.14 O ATOM 489 CB SER A 33 -10.706 -21.147 -23.901 1.00 0.27 C ATOM 490 OG SER A 33 -11.833 -21.997 -24.006 1.00 1.07 O ATOM 0 H SER A 33 -11.305 -18.171 -24.564 1.00 0.14 H new ATOM 0 HA SER A 33 -11.698 -19.974 -22.403 1.00 0.18 H new ATOM 0 HB2 SER A 33 -10.278 -20.987 -24.890 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.939 -21.632 -23.296 1.00 0.27 H new ATOM 0 HG SER A 33 -12.630 -21.525 -23.685 1.00 1.07 H new ATOM 496 N ILE A 34 -9.157 -19.562 -21.812 1.00 0.16 N ATOM 497 CA ILE A 34 -7.890 -19.011 -21.363 1.00 0.14 C ATOM 498 C ILE A 34 -6.936 -20.140 -20.986 1.00 0.16 C ATOM 499 O ILE A 34 -7.295 -21.045 -20.233 1.00 0.19 O ATOM 500 CB ILE A 34 -8.078 -18.020 -20.180 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.422 -16.621 -20.714 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.834 -17.964 -19.298 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.706 -15.594 -19.633 1.00 0.17 C ATOM 0 H ILE A 34 -9.496 -20.345 -21.253 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.457 -18.443 -22.186 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.903 -18.379 -19.565 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.595 -16.266 -21.329 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.293 -16.697 -21.365 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.999 -17.262 -18.481 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.632 -18.955 -18.890 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.981 -17.635 -19.892 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.940 -14.635 -20.095 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.553 -15.923 -19.032 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.829 -15.485 -18.995 1.00 0.17 H new ATOM 515 N LYS A 35 -5.738 -20.088 -21.543 1.00 0.17 N ATOM 516 CA LYS A 35 -4.723 -21.096 -21.303 1.00 0.21 C ATOM 517 C LYS A 35 -3.536 -20.473 -20.576 1.00 0.20 C ATOM 518 O LYS A 35 -2.598 -19.983 -21.206 1.00 0.22 O ATOM 519 CB LYS A 35 -4.258 -21.709 -22.626 1.00 0.24 C ATOM 520 CG LYS A 35 -5.350 -22.470 -23.359 1.00 0.34 C ATOM 521 CD LYS A 35 -5.835 -23.663 -22.551 1.00 0.47 C ATOM 522 CE LYS A 35 -7.042 -24.322 -23.193 1.00 0.64 C ATOM 523 NZ LYS A 35 -6.729 -24.884 -24.535 1.00 1.56 N ATOM 0 H LYS A 35 -5.443 -19.344 -22.175 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.151 -21.884 -20.683 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.882 -20.916 -23.272 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.424 -22.383 -22.431 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.187 -21.802 -23.562 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -4.973 -22.811 -24.323 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.029 -24.391 -22.458 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.091 -23.340 -21.542 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.407 -25.118 -22.544 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.846 -23.592 -23.285 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -7.563 -25.382 -24.906 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.470 -24.113 -25.183 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -5.934 -25.550 -24.456 1.00 1.56 H new ATOM 537 N GLY A 36 -3.599 -20.454 -19.252 1.00 0.25 N ATOM 538 CA GLY A 36 -2.524 -19.878 -18.467 1.00 0.28 C ATOM 539 C GLY A 36 -2.415 -18.371 -18.633 1.00 0.24 C ATOM 540 O GLY A 36 -3.250 -17.621 -18.131 1.00 0.29 O ATOM 0 H GLY A 36 -4.376 -20.827 -18.706 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.683 -20.112 -17.414 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.580 -20.340 -18.757 1.00 0.28 H new ATOM 544 N GLN A 37 -1.385 -17.931 -19.351 1.00 0.21 N ATOM 545 CA GLN A 37 -1.138 -16.503 -19.556 1.00 0.20 C ATOM 546 C GLN A 37 -1.715 -16.031 -20.878 1.00 0.17 C ATOM 547 O GLN A 37 -1.525 -14.882 -21.268 1.00 0.21 O ATOM 548 CB GLN A 37 0.360 -16.204 -19.538 1.00 0.24 C ATOM 549 CG GLN A 37 1.075 -16.689 -18.291 1.00 0.36 C ATOM 550 CD GLN A 37 0.474 -16.127 -17.015 1.00 1.27 C ATOM 551 OE1 GLN A 37 -0.406 -16.735 -16.406 1.00 2.10 O ATOM 552 NE2 GLN A 37 0.930 -14.954 -16.611 1.00 1.94 N ATOM 0 H GLN A 37 -0.705 -18.543 -19.802 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.628 -15.971 -18.740 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.822 -16.665 -20.411 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.506 -15.128 -19.632 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.038 -17.778 -18.256 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.126 -16.407 -18.347 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.660 -14.480 -17.142 1.00 1.94 H new ATOM 0 HE22 GLN A 37 0.551 -14.523 -15.768 1.00 1.94 H new ATOM 561 N PHE A 38 -2.421 -16.905 -21.568 1.00 0.13 N ATOM 562 CA PHE A 38 -2.937 -16.569 -22.876 1.00 0.11 C ATOM 563 C PHE A 38 -4.422 -16.800 -22.928 1.00 0.10 C ATOM 564 O PHE A 38 -4.929 -17.770 -22.379 1.00 0.12 O ATOM 565 CB PHE A 38 -2.231 -17.379 -23.962 1.00 0.13 C ATOM 566 CG PHE A 38 -0.774 -17.041 -24.078 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.351 -16.050 -24.947 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.169 -17.693 -23.295 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.982 -15.712 -25.033 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.504 -17.361 -23.383 1.00 0.29 C ATOM 571 CZ PHE A 38 1.909 -16.368 -24.249 1.00 0.32 C ATOM 0 H PHE A 38 -2.648 -17.846 -21.246 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.743 -15.512 -23.060 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.337 -18.442 -23.745 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.719 -17.199 -24.920 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.073 -15.536 -25.564 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.146 -18.467 -22.611 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.301 -14.935 -25.712 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.231 -17.878 -22.775 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.954 -16.103 -24.314 1.00 0.32 H new ATOM 581 N GLY A 39 -5.111 -15.902 -23.585 1.00 0.09 N ATOM 582 CA GLY A 39 -6.538 -16.017 -23.698 1.00 0.09 C ATOM 583 C GLY A 39 -6.970 -16.061 -25.135 1.00 0.09 C ATOM 584 O GLY A 39 -6.233 -15.635 -26.022 1.00 0.11 O ATOM 0 H GLY A 39 -4.707 -15.087 -24.047 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.874 -16.920 -23.187 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.014 -15.173 -23.199 1.00 0.09 H new ATOM 588 N PHE A 40 -8.148 -16.595 -25.370 1.00 0.09 N ATOM 589 CA PHE A 40 -8.707 -16.655 -26.699 1.00 0.10 C ATOM 590 C PHE A 40 -10.135 -16.164 -26.651 1.00 0.10 C ATOM 591 O PHE A 40 -10.855 -16.433 -25.693 1.00 0.18 O ATOM 592 CB PHE A 40 -8.658 -18.089 -27.243 1.00 0.12 C ATOM 593 CG PHE A 40 -7.275 -18.661 -27.311 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.701 -19.254 -26.197 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.547 -18.609 -28.488 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.427 -19.783 -26.254 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.273 -19.137 -28.553 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.711 -19.726 -27.435 1.00 0.17 C ATOM 0 H PHE A 40 -8.743 -16.998 -24.646 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.121 -16.022 -27.366 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.275 -18.729 -26.612 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.098 -18.105 -28.240 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.258 -19.303 -25.273 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.981 -18.150 -29.364 