USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1009 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 114 LYS NZ :NH3+ -139:sc= 0.888 (180deg=0) USER MOD Set 1.2: A 115 TYR OH : rot 15:sc= 0.769 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.709 K(o=0.71,f=-0.019) USER MOD Single : A 27 TYR OH : rot -77:sc= 0.224 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.0217 (180deg=-0.131) USER MOD Single : A 44 SER OG : rot 88:sc= 0.858 USER MOD Single : A 46 MET CE :methyl -177:sc= -4.66! (180deg=-4.76!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.6) USER MOD Single : A 59 MET CE :methyl 167:sc= -0.0186 (180deg=-0.292) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.0602 (180deg=-0.375) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.283 USER MOD Single : A 74 THR OG1 : rot -79:sc= 0.957 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.293 K(o=-0.29,f=-0.89) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 144:sc= -1.52! (180deg=-3.44!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= -0.0271 (180deg=-0.162) USER MOD Single : A 96 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.34) USER MOD Single : A 99 THR OG1 : rot -25:sc= 0.168 USER MOD Single : A 100 SER OG : rot -35:sc= 0.9 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 70:sc= 0.827 USER MOD Single : A 110 THR OG1 : rot 128:sc= 0.45 USER MOD Single : A 111 GLN : amide:sc= -0.715 K(o=-0.72,f=-2.9!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0.794 USER MOD Single : A 113 MET CE :methyl 178:sc= -5! (180deg=-5.11!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 30:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 130:sc= 0.0184 USER MOD Single : A 128 ASN : amide:sc= 0.0645 X(o=0.064,f=0) USER MOD Single : A 130 ASN : amide:sc=-0.00531 K(o=-0.0053,f=-0.99) USER MOD Single : A 133 GLN : amide:sc= 0.0622 X(o=0.062,f=-0.07) USER MOD Single : A 138 SER OG : rot 69:sc= 0.983 USER MOD Single : A 139 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -4.748 -16.851 1.113 1.00 3.00 N ATOM 351 CA PHE A 23 -4.500 -17.891 2.125 1.00 3.25 C ATOM 352 C PHE A 23 -4.348 -17.322 3.553 1.00 50.01 C ATOM 353 O PHE A 23 -4.107 -16.127 3.749 1.00 45.42 O ATOM 354 CB PHE A 23 -3.267 -18.728 1.737 1.00 14.40 C ATOM 355 CG PHE A 23 -2.082 -17.920 1.252 1.00 3.40 C ATOM 356 CD1 PHE A 23 -1.260 -17.249 2.147 1.00 3.34 C ATOM 357 CD2 PHE A 23 -1.787 -17.841 -0.103 1.00 61.45 C ATOM 358 CE1 PHE A 23 -0.174 -16.518 1.701 1.00 75.31 C ATOM 359 CE2 PHE A 23 -0.702 -17.110 -0.552 1.00 61.50 C ATOM 360 CZ PHE A 23 0.104 -16.450 0.350 1.00 44.25 C ATOM 0 HA PHE A 23 -5.381 -18.532 2.143 1.00 3.25 H new ATOM 0 HB2 PHE