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.991 -20.240 -25.378 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.715 -19.090 -29.477 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.715 -20.140 -27.485 1.00 0.17 H new ATOM 608 N LEU A 41 -10.530 -15.429 -27.662 1.00 0.10 N ATOM 609 CA LEU A 41 -11.878 -14.902 -27.740 1.00 0.09 C ATOM 610 C LEU A 41 -12.570 -15.534 -28.925 1.00 0.09 C ATOM 611 O LEU A 41 -11.905 -15.901 -29.894 1.00 0.13 O ATOM 612 CB LEU A 41 -11.834 -13.385 -27.896 1.00 0.09 C ATOM 613 CG LEU A 41 -10.756 -12.701 -27.060 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.434 -11.331 -27.616 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.204 -12.595 -25.614 1.00 0.53 C ATOM 0 H LEU A 41 -9.934 -15.178 -28.451 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.427 -15.135 -26.827 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.671 -13.144 -28.946 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.806 -12.974 -27.622 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.850 -13.306 -27.103 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.663 -10.862 -27.004 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.074 -11.429 -28.640 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.332 -10.713 -27.604 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.427 -12.105 -25.027 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.122 -12.010 -25.560 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.385 -13.593 -25.215 1.00 0.53 H new ATOM 627 N ASN A 42 -13.882 -15.679 -28.856 1.00 0.11 N ATOM 628 CA ASN A 42 -14.616 -16.300 -29.948 1.00 0.15 C ATOM 629 C ASN A 42 -14.730 -15.320 -31.112 1.00 0.14 C ATOM 630 O ASN A 42 -15.788 -14.735 -31.355 1.00 0.17 O ATOM 631 CB ASN A 42 -16.006 -16.748 -29.488 1.00 0.22 C ATOM 632 CG ASN A 42 -16.621 -17.765 -30.430 1.00 0.79 C ATOM 633 OD1 ASN A 42 -15.921 -18.593 -31.010 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.932 -17.716 -30.600 1.00 1.37 N ATOM 0 H ASN A 42 -14.456 -15.380 -28.067 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.071 -17.185 -30.276 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -15.935 -17.177 -28.489 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.661 -15.879 -29.416 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.390 -18.377 -31.227 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.485 -17.017 -30.104 1.00 1.37 H new ATOM 641 N PHE A 43 -13.611 -15.119 -31.790 1.00 0.12 N ATOM 642 CA PHE A 43 -13.523 -14.211 -32.915 1.00 0.13 C ATOM 643 C PHE A 43 -12.596 -14.819 -33.957 1.00 0.16 C ATOM 644 O PHE A 43 -11.370 -14.747 -33.835 1.00 0.18 O ATOM 645 CB PHE A 43 -12.987 -12.849 -32.455 1.00 0.12 C ATOM 646 CG PHE A 43 -13.204 -11.731 -33.438 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.231 -10.817 -33.253 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.377 -11.584 -34.541 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.431 -9.787 -34.151 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.575 -10.555 -35.442 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.600 -9.655 -35.246 1.00 0.28 C ATOM 0 H PHE A 43 -12.732 -15.588 -31.570 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.512 -14.058 -33.346 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.464 -12.584 -31.511 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -11.919 -12.940 -32.257 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -14.882 -10.912 -32.396 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.568 -12.282 -34.698 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.237 -9.085 -33.997 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.926 -10.456 -36.300 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.753 -8.848 -35.947 1.00 0.28 H new ATOM 661 N GLU A 44 -13.182 -15.452 -34.954 1.00 0.23 N ATOM 662 CA GLU A 44 -12.416 -16.095 -36.004 1.00 0.30 C ATOM 663 C GLU A 44 -12.170 -15.113 -37.136 1.00 0.29 C ATOM 664 O GLU A 44 -13.086 -14.750 -37.877 1.00 0.39 O ATOM 665 CB GLU A 44 -13.136 -17.347 -36.504 1.00 0.44 C ATOM 666 CG GLU A 44 -13.243 -18.448 -35.456 1.00 0.60 C ATOM 667 CD GLU A 44 -14.246 -18.149 -34.366 1.00 1.14 C ATOM 668 OE1 GLU A 44 -13.878 -18.238 -33.178 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.405 -17.826 -34.696 1.00 1.57 O ATOM 0 H GLU A 44 -14.193 -15.535 -35.059 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.452 -16.407 -35.603 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.138 -17.072 -36.834 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.609 -17.736 -37.375 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.520 -19.381 -35.948 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -12.264 -18.605 -35.004 1.00 0.60 H new ATOM 676 N VAL A 45 -10.930 -14.663 -37.244 1.00 0.30 N ATOM 677 CA VAL A 45 -10.562 -13.647 -38.219 1.00 0.38 C ATOM 678 C VAL A 45 -10.499 -14.215 -39.636 1.00 0.45 C ATOM 679 O VAL A 45 -10.813 -13.527 -40.607 1.00 0.58 O ATOM 680 CB VAL A 45 -9.207 -12.993 -37.862 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.329 -12.212 -36.565 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.105 -14.039 -37.747 1.00 0.71 C ATOM 0 H VAL A 45 -10.156 -14.988 -36.664 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.343 -12.887 -38.188 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.938 -12.308 -38.666 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.369 -11.756 -36.323 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.083 -11.433 -36.679 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.623 -12.886 -35.761 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.164 -13.550 -37.495 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.362 -14.754 -36.966 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.999 -14.562 -38.697 1.00 0.71 H new ATOM 692 N GLU A 46 -10.112 -15.475 -39.751 1.00 0.51 N ATOM 693 CA GLU A 46 -9.892 -16.085 -41.040 1.00 0.61 C ATOM 694 C GLU A 46 -10.029 -17.599 -40.946 1.00 0.62 C ATOM 695 O GLU A 46 -9.254 -18.243 -40.252 1.00 0.97 O ATOM 696 CB GLU A 46 -8.491 -15.700 -41.515 1.00 0.75 C ATOM 697 CG GLU A 46 -7.835 -16.721 -42.415 1.00 0.88 C ATOM 698 CD GLU A 46 -6.361 -16.448 -42.610 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.547 -16.957 -41.814 1.00 2.24 O ATOM 700 OE2 GLU A 46 -6.012 -15.730 -43.570 1.00 1.57 O ATOM 0 H GLU A 46 -9.944 -16.094 -38.958 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.637 -15.732 -41.752 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.549 -14.750 -42.046 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.856 -15.540 -40.643 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.965 -17.716 -41.988 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.334 -16.722 -43.384 1.00 0.88 H new ATOM 707 N ASP A 47 -11.045 -18.148 -41.601 1.00 0.85 N ATOM 708 CA ASP A 47 -11.215 -19.605 -41.721 1.00 0.84 C ATOM 709 C ASP A 47 -11.156 -20.335 -40.380 1.00 0.83 C ATOM 710 O ASP A 47 -10.690 -21.472 -40.303 1.00 1.18 O ATOM 711 CB ASP A 47 -10.162 -20.185 -42.660 1.00 0.90 C ATOM 712 CG ASP A 47 -10.674 -20.319 -44.077 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.379 -21.309 -44.359 1.00 1.30 O ATOM 714 OD2 ASP A 47 -10.379 -19.437 -44.910 1.00 1.55 O ATOM 0 H ASP A 47 -11.774 -17.606 -42.064 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.214 -19.761 -42.128 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.279 -19.546 -42.653 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.850 -21.163 -42.294 1.00 0.90 H new ATOM 719 