A 23 -2.959 -19.318 2.600 1.00 14.40 H new ATOM 0 HB3 PHE A 23 -3.554 -19.432 0.956 1.00 14.40 H new ATOM 0 HD1 PHE A 23 -1.471 -17.298 3.205 1.00 3.34 H new ATOM 0 HD2 PHE A 23 -2.413 -18.357 -0.816 1.00 61.45 H new ATOM 0 HE1 PHE A 23 0.456 -16.001 2.409 1.00 75.31 H new ATOM 0 HE2 PHE A 23 -0.487 -17.057 -1.609 1.00 61.50 H new ATOM 0 HZ PHE A 23 0.952 -15.880 0.001 1.00 44.25 H new ATOM 370 N LYS A 24 -4.451 -18.208 4.545 1.00 32.43 N ATOM 371 CA LYS A 24 -4.539 -17.812 5.960 1.00 70.02 C ATOM 372 C LYS A 24 -3.289 -17.094 6.494 1.00 72.43 C ATOM 373 O LYS A 24 -3.361 -16.445 7.533 1.00 40.32 O ATOM 374 CB LYS A 24 -4.845 -19.032 6.842 1.00 71.11 C ATOM 375 CG LYS A 24 -6.325 -19.401 6.914 1.00 71.51 C ATOM 376 CD LYS A 24 -6.894 -19.788 5.553 1.00 24.21 C ATOM 377 CE LYS A 24 -8.377 -20.115 5.641 1.00 54.10 C ATOM 378 NZ LYS A 24 -8.927 -20.549 4.333 1.00 13.52 N ATOM 0 H LYS A 24 -4.476 -19.217 4.396 1.00 32.43 H new ATOM 0 HA LYS A 24 -5.355 -17.090 6.008 1.00 70.02 H new ATOM 0 HB2 LYS A 24 -4.287 -19.888 6.463 1.00 71.11 H new ATOM 0 HB3 LYS A 24 -4.482 -18.836 7.851 1.00 71.11 H new ATOM 0 HG2 LYS A 24 -6.457 -20.230 7.609 1.00 71.51 H new ATOM 0 HG3 LYS A 24 -6.888 -18.558 7.314 1.00 71.51 H new ATOM 0 HD2 LYS A 24 -6.742 -18.971 4.848 1.00 24.21 H new ATOM 0 HD3 LYS A 24 -6.353 -20.650 5.163 1.00 24.21 H new ATOM 0 HE2 LYS A 24 -8.532 -20.902 6.379 1.00 54.10 H new ATOM 0 HE3 LYS A 24 -8.922 -19.238 5.991 1.00 54.10 H new ATOM 0 HZ1 LYS A 24 -9.940 -20.762 4.436 1.00 13.52 H new ATOM 0 HZ2 LYS A 24 -8.803 -19.789 3.635 1.00 13.52 H new ATOM 0 HZ3 LYS A 24 -8.425 -21.401 4.011 1.00 13.52 H new ATOM 392 N GLN A 25 -2.157 -17.194 5.798 1.00 22.41 N ATOM 393 CA GLN A 25 -0.913 -16.561 6.272 1.00 42.44 C ATOM 394 C GLN A 25 -1.117 -15.071 6.613 1.00 71.53 C ATOM 395 O GLN A 25 -0.570 -14.577 7.599 1.00 23.35 O ATOM 396 CB GLN A 25 0.209 -16.714 5.232 1.00 55.54 C ATOM 397 CG GLN A 25 1.541 -16.083 5.643 1.00 12.14 C ATOM 398 CD GLN A 25 2.125 -16.686 6.914 1.00 24.31 C ATOM 399 OE1 GLN A 25 2.886 -17.647 6.868 1.00 51.21 O ATOM 400 NE2 GLN A 25 1.777 -16.131 8.058 1.00 42.42 N ATOM 0 H GLN A 25 -2.069 -17.698 4.916 1.00 22.41 H new ATOM 0 HA GLN A 25 -0.623 -17.076 7.188 1.00 42.44 H new ATOM 0 HB2 GLN A 25 0.367 -17.775 5.040 1.00 55.54 H new ATOM 0 HB3 GLN A 25 -0.118 -16.265 4.294 1.00 55.54 H new ATOM 0 HG2 GLN A 25 2.258 -16.201 4.830 1.00 12.14 H new ATOM 0 HG3 GLN A 25 1.398 -15.012 5.789 1.00 12.14 H new ATOM 0 HE21 GLN A 25 1.142 -15.333 8.065 1.00 42.42 H new ATOM 0 HE22 GLN A 25 2.143 -16.500 8.936 1.00 42.42 H new ATOM 409 N LEU A 26 -1.921 -14.367 5.810 1.00 65.21 N ATOM 410 CA LEU A 26 -2.206 -12.942 6.054 1.00 11.42 C ATOM 411 C LEU A 26 -3.030 -12.740 7.339 1.00 10.33 C ATOM 412 O LEU A 26 -2.927 -11.708 8.005 1.00 32.34 O ATOM 413 CB LEU A 26 -2.957 -12.332 4.861 1.00 33.42 C ATOM 414 CG LEU A 26 -2.179 -12.295 3.537 1.00 12.15 C ATOM 415 CD1 LEU A 26 -3.038 -11.695 2.427 1.00 54.43 C ATOM 416 CD2 LEU A 26 -0.873 -11.513 3.696 1.00 13.14 C ATOM 0 H LEU A 26 -2.386 -14.754 4.989 1.00 65.21 H new ATOM 0 HA LEU A 26 -1.248 -12.436 6.178 1.00 11.42 H new ATOM 0 HB2 LEU A 26 -3.876 -12.897 4.706 1.00 33.42 H new ATOM 0 HB3 LEU A 26 -3.248 -11.314 5.120 1.00 33.42 H new ATOM 0 HG LEU A 26 -1.928 -13.319 3.259 1.00 12.15 H new ATOM 0 HD11 LEU A 26 -2.470 -11.677 1.497 1.00 54.43 H new ATOM 0 HD12 LEU A 26 -3.934 -12.300 2.293 1.00 54.43 H new ATOM 0 HD13 LEU A 26 -3.324 -10.678 2.697 1.00 54.43 H new ATOM 0 HD21 LEU A 26 -0.339 -11.500 2.746 1.00 13.14 H new ATOM 0 HD22 LEU A 26 -1.096 -10.491 4.001 1.00 13.14 H new ATOM 0 HD23 LEU A 26 -0.253 -11.991 4.454 1.00 13.14 H new ATOM 428 N TYR A 27 -3.850 -13.730 7.676 1.00 53.42 N ATOM 429 CA TYR A 27 -4.706 -13.670 8.868 1.00 5.34 C ATOM 430 C TYR A 27 -3.927 -14.101 10.123 1.00 55.44 C ATOM 431 O TYR A 27 -4.047 -13.494 11.194 1.00 1.55 O ATOM 432 CB TYR A 27 -5.929 -14.587 8.692 1.00 3.01 C ATOM 433 CG TYR A 27 -6.703 -14.379 7.396 1.00 44.22 C ATOM 434 CD1 TYR A 27 -6.182 -14.807 6.178 1.00 74.52 C ATOM 435 CD2 TYR A 27 -7.959 -13.780 7.391 1.00 31.23 C ATOM 436 CE1 TYR A 27 -6.883 -14.645 5.000 1.00 34.32 C ATOM 437 CE2 TYR A 27 -8.672 -13.619 6.213 1.00 41.43 C ATOM 438 CZ TYR A 27 -8.128 -14.054 5.021 1.00 22.11 C ATOM 439 OH TYR A 27 -8.835 -13.912 3.843 1.00 62.24 O ATOM 0 H TYR A 27 -3.944 -14.592 7.139 1.00 53.42 H new ATOM 0 HA TYR A 27 -5.037 -12.639 8.992 1.00 5.34 H new ATOM 0 HB2 TYR A 27 -5.597 -15.624 8.738 1.00 3.01 H new ATOM 0 HB3 TYR A 27 -6.606 -14.431 9.532 1.00 3.01 H new ATOM 0 HD1 TYR A 27 -5.209 -15.275 6.154 1.00 74.52 H new ATOM 0 HD2 TYR A 27 -8.386 -13.435 8.321 1.00 31.23 H new ATOM 0 HE1 TYR A 27 -6.458 -14.980 4.066 1.00 34.32 H new ATOM 0 HE2 TYR A 27 -9.648 -13.156 6.228 1.00 41.43 H new ATOM 0 HH TYR A 27 -8.468 -13.163 3.329 1.00 62.24 H new ATOM 449 N GLU A 28 -3.112 -15.142 9.966 1.00 62.42 N ATOM 450 CA GLU A 28 -2.388 -15.761 11.084 1.00 71.22 C ATOM 451 C GLU A 28 -1.133 -14.975 11.494 1.00 52.33 C ATOM 452 O GLU A 28 -0.410 -15.399 12.395 1.00 12.23 O ATOM 453 CB GLU A 28 -1.984 -17.195 10.713 1.00 4.14 C ATOM 454 CG GLU A 28 -3.155 -18.111 10.376 1.00 54.30 C ATOM 455 CD GLU A 28 -2.709 -19.535 10.083 1.00 53.32 C ATOM 456 OE1 GLU A 28 -2.383 -19.841 8.916 1.00 74.14 O ATOM 457 OE2 GLU A 28 -2.664 -20.355 11.027 1.00 