N GLY A 48 -11.646 -19.697 -39.337 1.00 0.65 N ATOM 720 CA GLY A 48 -11.663 -20.330 -38.040 1.00 0.67 C ATOM 721 C GLY A 48 -10.405 -20.062 -37.242 1.00 0.58 C ATOM 722 O GLY A 48 -10.092 -20.799 -36.307 1.00 0.66 O ATOM 0 H GLY A 48 -12.032 -18.753 -39.363 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.527 -19.975 -37.478 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.785 -21.406 -38.167 1.00 0.67 H new ATOM 726 N LYS A 49 -9.680 -19.007 -37.603 1.00 0.48 N ATOM 727 CA LYS A 49 -8.493 -18.622 -36.855 1.00 0.44 C ATOM 728 C LYS A 49 -8.918 -17.852 -35.610 1.00 0.36 C ATOM 729 O LYS A 49 -9.387 -16.716 -35.702 1.00 0.35 O ATOM 730 CB LYS A 49 -7.548 -17.771 -37.722 1.00 0.50 C ATOM 731 CG LYS A 49 -6.785 -18.576 -38.770 1.00 0.71 C ATOM 732 CD LYS A 49 -5.471 -19.124 -38.236 1.00 0.93 C ATOM 733 CE LYS A 49 -4.305 -18.199 -38.563 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.012 -18.161 -40.025 1.00 2.50 N ATOM 0 H LYS A 49 -9.893 -18.410 -38.402 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.949 -19.519 -36.560 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.128 -16.996 -38.223 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -6.833 -17.264 -37.074 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.407 -19.402 -39.114 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.587 -17.945 -39.636 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.542 -19.254 -37.156 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.286 -20.109 -38.664 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.532 -17.192 -38.213 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.417 -18.531 -38.024 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.022 -17.879 -40.173 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.169 -19.104 -40.435 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -4.640 -17.473 -40.487 1.00 2.50 H new ATOM 748 N LYS A 50 -8.754 -18.487 -34.460 1.00 0.37 N ATOM 749 CA LYS A 50 -9.196 -17.930 -33.188 1.00 0.32 C ATOM 750 C LYS A 50 -8.309 -16.764 -32.773 1.00 0.27 C ATOM 751 O LYS A 50 -7.087 -16.815 -32.938 1.00 0.36 O ATOM 752 CB LYS A 50 -9.151 -19.019 -32.109 1.00 0.41 C ATOM 753 CG LYS A 50 -9.910 -18.661 -30.842 1.00 0.47 C ATOM 754 CD LYS A 50 -11.413 -18.652 -31.072 1.00 0.47 C ATOM 755 CE LYS A 50 -11.989 -20.057 -31.170 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.469 -20.036 -31.279 1.00 1.32 N ATOM 0 H LYS A 50 -8.311 -19.402 -34.381 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.217 -17.566 -33.303 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.563 -19.941 -32.520 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.111 -19.221 -31.853 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -9.666 -19.377 -30.057 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -9.590 -17.680 -30.490 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -11.900 -18.118 -30.256 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.635 -18.106 -31.989 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -11.567 -20.564 -32.038 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -11.697 -20.632 -30.292 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -13.786 -20.841 -31.856 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -13.888 -20.104 -30.330 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -13.771 -19.148 -31.728 1.00 1.32 H new ATOM 770 N LEU A 51 -8.921 -15.714 -32.252 1.00 0.19 N ATOM 771 CA LEU A 51 -8.169 -14.583 -31.739 1.00 0.13 C ATOM 772 C LEU A 51 -7.526 -14.911 -30.401 1.00 0.12 C ATOM 773 O LEU A 51 -8.216 -15.271 -29.445 1.00 0.16 O ATOM 774 CB LEU A 51 -9.060 -13.361 -31.577 1.00 0.13 C ATOM 775 CG LEU A 51 -8.860 -12.274 -32.633 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.683 -11.048 -32.298 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.393 -11.905 -32.765 1.00 0.16 C ATOM 0 H LEU A 51 -9.934 -15.622 -32.173 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.387 -14.363 -32.466 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.101 -13.683 -31.601 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -8.882 -12.928 -30.593 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.198 -12.670 -33.590 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.527 -10.286 -33.061 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.739 -11.317 -32.264 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.376 -10.658 -31.328 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.280 -11.130 -33.523 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.024 -11.534 -31.809 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.821 -12.785 -33.058 1.00 0.16 H new ATOM 789 N PHE A 52 -6.210 -14.778 -30.331 1.00 0.12 N ATOM 790 CA PHE A 52 -5.497 -15.012 -29.086 1.00 0.11 C ATOM 791 C PHE A 52 -5.022 -13.689 -28.499 1.00 0.10 C ATOM 792 O PHE A 52 -4.953 -12.673 -29.203 1.00 0.12 O ATOM 793 CB PHE A 52 -4.300 -15.956 -29.305 1.00 0.14 C ATOM 794 CG PHE A 52 -2.991 -15.259 -29.584 1.00 0.20 C ATOM 795 CD1 PHE A 52 -2.733 -14.689 -30.822 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.015 -15.183 -28.600 1.00 0.28 C ATOM 797 CE1 PHE A 52 -1.532 -14.052 -31.071 1.00 0.38 C ATOM 798 CE2 PHE A 52 -0.812 -14.546 -28.844 1.00 0.37 C ATOM 799 CZ PHE A 52 -0.570 -13.982 -30.081 1.00 0.39 C ATOM 0 H PHE A 52 -5.618 -14.511 -31.117 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.182 -15.488 -28.384 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.182 -16.582 -28.421 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.527 -16.621 -30.138 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.479 -14.744 -31.601 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.197 -15.627 -27.632 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -1.345 -13.609 -32.038 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.063 -14.490 -28.068 1.00 0.37 H new ATOM 0 HZ PHE A 52 0.370 -13.487 -30.275 1.00 0.39 H new ATOM 809 N PHE A 53 -4.708 -13.701 -27.214 1.00 0.10 N ATOM 810 CA PHE A 53 -4.136 -12.544 -26.552 1.00 0.10 C ATOM 811 C PHE A 53 -3.284 -12.996 -25.368 1.00 0.11 C ATOM 812 O PHE A 53 -3.448 -14.109 -24.868 1.00 0.13 O ATOM 813 CB PHE A 53 -5.246 -11.579 -26.100 1.00 0.10 C ATOM 814 CG PHE A 53 -6.103 -12.065 -24.956 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.639 -12.014 -23.649 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.380 -12.558 -25.187 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.422 -12.448 -22.602 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.167 -12.991 -24.139 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.687 -12.938 -22.846 1.00 0.14 C ATOM 0 H PHE A 53 -4.842 -14.508 -26.605 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.497 -12.009 -27.254 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.786 -10.634 -25.811 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -5.892 -11.371 -26.953 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.650 -11.629 -23.450 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.761 -12.603 -26.196 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.045 -12.404 -21.591 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.159 -13.372 -24.331 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.302 -13.280 -22.027 1.00 0.14 H new ATOM 829 N HIS A 54 -2.369 -12.145 -24.935 1.00 0.13 N ATOM 830 CA HIS A 54 -1.557 -12.436 -23.769 1.00 0.15 C ATOM 831 C HIS A 54 -2.138 -11.693 -22.570 1.00 0.15 C ATOM 832 O HIS A 54 -2.831 -10.689 -22.734 1.00 0.16 O ATOM 833 CB HIS A 54 -0.100 -12.018 -24.016 1.00 0.18 C ATOM 834 CG HIS A 54 0.849 -12.486 -22.956 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.836 -11.702 -22.399 1.00 0.34 N ATOM 836 CD2 HIS A 54 0.954 -13.697 -22.359 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.488 -12.447 -21.497 1.00 0.34 C ATOM 838 NE2 HIS A 54 1.992 -13.668 -21.439 1.00 0.27 N ATOM 0 H HIS A 54 -2.171 -11.246 -25.375 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.566 -13.508 -23.569 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.223 -12.412 -24.980 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.049 -10.931 -24.082 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.328 -14.552 -22.567 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.313 -12.094 -20.895 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.307 -14.432 -20.841 1.00 0.27 H new ATOM 846 N MET A 55 -1.867 -12.186 -21.367 1.00 0.16 N ATOM 847 CA MET A 55 -2.328 -11.547 -20.137 1.00 0.17 C ATOM 848 C MET A 55 -1.696 -10.166 -19.928 1.00 0.17 C ATOM 849 O MET A 55 -1.938 -9.517 -18.914 1.00 0.27 O ATOM 850 CB MET A 55 -2.019 -12.451 -18.937 1.00 0.24 C ATOM 851 CG MET A 55 -3.053 -13.539 -18.704 1.00 0.76 C ATOM 852 SD MET A 55 -4.666 -12.867 -18.261 1.00 1.86 S ATOM 853 CE MET A 55 -5.588 -14.375 -17.971 1.00 2.43 C ATOM 0 H MET A 55 -1.324 -13.036 -21.215 1.00 0.16 H new ATOM 0 HA MET A 55 -3.405 -11.401 -20.226 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.044 -12.916 -19.086 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.945 -11.836 -18.040 1.00 0.24 H new ATOM 0 HG2 MET A 55 -3.149 -14.144 -19.605 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.708 -14.201 -17.910 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.589 -14.127 -17.618 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.660 -14.942 -18.899 1.00 2.43 H new ATOM 0 HE3 MET A 55 -5.076 -14.975 -17.219 1.00 2.43 H new ATOM 863 N SER A 56 -0.895 -9.721 -20.890 1.00 0.16 N ATOM 864 CA SER A 56 -0.285 -8.404 -20.829 1.00 0.19 C ATOM 865 C SER A 56 -1.224 -7.361 -21.434 1.00 0.17 C ATOM 866 O SER A 56 -1.192 -6.189 -21.057 1.00 0.24 O ATOM 867 CB SER A 56 1.055 -8.411 -21.567 1.00 0.26 C ATOM 868 OG SER A 56 1.789 -7.221 -21.336 1.00 0.91 O ATOM 0 H SER A 56 -0.654 -10.258 -21.723 1.00 0.16 H new ATOM 0 HA SER A 56 -0.105 -8.145 -19.786 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.644 -9.270 -21.244 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.880 -8.529 -22.636 1.00 0.26 H new ATOM 0 HG SER A 56 2.639 -7.262 -21.822 1.00 0.91 H new ATOM 874 N GLU A 57 -2.064 -7.798 -22.372 1.00 0.14 N ATOM 875 CA GLU A 57 -3.051 -6.925 -22.991 1.00 0.17 C ATOM 876 C GLU A 57 -4.305 -6.857 -22.131 1.00 0.16 C ATOM 877 O GLU A 57 -5.188 -6.035 -22.365 1.00 0.20 O ATOM 878 CB GLU A 57 -3.416 -7.429 -24.395 1.00 0.22 C ATOM 879 CG GLU A 57 -2.320 -7.252 -25.445 1.00 0.32 C ATOM 880 CD GLU A 57 -1.027 -7.964 -25.098 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.055 -9.190 -24.874 1.00 1.96 O ATOM 882 OE2 GLU A 57 0.029 -7.297 -25.061 1.00 1.20 O ATOM 0 H GLU A 57 -2.077 -8.757 -22.719 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.618 -5.928 -23.077 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.671 -8.487 -24.331 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.311 -6.906 -24.732 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.683 -7.623 -26.403 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -2.117 -6.188 -25.571 1.00 0.32 H new ATOM 889 N VAL A 58 -4.369 -7.742 -21.145 1.00 0.17 N ATOM 890 CA VAL A 58 -5.488 -7.824 -20.223 1.00 0.17 C ATOM 891 C VAL A 58 -5.554 -6.600 -19.304 1.00 0.20 C ATOM 892 O VAL A 58 -4.534 -5.976 -19.008 1.00 0.27 O ATOM 893 CB VAL A 58 -5.395 -9.142 -19.413 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.043 -9.038 -18.039 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.025 -10.273 -20.205 1.00 0.22 C ATOM 0 H VAL A 58 -3.637 -8.429 -20.963 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.415 -7.830 -20.797 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.337 -9.346 -19.246 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.947 -9.991 -17.518 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.548 -8.257 -17.461 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.099 -8.791 -18.152 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.958 -11.199 -19.633 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.072 -10.041 -20.400 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.498 -10.392 -21.151 1.00 0.22 H new ATOM 905 N GLN A 59 -6.777 -6.266 -18.897 1.00 0.20 N ATOM 906 CA GLN A 59 -7.071 -5.101 -18.066 1.00 0.25 C ATOM 907 C GLN A 59 -6.311 -5.145 -16.740 1.00 0.34 C ATOM 908 O GLN A 59 -6.817 -5.674 -15.750 1.00 0.57 O ATOM 909 CB GLN A 59 -8.586 -5.050 -17.805 1.00 0.31 C ATOM 910 CG GLN A 59 -9.137 -3.677 -17.419 1.00 0.41 C ATOM 911 CD GLN A 59 -8.690 -3.204 -16.046 1.00 0.77 C ATOM 912 OE1 GLN A 59 -7.677 -2.517 -15.908 1.00 1.60 O ATOM 913 NE2 GLN A 59 -9.439 -3.571 -15.018 1.00 1.25 N ATOM 0 H GLN A 59 -7.606 -6.808 -19.140 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.747 -4.205 -18.595 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.104 -5.392 -18.701 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.825 -5.756 -17.009 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.824 -2.947 -18.165 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.226 -3.712 -17.445 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -10.271 -4.140 -15.171 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -9.184 -3.284 -14.073 1.00 1.25 H new ATOM 922 N GLY A 60 -5.093 -4.603 -16.743 1.00 0.40 N ATOM 923 CA GLY A 60 -4.311 -4.463 -15.525 1.00 0.49 C ATOM 924 C GLY A 60 -4.060 -5.786 -14.819 1.00 0.44 C ATOM 925 O GLY A 60 -3.083 -6.478 -15.105 1.00 0.58 O ATOM 0 H GLY A 60 -4.629 -4.254 -17.582 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -3.354 -4.000 -15.766 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -4.829 -3.788 -14.844 1.00 0.49 H new ATOM 929 N ASN A 61 -4.952 -6.135 -13.906 1.00 0.47 N ATOM 930 CA ASN A 61 -4.827 -7.361 -13.136 1.00 0.52 C ATOM 931 C ASN A 61 -5.285 -8.555 -13.955 1.00 0.52 C ATOM 932 O ASN A 61 -6.382 -8.569 -14.513 1.00 0.49 O ATOM 933 CB ASN A 61 -5.641 -7.257 -11.853 1.00 0.63 C ATOM 934 CG ASN A 61 -5.599 -8.513 -11.002 1.00 1.27 C ATOM 935 OD1 ASN A 61 -4.639 -9.280 -11.046 1.00 2.20 O ATOM 936 ND2 ASN A 61 -6.635 -8.720 -10.204 1.00 1.71 N ATOM 0 H ASN A 61 -5.777 -5.580 -13.679 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.778 -7.504 -12.878 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -5.271 -6.417 -11.265 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.677 -7.035 -12.107 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -6.655 -9.539 -9.597 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -7.413 -8.060 -10.196 1.00 1.71 H new ATOM 943 N THR A 62 -4.448 -9.564 -13.982 1.00 0.62 N ATOM 944 CA THR A 62 -4.658 -10.729 -14.813 1.00 0.71 C ATOM 945 C THR A 62 -5.648 -11.691 -14.164 1.00 0.70 C ATOM 946 O THR A 62 -6.112 -12.646 -14.782 1.00 0.82 O ATOM 947 CB THR A 62 -3.303 -11.401 -15.052 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.801 -11.945 -13.821 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.324 -10.360 -15.569 1.00 0.95 C ATOM 0 H THR A 62 -3.595 -9.602 -13.424 1.00 0.62 H new ATOM 0 HA THR A 62 -5.089 -10.430 -15.768 1.00 0.71 H new ATOM 0 HB THR A 62 -3.420 -12.205 -15.778 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.935 -12.375 -13.982 