21.40 O ATOM 0 H GLU A 28 -2.932 -15.582 9.064 1.00 62.42 H new ATOM 0 HA GLU A 28 -3.068 -15.760 11.936 1.00 71.22 H new ATOM 0 HB2 GLU A 28 -1.308 -17.160 9.858 1.00 4.14 H new ATOM 0 HB3 GLU A 28 -1.426 -17.629 11.543 1.00 4.14 H new ATOM 0 HG2 GLU A 28 -3.859 -18.117 11.208 1.00 54.30 H new ATOM 0 HG3 GLU A 28 -3.687 -17.714 9.511 1.00 54.30 H new ATOM 464 N LEU A 29 -0.869 -13.841 10.840 1.00 44.25 N ATOM 465 CA LEU A 29 0.296 -13.005 11.179 1.00 45.42 C ATOM 466 C LEU A 29 0.395 -12.778 12.697 1.00 20.33 C ATOM 467 O LEU A 29 1.453 -12.966 13.301 1.00 34.45 O ATOM 468 CB LEU A 29 0.215 -11.649 10.458 1.00 34.40 C ATOM 469 CG LEU A 29 0.266 -11.710 8.922 1.00 65.15 C ATOM 470 CD1 LEU A 29 0.134 -10.310 8.320 1.00 41.51 C ATOM 471 CD2 LEU A 29 1.554 -12.386 8.450 1.00 34.22 C ATOM 0 H LEU A 29 -1.440 -13.478 10.076 1.00 44.25 H new ATOM 0 HA LEU A 29 1.189 -13.535 10.849 1.00 45.42 H new ATOM 0 HB2 LEU A 29 -0.711 -11.155 10.754 1.00 34.40 H new ATOM 0 HB3 LEU A 29 1.036 -11.023 10.807 1.00 34.40 H new ATOM 0 HG LEU A 29 -0.577 -12.308 8.576 1.00 65.15 H new ATOM 0 HD11 LEU A 29 0.173 -10.376 7.233 1.00 41.51 H new ATOM 0 HD12 LEU A 29 -0.817 -9.872 8.623 1.00 41.51 H new ATOM 0 HD13 LEU A 29 0.952 -9.683 8.674 1.00 41.51 H new ATOM 0 HD21 LEU A 29 1.570 -12.419 7.361 1.00 34.22 H new ATOM 0 HD22 LEU A 29 2.414 -11.821 8.808 1.00 34.22 H new ATOM 0 HD23 LEU A 29 1.598 -13.401 8.844 1.00 34.22 H new ATOM 483 N ASP A 30 -0.712 -12.346 13.294 1.00 11.01 N ATOM 484 CA ASP A 30 -0.813 -12.198 14.751 1.00 34.14 C ATOM 485 C ASP A 30 -1.915 -13.101 15.334 1.00 4.22 C ATOM 486 O ASP A 30 -1.950 -13.354 16.539 1.00 62.42 O ATOM 487 CB ASP A 30 -1.110 -10.740 15.103 1.00 5.22 C ATOM 488 CG ASP A 30 -0.111 -9.785 14.485 1.00 64.52 C ATOM 489 OD1 ASP A 30 0.918 -9.495 15.124 1.00 34.13 O ATOM 490 OD2 ASP A 30 -0.351 -9.329 13.352 1.00 13.34 O ATOM 0 H ASP A 30 -1.561 -12.089 12.790 1.00 11.01 H new ATOM 0 HA ASP A 30 0.140 -12.499 15.186 1.00 34.14 H new ATOM 0 HB2 ASP A 30 -2.113 -10.483 14.763 1.00 5.22 H new ATOM 0 HB3 ASP A 30 -1.101 -10.621 16.186 1.00 5.22 H new ATOM 495 N GLY A 31 -2.807 -13.595 14.468 1.00 54.43 N ATOM 496 CA GLY A 31 -4.028 -14.243 14.940 1.00 72.22 C ATOM 497 C GLY A 31 -4.968 -13.236 15.596 1.00 63.54 C ATOM 498 O GLY A 31 -5.569 -13.506 16.638 1.00 31.11 O ATOM 0 H GLY A 31 -2.707 -13.558 13.454 1.00 54.43 H new ATOM 0 HA2 GLY A 31 -4.534 -14.725 14.104 1.00 72.22 H new ATOM 0 HA3 GLY A 31 -3.774 -15.027 15.654 1.00 72.22 H new ATOM 502 N ASP A 32 -5.090 -12.070 14.967 1.00 31.23 N ATOM 503 CA ASP A 32 -5.778 -10.914 15.553 1.00 11.43 C ATOM 504 C ASP A 32 -7.208 -10.749 14.999 1.00 20.33 C ATOM 