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.355 -10.827 -15.743 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.698 -9.941 -16.503 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.216 -9.564 -14.832 1.00 0.95 H new ATOM 957 N VAL A 63 -5.967 -11.420 -12.906 1.00 0.63 N ATOM 958 CA VAL A 63 -6.948 -12.205 -12.178 1.00 0.71 C ATOM 959 C VAL A 63 -8.355 -11.631 -12.396 1.00 0.64 C ATOM 960 O VAL A 63 -9.353 -12.260 -12.061 1.00 0.74 O ATOM 961 CB VAL A 63 -6.617 -12.231 -10.666 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.526 -13.193 -9.914 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.156 -12.599 -10.445 1.00 1.31 C ATOM 0 H VAL A 63 -5.556 -10.657 -12.368 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.917 -13.226 -12.557 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.790 -11.230 -10.272 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.266 -13.187 -8.855 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.564 -12.883 -10.035 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.400 -14.200 -10.312 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.942 -12.612 -9.376 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.961 -13.585 -10.866 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.517 -11.863 -10.934 1.00 1.31 H new ATOM 973 N ALA A 64 -8.426 -10.438 -12.983 1.00 0.55 N ATOM 974 CA ALA A 64 -9.703 -9.750 -13.160 1.00 0.53 C ATOM 975 C ALA A 64 -10.411 -10.196 -14.432 1.00 0.44 C ATOM 976 O ALA A 64 -11.624 -10.012 -14.582 1.00 0.56 O ATOM 977 CB ALA A 64 -9.496 -8.244 -13.173 1.00 0.57 C ATOM 0 H ALA A 64 -7.618 -9.930 -13.343 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.340 -10.015 -12.316 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.456 -7.746 -13.306 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -9.052 -7.930 -12.229 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.831 -7.975 -13.994 1.00 0.57 H new ATOM 983 N LEU A 65 -9.657 -10.783 -15.343 1.00 0.35 N ATOM 984 CA LEU A 65 -10.206 -11.208 -16.617 1.00 0.25 C ATOM 985 C LEU A 65 -10.350 -12.727 -16.631 1.00 0.22 C ATOM 986 O LEU A 65 -9.380 -13.447 -16.396 1.00 0.26 O ATOM 987 CB LEU A 65 -9.283 -10.733 -17.741 1.00 0.23 C ATOM 988 CG LEU A 65 -9.976 -10.269 -19.018 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.592 -8.829 -19.321 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.621 -11.190 -20.174 1.00 1.21 C ATOM 0 H LEU A 65 -8.663 -10.976 -15.224 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.194 -10.772 -16.766 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.673 -9.913 -17.362 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.602 -11.546 -17.994 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.056 -10.311 -18.877 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.090 -8.504 -20.234 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.898 -8.189 -18.493 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.512 -8.760 -19.453 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.122 -10.847 -21.079 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.542 -11.179 -20.330 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -9.944 -12.205 -19.943 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.559 -13.214 -16.894 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.839 -14.644 -16.826 1.00 0.21 C ATOM 1004 C HIS A 66 -12.393 -15.158 -18.152 1.00 0.15 C ATOM 1005 O HIS A 66 -12.949 -14.390 -18.939 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.851 -14.944 -15.714 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.401 -14.555 -14.339 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.594 -15.338 -13.543 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.673 -13.440 -13.613 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.414 -14.694 -12.385 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.048 -13.538 -12.376 1.00 0.91 N ATOM 0 H HIS A 66 -12.360 -12.639 -17.156 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.898 -15.151 -16.611 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.782 -14.423 -15.938 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.073 -16.011 -15.721 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.279 -12.609 -13.944 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -10.825 -15.072 -11.563 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.074 -12.856 -11.618 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.243 -16.467 -18.422 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.834 -17.097 -19.602 1.00 0.14 C ATOM 1021 C PRO A 67 -14.353 -17.164 -19.497 1.00 0.15 C ATOM 1022 O PRO A 67 -14.891 -17.631 -18.495 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.235 -18.505 -19.599 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.880 -18.763 -18.177 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.478 -17.433 -17.608 1.00 0.19 C ATOM 0 HA PRO A 67 -12.625 -16.542 -20.516 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -12.950 -19.240 -19.968 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.357 -18.563 -20.243 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.726 -19.182 -17.632 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.065 -19.483 -18.102 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.730 -17.356 -16.550 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.404 -17.268 -17.693 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.039 -16.702 -20.528 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.486 -16.687 -20.505 1.00 0.18 C ATOM 1035 C GLY A 68 -17.036 -15.308 -20.227 1.00 0.18 C ATOM 1036 O GLY A 68 -18.229 -15.065 -20.403 1.00 0.22 O ATOM 0 H GLY A 68 -14.620 -16.336 -21.383 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -16.867 -17.042 -21.462 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -16.843 -17.380 -19.743 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.168 -14.405 -19.789 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.566 -13.023 -19.539 1.00 0.20 C ATOM 1042 C ASP A 69 -16.570 -12.232 -20.839 1.00 0.13 C ATOM 1043 O ASP A 69 -15.830 -12.560 -21.772 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.612 -12.339 -18.554 1.00 0.27 C ATOM 1045 CG ASP A 69 -15.723 -12.850 -17.131 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.650 -13.630 -16.839 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -14.882 -12.447 -16.295 1.00 1.09 O ATOM 0 H ASP A 69 -15.185 -14.603 -19.599 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.568 -13.045 -19.110 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.588 -12.478 -18.900 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.807 -11.267 -18.560 1.00 0.27 H new ATOM 1052 N THR A 70 -17.399 -11.197 -20.907 1.00 0.13 N ATOM 1053 CA THR A 70 -17.395 -10.310 -22.058 1.00 0.11 C ATOM 1054 C THR A 70 -16.195 -9.384 -21.966 1.00 0.10 C ATOM 1055 O THR A 70 -15.868 -8.890 -20.882 1.00 0.14 O ATOM 1056 CB THR A 70 -18.675 -9.454 -22.131 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.823 -10.243 -21.782 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.856 -8.892 -23.530 1.00 0.15 C ATOM 0 H THR A 70 -18.076 -10.955 -20.184 1.00 0.13 H new ATOM 0 HA THR A 70 -17.347 -10.928 -22.955 1.00 0.11 H new ATOM 0 HB THR A 70 -18.576 -8.631 -21.424 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.629 -9.687 -21.831 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.764 -8.290 -23.566 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.998 -8.270 -23.786 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.936 -9.712 -24.244 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.523 -9.163 -23.079 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.377 -8.275 -23.092 1.00 0.12 C ATOM 1068 C VAL A 71 -14.369 -7.406 -24.338 1.00 0.12 C ATOM 1069 O VAL A 71 -15.080 -7.683 -25.309 1.00 0.16 O ATOM 1070 CB VAL A 71 -13.037 -9.044 -23.017 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.908 -9.790 -21.697 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.896 -9.995 -24.195 1.00 0.24 C ATOM 0 H VAL A 71 -15.749 -9.583 -23.981 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.471 -7.649 -22.204 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.227 -8.317 -23.069 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.957 -10.322 -21.671 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.949 -9.079 -20.872 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.726 -10.504 -21.601 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.947 -10.526 -24.123 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.715 -10.714 -24.182 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.925 -9.428 -25.126 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.578 -6.350 -24.294 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.325 -5.553 -25.472 1.00 0.14 C ATOM 1084 C GLU A 72 -11.860 -5.715 -25.819 1.00 0.14 C ATOM 1085 O GLU A 72 -11.029 -5.965 -24.943 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.667 -4.064 -25.273 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.489 -3.221 -24.818 1.00 0.33 C ATOM 1088 CD GLU A 72 -12.796 -1.737 -24.759 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.190 -0.976 -25.548 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -13.627 -1.330 -23.925 1.00 0.78 O ATOM 0 H GLU A 72 -13.101 -6.027 -23.452 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.969 -5.901 -26.280 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.050 -3.660 -26.210 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.468 -3.980 -24.538 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -12.170 -3.558 -23.831 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -11.652 -3.384 -25.496 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.557 -5.604 -27.082 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.215 -5.812 -27.563 1.00 0.08 C ATOM 1099 C PHE A 73 -10.043 -5.095 -28.875 1.00 0.07 C ATOM 1100 O PHE A 73 -10.965 -4.461 -29.367 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.907 -7.303 -27.723 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.904 -8.041 -28.566 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.666 -8.279 -29.907 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.081 -8.503 -28.008 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.589 -8.958 -30.676 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -13.003 -9.182 -28.770 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.758 -9.413 -30.105 1.00 0.10 C ATOM 0 H PHE A 73 -12.232 -5.367 -27.809 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.514 -5.410 -26.832 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.917 -7.414 -28.166 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.868 -7.764 -26.736 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.748 -7.930 -30.357 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.279 -8.329 -26.961 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.396 -9.133 -31.724 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.920 -9.534 -28.321 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.480 -9.949 -30.703 1.00 0.10 H new ATOM 1117 N SER A 74 -8.871 -5.189 -29.436 1.00 0.09 N ATOM 1118 CA SER A 74 -8.579 -4.494 -30.658 1.00 0.10 C ATOM 1119 C SER A 74 -7.976 -5.468 -31.640 1.00 0.12 C ATOM 1120 O SER A 74 -6.892 -5.995 -31.403 1.00 0.19 O ATOM 1121 CB SER A 74 -7.616 -3.340 -30.375 1.00 0.15 C ATOM 1122 OG SER A 74 -8.033 -2.604 -29.234 1.00 0.86 O ATOM 0 H SER A 74 -8.099 -5.743 -29.065 1.00 0.09 H new ATOM 0 HA SER A 74 -9.492 -4.079 -31.084 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.611 -3.730 -30.214 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.567 -2.680 -31.241 1.00 0.15 H new ATOM 0 HG SER A 74 -7.403 -1.872 -29.069 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.694 -5.732 -32.717 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.257 -6.715 -33.681 1.00 0.19 C ATOM 1130 C VAL A 75 -7.320 -6.081 -34.702 1.00 0.20 C ATOM 1131 O VAL A 75 -7.741 -5.433 -35.660 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.470 -7.407 -34.359 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.382 -6.415 -35.068 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.008 -8.491 -35.317 1.00 0.36 C ATOM 0 H VAL A 75 -9.580 -5.279 -32.942 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.698 -7.491 -33.157 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.056 -7.869 -33.564 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.215 -6.949 -35.526 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.766 -5.694 -34.346 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.819 -5.891 -35.840 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.876 -8.961 -35.780 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.379 -8.049 -36.090 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.437 -9.241 -34.770 1.00 0.36 H new ATOM 1144 N VAL A 76 -6.033 -6.252 -34.465 1.00 0.19 N ATOM 1145 CA VAL A 76 -5.026 -5.749 -35.371 1.00 0.26 C ATOM 1146 C VAL A 76 -4.427 -6.910 -36.153 1.00 0.25 C ATOM 1147 O VAL A 76 -3.858 -7.838 -35.572 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.922 -4.953 -34.622 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.331 -5.763 -33.473 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.827 -4.509 -35.584 1.00 0.42 C ATOM 0 H VAL A 76 -5.662 -6.738 -33.648 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.500 -5.053 -36.064 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.389 -4.065 -34.197 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.562 -5.175 -32.971 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -4.118 -6.013 -32.762 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.890 -6.680 -33.864 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -2.065 -3.954 -35.037 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.374 -5.385 -36.049 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -3.257 -3.871 -36.356 1.00 0.42 H new ATOM 1160 N THR A 77 -4.610 -6.882 -37.462 1.00 0.34 N ATOM 1161 CA THR A 77 -4.111 -7.939 -38.318 1.00 0.38 C ATOM 1162 C THR A 77 -2.598 -7.845 -38.467 1.00 0.44 C ATOM 1163 O THR A 77 -2.053 -6.799 -38.824 1.00 0.56 O ATOM 1164 CB THR A 77 -4.779 -7.909 -39.706 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.207 -7.921 -39.553 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.346 -9.109 -40.540 1.00 0.62 C ATOM 0 H THR A 77 -5.102 -6.136 -37.954 1.00 0.34 H new ATOM 0 HA THR A 77 -4.363 -8.886 -37.841 1.00 0.38 H new ATOM 0 HB THR A 77 -4.470 -6.999 -40.220 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.454 -8.539 -38.833 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.830 -9.067 -41.516 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.264 -9.090 -40.670 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.634 -10.029 -40.031 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.939 -8.952 -38.178 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.501 -9.056 -38.283 1.00 0.57 C ATOM 1176 C ASN A 78 -0.084 -9.029 -39.741 1.00 0.66 C ATOM 