505 O ASP A 32 -7.437 -10.917 13.797 1.00 15.01 O ATOM 506 CB ASP A 32 -4.940 -9.660 15.264 1.00 72.45 C ATOM 507 CG ASP A 32 -5.563 -8.388 15.805 1.00 30.55 C ATOM 508 OD1 ASP A 32 -5.304 -8.045 16.975 1.00 40.41 O ATOM 509 OD2 ASP A 32 -6.311 -7.730 15.060 1.00 41.01 O ATOM 0 H ASP A 32 -4.715 -11.896 14.035 1.00 31.23 H new ATOM 0 HA ASP A 32 -5.877 -11.068 16.627 1.00 11.43 H new ATOM 0 HB2 ASP A 32 -3.949 -9.785 15.699 1.00 72.45 H new ATOM 0 HB3 ASP A 32 -4.805 -9.561 14.187 1.00 72.45 H new ATOM 514 N PRO A 33 -8.189 -10.411 15.870 1.00 13.00 N ATOM 515 CA PRO A 33 -9.593 -10.187 15.458 1.00 63.34 C ATOM 516 C PRO A 33 -9.751 -9.046 14.433 1.00 52.32 C ATOM 517 O PRO A 33 -10.412 -9.211 13.407 1.00 55.52 O ATOM 518 CB PRO A 33 -10.308 -9.834 16.778 1.00 22.50 C ATOM 519 CG PRO A 33 -9.219 -9.413 17.706 1.00 23.10 C ATOM 520 CD PRO A 33 -8.017 -10.231 17.327 1.00 21.01 C ATOM 0 HA PRO A 33 -10.003 -11.063 14.955 1.00 63.34 H new ATOM 0 HB2 PRO A 33 -11.034 -9.034 16.632 1.00 22.50 H new ATOM 0 HB3 PRO A 33 -10.854 -10.691 17.173 1.00 22.50 H new ATOM 0 HG2 PRO A 33 -9.013 -8.347 17.608 1.00 23.10 H new ATOM 0 HG3 PRO A 33 -9.500 -9.590 18.744 1.00 23.10 H new ATOM 0 HD2 PRO A 33 -7.086 -9.716 17.564 1.00 21.01 H new ATOM 0 HD3 PRO A 33 -7.995 -11.186 17.853 1.00 21.01 H new ATOM 528 N LYS A 34 -9.129 -7.901 14.704 1.00 43.34 N ATOM 529 CA LYS A 34 -9.202 -6.746 13.798 1.00 55.53 C ATOM 530 C LYS A 34 -8.567 -7.068 12.438 1.00 11.22 C ATOM 531 O LYS A 34 -8.951 -6.505 11.411 1.00 14.13 O ATOM 532 CB LYS A 34 -8.494 -5.535 14.426 1.00 2.22 C ATOM 533 CG LYS A 34 -9.143 -5.027 15.713 1.00 43.13 C ATOM 534 CD LYS A 34 -10.466 -4.310 15.446 1.00 72.11 C ATOM 535 CE LYS A 34 -10.267 -3.063 14.591 1.00 41.22 C ATOM 536 NZ LYS A 34 -11.529 -2.298 14.408 1.00 52.11 N ATOM 0 H LYS A 34 -8.568 -7.743 15.541 1.00 43.34 H new ATOM 0 HA LYS A 34 -10.254 -6.510 13.640 1.00 55.53 H new ATOM 0 HB2 LYS A 34 -7.458 -5.803 14.636 1.00 2.22 H new ATOM 0 HB3 LYS A 34 -8.472 -4.724 13.699 1.00 2.22 H new ATOM 0 HG2 LYS A 34 -9.316 -5.866 16.387 1.00 43.13 H new ATOM 0 HG3 LYS A 34 -8.458 -4.347 16.220 1.00 43.13 H new ATOM 0 HD2 LYS A 34 -11.154 -4.990 14.944 1.00 72.11 H new ATOM 0 HD3 LYS A 34 -10.927 -4.032 16.394 1.00 72.11 H new ATOM 0 HE2 LYS A 34 -9.520 -2.421 15.057 1.00 41.22 H new ATOM 0 HE3 LYS A 34 -9.875 -3.352 13.616 1.00 41.22 H new ATOM 0 HZ1 LYS A 34 -11.345 -1.460 13.821 1.00 52.11 H new ATOM 0 HZ2 LYS A 34 -12.235 -2.901 13.939 1.00 52.11 H new ATOM 0 HZ3 LYS A 34 -11.891 -1.998 15.336 1.00 52.11 H new ATOM 550 N ARG A 35 -7.599 -7.983 12.444 1.00 4.51 N ATOM 551 CA ARG A 35 -6.866 -8.346 11.229 1.00 74.42 C ATOM 