1177 O ASN A 78 -0.392 -9.952 -40.487 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.034 -10.369 -37.649 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.161 -10.390 -36.136 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.455 -11.433 -35.548 1.00 1.82 O ATOM 1181 ND2 ASN A 78 0.080 -9.256 -35.491 1.00 1.54 N ATOM 0 H ASN A 78 -2.393 -9.809 -37.862 1.00 0.44 H new ATOM 0 HA ASN A 78 -0.046 -8.213 -37.762 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.615 -11.191 -38.066 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.007 -10.544 -37.921 1.00 0.64 H new ATOM 0 HD21 ASN A 78 0.025 -9.227 -34.473 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.320 -8.413 -36.013 1.00 1.54 H new ATOM 1188 N GLN A 79 0.617 -7.984 -40.147 1.00 0.79 N ATOM 1189 CA GLN A 79 1.093 -7.884 -41.524 1.00 0.91 C ATOM 1190 C GLN A 79 2.118 -8.979 -41.814 1.00 0.94 C ATOM 1191 O GLN A 79 2.416 -9.287 -42.968 1.00 1.06 O ATOM 1192 CB GLN A 79 1.695 -6.502 -41.788 1.00 1.09 C ATOM 1193 CG GLN A 79 2.943 -6.203 -40.971 1.00 1.18 C ATOM 1194 CD GLN A 79 3.485 -4.807 -41.218 1.00 1.43 C ATOM 1195 OE1 GLN A 79 3.316 -4.241 -42.296 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.138 -4.240 -40.217 1.00 1.90 N ATOM 0 H GLN A 79 0.870 -7.196 -39.551 1.00 0.79 H new ATOM 0 HA GLN A 79 0.243 -8.020 -42.192 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.939 -6.420 -42.847 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.943 -5.743 -41.574 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.714 -6.317 -39.911 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.714 -6.935 -41.212 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.258 -4.742 -39.337 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.522 -3.301 -40.325 1.00 1.90 H new ATOM 1205 N ARG A 80 2.643 -9.567 -40.750 1.00 0.93 N ATOM 1206 CA ARG A 80 3.629 -10.629 -40.861 1.00 1.03 C ATOM 1207 C ARG A 80 2.967 -12.012 -40.897 1.00 1.02 C ATOM 1208 O ARG A 80 3.401 -12.897 -41.630 1.00 1.21 O ATOM 1209 CB ARG A 80 4.594 -10.544 -39.676 1.00 1.18 C ATOM 1210 CG ARG A 80 5.625 -11.665 -39.626 1.00 1.35 C ATOM 1211 CD ARG A 80 6.590 -11.610 -40.799 1.00 1.67 C ATOM 1212 NE ARG A 80 7.521 -10.484 -40.707 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.216 -10.009 -41.743 1.00 3.02 C ATOM 1214 NH1 ARG A 80 8.035 -10.518 -42.956 1.00 3.01 N ATOM 1215 NH2 ARG A 80 9.087 -9.023 -41.563 1.00 3.99 N ATOM 0 H ARG A 80 2.399 -9.323 -39.790 1.00 0.93 H new ATOM 0 HA ARG A 80 4.172 -10.498 -41.797 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.116 -9.588 -39.715 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.017 -10.555 -38.751 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.185 -11.600 -38.693 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.113 -12.627 -39.624 1.00 1.35 H new ATOM 0 HD2 ARG A 80 7.155 -12.541 -40.845 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.024 -11.534 -41.728 1.00 1.67 H new ATOM 0 HE ARG A 80 7.646 -10.037 -39.799 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.364 -11.273 -43.097 1.00 3.01 H new ATOM 0 HH12 ARG A 80 8.567 -10.154 -43.746 1.00 3.01 H new ATOM 0 HH21 ARG A 80 9.225 -8.628 -40.633 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.618 -8.660 -42.355 1.00 3.99 H new ATOM 1229 N ASN A 81 1.912 -12.189 -40.113 1.00 0.91 N ATOM 1230 CA ASN A 81 1.318 -13.513 -39.930 1.00 1.01 C ATOM 1231 C ASN A 81 0.030 -13.678 -40.724 1.00 0.87 C ATOM 1232 O ASN A 81 -0.347 -14.793 -41.079 1.00 1.04 O ATOM 1233 CB ASN A 81 1.044 -13.776 -38.443 1.00 1.16 C ATOM 1234 CG ASN A 81 2.316 -13.870 -37.613 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.354 -14.468 -38.175 1.00 1.95 O flip ATOM 1236 ND2 ASN A 81 2.351 -13.434 -36.461 1.00 2.21 N flip ATOM 0 H ASN A 81 1.450 -11.441 -39.596 1.00 0.91 H new ATOM 0 HA ASN A 81 2.038 -14.241 -40.305 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.417 -12.977 -38.048 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.481 -14.704 -38.341 1.00 1.16 H new ATOM 0 HD21 ASN A 81 1.530 -12.979 -36.063 1.00 2.21 H new ATOM 0 HD22 ASN A 81 3.201 -13.528 -35.906 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.648 -12.570 -40.986 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.917 -12.617 -41.694 1.00 0.69 C ATOM 1245 C GLY A 82 -3.093 -12.741 -40.745 1.00 0.52 C ATOM 1246 O GLY A 82 -4.222 -12.382 -41.084 1.00 0.58 O ATOM 0 H GLY A 82 -0.343 -11.634 -40.721 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.030 -11.715 -42.295 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.917 -13.462 -42.383 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.822 -13.255 -39.553 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.839 -13.366 -38.524 1.00 0.39 C ATOM 1252 C LYS A 83 -3.822 -12.119 -37.669 1.00 0.35 C ATOM 1253 O LYS A 83 -2.959 -11.277 -37.835 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.599 -14.590 -37.636 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.283 -14.536 -36.881 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.286 -15.439 -35.658 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.082 -15.170 -34.769 1.00 1.61 C ATOM 1258 NZ LYS A 83 -1.068 -13.773 -34.241 1.00 2.42 N ATOM 0 H LYS A 83 -1.903 -13.602 -39.277 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.808 -13.479 -39.010 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.417 -14.677 -36.921 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.619 -15.488 -38.254 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.472 -14.831 -37.547 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.085 -13.510 -36.572 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -3.203 -15.282 -35.090 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.282 -16.482 -35.974 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -1.085 -15.871 -33.935 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.168 -15.352 -35.334 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -0.343 -13.689 -33.500 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.852 -13.112 -35.014 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -2.000 -13.544 -33.840 1.00 2.42 H new ATOM 1272 N SER A 84 -4.753 -12.004 -36.750 1.00 0.31 N ATOM 1273 CA SER A 84 -4.805 -10.840 -35.891 1.00 0.25 C ATOM 1274 C SER A 84 -4.523 -11.227 -34.444 1.00 0.24 C ATOM 1275 O SER A 84 -4.284 -12.399 -34.142 1.00 0.30 O ATOM 1276 CB SER A 84 -6.168 -10.167 -36.017 1.00 0.27 C ATOM 1277 OG SER A 84 -6.468 -9.892 -37.377 1.00 1.08 O ATOM 0 H SER A 84 -5.481 -12.697 -36.577 1.00 0.31 H new ATOM 0 HA SER A 84 -4.035 -10.134 -36.204 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.938 -10.811 -35.593 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.176 -9.240 -35.443 1.00 0.27 H new ATOM 0 HG SER A 84 -7.378 -9.536 -37.446 1.00 1.08 H new ATOM 1283 N SER A 85 -4.544 -10.234 -33.570 1.00 0.20 N ATOM 1284 CA SER A 85 -4.322 -10.439 -32.148 1.00 0.20 C ATOM 1285 C SER A 85 -5.151 -9.432 -31.357 1.00 0.18 C ATOM 1286 O SER A 85 -5.384 -8.317 -31.826 1.00 0.26 O ATOM 1287 CB SER A 85 -2.833 -10.281 -31.810 1.00 0.25 C ATOM 1288 OG SER A 85 -2.021 -11.146 -32.593 1.00 0.87 O ATOM 0 H SER A 85 -4.716 -9.262 -33.827 1.00 0.20 H new ATOM 0 HA SER A 85 -4.628 -11.450 -31.880 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.530 -9.247 -31.977 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.676 -10.493 -30.752 1.00 0.25 H new ATOM 0 HG SER A 85 -1.998 -12.035 -32.181 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.620 -9.828 -30.180 