552 C ARG A 35 -7.779 -8.949 10.149 1.00 11.14 C ATOM 553 O ARG A 35 -7.851 -8.424 9.039 1.00 41.33 O ATOM 554 CB ARG A 35 -5.720 -9.316 11.554 1.00 65.41 C ATOM 555 CG ARG A 35 -4.818 -9.603 10.353 1.00 20.41 C ATOM 556 CD ARG A 35 -3.436 -10.130 10.758 1.00 71.52 C ATOM 557 NE ARG A 35 -2.731 -9.294 11.752 1.00 24.53 N ATOM 558 CZ ARG A 35 -2.738 -7.981 11.816 1.00 3.14 C ATOM 559 NH1 ARG A 35 -3.366 -7.255 10.953 1.00 4.42 N ATOM 560 NH2 ARG A 35 -2.073 -7.393 12.748 1.00 3.04 N ATOM 0 H ARG A 35 -7.302 -8.489 13.279 1.00 4.51 H new ATOM 0 HA ARG A 35 -6.451 -7.422 10.826 1.00 74.42 H new ATOM 0 HB2 ARG A 35 -5.118 -8.900 12.362 1.00 65.41 H new ATOM 0 HB3 ARG A 35 -6.138 -10.254 11.919 1.00 65.41 H new ATOM 0 HG2 ARG A 35 -5.304 -10.333 9.706 1.00 20.41 H new ATOM 0 HG3 ARG A 35 -4.697 -8.690 9.770 1.00 20.41 H new ATOM 0 HD2 ARG A 35 -3.548 -11.136 11.162 1.00 71.52 H new ATOM 0 HD3 ARG A 35 -2.816 -10.212 9.865 1.00 71.52 H new ATOM 0 HE ARG A 35 -2.184 -9.785 12.459 1.00 24.53 H new ATOM 0 HH11 ARG A 35 -3.878 -7.698 10.190 1.00 4.42 H new ATOM 0 HH12 ARG A 35 -3.350 -6.238 11.034 1.00 4.42 H new ATOM 0 HH21 ARG A 35 -1.548 -7.945 13.426 1.00 3.04 H new ATOM 0 HH22 ARG A 35 -2.071 -6.375 12.808 1.00 3.04 H new ATOM 574 N LYS A 36 -8.473 -10.048 10.465 1.00 72.43 N ATOM 575 CA LYS A 36 -9.334 -10.708 9.468 1.00 33.24 C ATOM 576 C LYS A 36 -10.509 -9.810 9.051 1.00 53.21 C ATOM 577 O LYS A 36 -10.983 -9.889 7.920 1.00 44.05 O ATOM 578 CB LYS A 36 -9.854 -12.077 9.952 1.00 55.14 C ATOM 579 CG LYS A 36 -10.836 -12.031 11.126 1.00 4.23 C ATOM 580 CD LYS A 36 -10.135 -12.034 12.482 1.00 70.24 C ATOM 581 CE LYS A 36 -9.310 -13.297 12.697 1.00 13.44 C ATOM 582 NZ LYS A 36 -10.145 -14.529 12.654 1.00 64.21 N ATOM 0 H LYS A 36 -8.460 -10.494 11.382 1.00 72.43 H new ATOM 0 HA LYS A 36 -8.706 -10.884 8.595 1.00 33.24 H new ATOM 0 HB2 LYS A 36 -10.339 -12.579 9.115 1.00 55.14 H new ATOM 0 HB3 LYS A 36 -9.000 -12.690 10.239 1.00 55.14 H new ATOM 0 HG2 LYS A 36 -11.453 -11.137 11.043 1.00 4.23 H new ATOM 0 HG3 LYS A 36 -11.507 -12.888 11.067 1.00 4.23 H new ATOM 0 HD2 LYS A 36 -9.487 -11.161 12.557 1.00 70.24 H new ATOM 0 HD3 LYS A 36 -10.879 -11.948 13.274 1.00 70.24 H new ATOM 0 HE2 LYS A 36 -8.536 -13.358 11.932 1.00 13.44 H new ATOM 0 HE3 LYS A 36 -8.802 -13.238 13.660 1.00 13.44 H new ATOM 0 HZ1 LYS A 36 -9.580 -15.343 12.970 1.00 64.21 H new ATOM 0 HZ2 LYS A 36 -10.967 -14.413 13.281 1.00 64.21 H new ATOM 0 HZ3 LYS A 36 -10.472 -14.693 11.681 1.00 64.21 H new ATOM 596 N GLU A 37 -10.974 -8.955 9.966 1.00 42.42 N ATOM 597 CA GLU A 37 -12.021 -7.975 9.644 1.00 2.30 C ATOM 598 C GLU A 37 -11.524 -6.985 8.580 1.00 64.25 C