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.428 -8.959 -29.353 1.00 0.12 C ATOM 1296 C ALA A 86 -5.547 -8.085 -28.480 1.00 0.13 C ATOM 1297 O ALA A 86 -4.794 -8.576 -27.644 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.387 -9.771 -28.499 1.00 0.13 C ATOM 0 H ALA A 86 -5.450 -10.751 -29.781 1.00 0.14 H new ATOM 0 HA ALA A 86 -7.015 -8.313 -30.006 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.985 -9.099 -27.884 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.044 -10.354 -29.144 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.820 -10.444 -27.855 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.643 -6.791 -28.692 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.904 -5.828 -27.899 1.00 0.17 C ATOM 1306 C CYS A 87 -5.878 -4.957 -27.127 1.00 0.17 C ATOM 1307 O CYS A 87 -7.002 -4.745 -27.580 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.033 -4.968 -28.815 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.656 -5.868 -29.554 1.00 0.68 S ATOM 0 H CYS A 87 -6.232 -6.376 -29.414 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.259 -6.351 -27.193 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.654 -4.554 -29.609 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.642 -4.126 -28.245 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.972 -5.066 -30.316 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.463 -4.478 -25.957 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.334 -3.666 -25.114 1.00 0.20 C ATOM 1317 C ASN A 88 -7.555 -4.498 -24.703 1.00 0.18 C ATOM 1318 O ASN A 88 -8.693 -4.148 -25.007 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.743 -2.393 -25.885 1.00 0.27 C ATOM 1320 CG ASN A 88 -7.391 -1.300 -25.041 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -8.196 -1.669 -24.062 1.00 1.82 O flip ATOM 1322 ND2 ASN A 88 -7.210 -0.115 -25.318 1.00 1.60 N flip ATOM 0 H ASN A 88 -4.532 -4.638 -25.573 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.814 -3.359 -24.207 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.857 -1.980 -26.367 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.435 -2.675 -26.678 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -6.582 0.140 -26.080 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -7.688 0.612 -24.786 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.295 -5.618 -24.030 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.347 -6.527 -23.596 1.00 0.15 C ATOM 1331 C VAL A 89 -8.918 -6.069 -22.266 1.00 0.19 C ATOM 1332 O VAL A 89 -8.311 -6.273 -21.215 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.833 -7.982 -23.451 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.947 -8.899 -22.969 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.269 -8.498 -24.760 1.00 0.14 C ATOM 0 H VAL A 89 -6.354 -5.917 -23.773 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.121 -6.512 -24.363 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.033 -7.977 -22.711 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.566 -9.916 -22.874 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.308 -8.555 -22.000 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.767 -8.885 -23.688 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.917 -9.521 -24.626 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.046 -8.479 -25.524 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.438 -7.866 -25.072 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.074 -5.432 -22.317 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.704 -4.907 -21.116 1.00 0.16 C ATOM 1347 C LEU A 90 -11.897 -5.743 -20.704 1.00 0.11 C ATOM 1348 O LEU A 90 -12.611 -6.289 -21.540 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.131 -3.450 -21.317 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.238 -2.394 -20.659 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -8.774 -2.603 -21.022 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -10.706 -1.011 -21.078 1.00 1.12 C ATOM 0 H LEU A 90 -10.597 -5.265 -23.177 1.00 0.11 H new ATOM 0 HA LEU A 90 -9.964 -4.951 -20.317 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.171 -3.248 -22.387 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.144 -3.332 -20.932 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.319 -2.490 -19.576 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.167 -1.837 -20.539 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -8.452 -3.588 -20.684 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -8.654 -2.533 -22.103 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -10.073 -0.256 -20.612 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -10.643 -0.918 -22.162 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -11.739 -0.865 -20.761 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.102 -5.841 -19.402 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.206 -6.606 -18.864 1.00 0.18 C ATOM 1366 C LYS A 91 -14.517 -5.851 -19.027 1.00 0.18 C ATOM 1367 O LYS A 91 -14.703 -4.775 -18.464 1.00 0.32 O ATOM 1368 CB LYS A 91 -12.958 -6.930 -17.393 1.00 0.27 C ATOM 1369 CG LYS A 91 -12.582 -8.382 -17.154 1.00 0.45 C ATOM 1370 CD LYS A 91 -13.727 -9.306 -17.528 1.00 0.59 C ATOM 1371 CE LYS A 91 -14.870 -9.204 -16.533 1.00 0.71 C ATOM 1372 NZ LYS A 91 -14.619 -10.036 -15.323 1.00 1.33 N ATOM 0 H LYS A 91 -11.513 -5.397 -18.697 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.279 -7.540 -19.421 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.161 -6.289 -17.016 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.855 -6.695 -16.820 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -11.699 -8.635 -17.741 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.320 -8.526 -16.106 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.088 -9.055 -18.526 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -13.368 -10.334 -17.568 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.005 -8.163 -16.238 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.797 -9.523 -17.009 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.178 -9.668 -14.527 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -14.896 -11.020 -15.515 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -13.608 -10.002 -15.082 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.421 -6.433 -19.788 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.675 -5.784 -20.097 1.00 0.18 C ATOM 1388 C ILE A 92 -17.812 -6.376 -19.284 1.00 0.27 C ATOM 1389 O ILE A 92 -18.031 -7.589 -19.278 1.00 0.28 O ATOM 1390 CB ILE A 92 -16.997 -5.893 -21.604 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -15.962 -5.121 -22.425 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.402 -5.390 -21.906 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -15.930 -3.640 -22.121 1.00 0.16 C ATOM 0 H ILE A 92 -15.308 -7.357 -20.204 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.571 -4.731 -19.835 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.953 -6.946 -21.884 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -14.974 -5.543 -22.238 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.174 -5.261 -23.485 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.599 -5.480 -22.974 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.128 -5.985 -21.352 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.486 -4.345 -21.608 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.173 -3.158 -22.740 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.906 -3.204 -22.335 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.688 -3.490 -21.069 1.00 0.16 H new