ATOM 599 O GLU A 37 -12.146 -6.819 7.528 1.00 24.45 O ATOM 600 CB GLU A 37 -12.461 -7.215 10.907 1.00 25.24 C ATOM 601 CG GLU A 37 -12.995 -8.117 12.018 1.00 70.12 C ATOM 602 CD GLU A 37 -13.465 -7.336 13.238 1.00 42.02 C ATOM 603 OE1 GLU A 37 -12.642 -6.630 13.860 1.00 5.04 O ATOM 604 OE2 GLU A 37 -14.665 -7.415 13.581 1.00 4.51 O ATOM 0 H GLU A 37 -10.646 -8.919 10.931 1.00 42.42 H new ATOM 0 HA GLU A 37 -12.880 -8.515 9.246 1.00 2.30 H new ATOM 0 HB2 GLU A 37 -11.614 -6.646 11.290 1.00 25.24 H new ATOM 0 HB3 GLU A 37 -13.232 -6.494 10.635 1.00 25.24 H new ATOM 0 HG2 GLU A 37 -13.823 -8.711 11.631 1.00 70.12 H new ATOM 0 HG3 GLU A 37 -12.215 -8.816 12.318 1.00 70.12 H new ATOM 611 N PHE A 38 -10.387 -6.344 8.857 1.00 42.33 N ATOM 612 CA PHE A 38 -9.749 -5.429 7.904 1.00 15.43 C ATOM 613 C PHE A 38 -9.515 -6.116 6.549 1.00 45.21 C ATOM 614 O PHE A 38 -9.786 -5.542 5.492 1.00 10.01 O ATOM 615 CB PHE A 38 -8.410 -4.929 8.473 1.00 63.33 C ATOM 616 CG PHE A 38 -7.647 -3.998 7.554 1.00 71.33 C ATOM 617 CD1 PHE A 38 -6.796 -4.502 6.577 1.00 25.44 C ATOM 618 CD2 PHE A 38 -7.774 -2.619 7.672 1.00 71.11 C ATOM 619 CE1 PHE A 38 -6.095 -3.653 5.740 1.00 22.24 C ATOM 620 CE2 PHE A 38 -7.074 -1.769 6.836 1.00 50.24 C ATOM 621 CZ PHE A 38 -6.234 -2.286 5.869 1.00 50.10 C ATOM 0 H PHE A 38 -9.885 -6.442 9.739 1.00 42.33 H new ATOM 0 HA PHE A 38 -10.417 -4.582 7.747 1.00 15.43 H new ATOM 0 HB2 PHE A 38 -8.599 -4.415 9.415 1.00 63.33 H new ATOM 0 HB3 PHE A 38 -7.782 -5.790 8.700 1.00 63.33 H new ATOM 0 HD1 PHE A 38 -6.681 -5.571 6.470 1.00 25.44 H new ATOM 0 HD2 PHE A 38 -8.428 -2.206 8.426 1.00 71.11 H new ATOM 0 HE1 PHE A 38 -5.439 -4.060 4.985 1.00 22.24 H new ATOM 0 HE2 PHE A 38 -7.184 -0.700 6.939 1.00 50.24 H new ATOM 0 HZ PHE A 38 -5.687 -1.622 5.216 1.00 50.10 H new ATOM 631 N LEU A 39 -9.000 -7.344 6.593 1.00 11.52 N ATOM 632 CA LEU A 39 -8.735 -8.118 5.376 1.00 4.31 C ATOM 633 C LEU A 39 -10.022 -8.391 4.585 1.00 61.11 C ATOM 634 O LEU A 39 -10.067 -8.175 3.376 1.00 62.22 O ATOM 635 CB LEU A 39 -8.034 -9.440 5.723 1.00 55.24 C ATOM 636 CG LEU A 39 -6.614 -9.298 6.302 1.00 74.24 C ATOM 637 CD1 LEU A 39 -6.028 -10.667 6.634 1.00 44.14 C ATOM 638 CD2 LEU A 39 -5.706 -8.541 5.332 1.00 53.12 C ATOM 0 H LEU A 39 -8.757 -7.827 7.458 1.00 11.52 H new ATOM 0 HA LEU A 39 -8.077 -7.521 4.744 1.00 4.31 H new ATOM 0 HB2 LEU A 39 -8.649 -9.981 6.442 1.00 55.24 H new ATOM 0 HB3 LEU A 39 -7.982 -10.052 4.823 1.00 55.24 H new ATOM 0 HG LEU A 39 -6.679 -8.722 7.225 1.00 74.24 H new ATOM 0 HD11 LEU A 39 -5.025 -10.544 7.042 1.00 44.14 H new ATOM 0 HD12 LEU A 39 -6.660 -11.165 7.369 1.00 44.14 H new ATOM 0 HD13 LEU A 39 -5.980 -11.272 5.728 1.00 44.14 H new ATOM 0 HD21 LEU A 39 -4.708 -8.452 5.762 1.00 53.12 H new ATOM 0 HD22 LEU A 39 -5.648 -9.084 4.389 1.00 53.12 H new ATOM 0 HD23 LEU A 39 -6.114 -7.546 5.153 1.00 53.12 H new ATOM 650 N ASP A 40 -11.068 -8.854 5.267 1.00 64.31 N ATOM 651 CA ASP A 40 -12.359 -9.103 4.618 1.00 42.05 C ATOM 652 C ASP A 40 -12.891 -7.832 3.932 1.00 55.14 C ATOM 653 O ASP A 40 -13.365 -7.881 2.795 1.00 40.13 O ATOM 654 CB ASP A 40 -13.378 -9.631 5.631 1.00 51.14 C ATOM 655 CG ASP A 40 -14.745 -9.853 5.008 1.00 24.12 C ATOM 656 OD1 ASP A 40 -14.905 -10.822 4.236 1.00 44.22 O ATOM 657 OD2 ASP A 40 -15.663 -9.048 5.274 1.00 4.24 O ATOM 0 H ASP A 40 -11.050 -9.064 6.265 1.00 64.31 H new ATOM 0 HA ASP A 40 -12.206 -9.861 3.850 1.00 42.05 H new ATOM 0 HB2 ASP A 40 -13.016 -10.569 6.052 1.00 51.14 H new ATOM 0 HB3 ASP A 40 -13.467 -8.924 6.456 1.00 51.14 H new ATOM 662 N ASP A 41 -12.813 -6.694 4.625 1.00 51.10 N ATOM 663 CA ASP A 41 -13.169 -5.403 4.022 1.00 54.34 C ATOM 664 C ASP A 41 -12.282 -5.093 2.806 1.00 2.31 C ATOM 665 O ASP A 41 -12.776 -4.676 1.762 1.00 60.10 O ATOM 666 CB ASP A 41 -13.069 -4.271 5.053 1.00 14.30 C ATOM 667 CG ASP A 41 -14.237 -4.270 6.022 1.00 63.51 C ATOM 668 OD1 ASP A 41 -15.325 -3.786 5.641 1.00 71.45 O ATOM 669 OD2 ASP A 41 -14.078 -4.752 7.162 1.00 73.23 O ATOM 0 H ASP A 41 -12.509 -6.637 5.597 1.00 51.10 H new ATOM 0 HA ASP A 41 -14.202 -5.474 3.682 1.00 54.34 H new ATOM 0 HB2 ASP A 41 -12.138 -4.371 5.610 1.00 14.30 H new ATOM 0 HB3 ASP A 41 -13.029 -3.313 4.535 1.00 14.30 H new ATOM 674 N LEU A 42 -10.977 -5.322 2.946 1.00 41.01 N ATOM 675 CA LEU A 42 -10.016 -5.069 1.864 1.00 12.02 C ATOM 676 C LEU A 42 -10.351 -5.889 0.603 1.00 13.22 C ATOM 677 O LEU A 42 -10.606 -5.329 -0.465 1.00 64.44 O ATOM 678 CB LEU A 42 -8.595 -5.408 2.343 1.00 22.31 C ATOM 679 CG LEU A 42 -7.484 -5.267 1.288 1.00 34.14 C ATOM 680 CD1 LEU A 42 -7.335 -3.814 0.841 1.00 54.42 C ATOM 681 CD2 LEU A 42 -6.161 -5.815 1.825 1.00 51.41 C ATOM 0 H LEU A 42 -10.556 -5.684 3.801 1.00 41.01 H new ATOM 0 HA LEU A 42 -10.076 -4.013 1.602 1.00 12.02 H new ATOM 0 HB2 LEU A 42 -8.353 -4.763 3.188 1.00 22.31 H new ATOM 0 HB3 LEU A 42 -8.591 -6.433 2.713 1.00 22.31 H new ATOM 0 HG LEU A 42 -7.766 -5.855 0.415 1.00 34.14 H new ATOM 0 HD11 LEU A 42 -6.543 -3.742 0.095 1.00 54.42 H new ATOM 0 HD12 LEU A 42 -8.274 -3.468 0.408 1.00 54.42 H new ATOM 0 HD13 LEU A 42 -7.082 -3.193 1.700 1.00 54.42 H new ATOM 0 HD21 LEU A 42 -5.387 -5.707 1.065 1.00 51.41 H new ATOM 0 HD22 LEU A 42 -5.873 -5.260 2.718 1.00 51.41 H new ATOM 0 HD23 LEU A 42 -6.279 -6.869 2.075 1.00 51.41 H new ATOM 693 N PHE A 43 -10.374 -7.216 0.747 1.00 33.44 N ATOM 694 CA PHE A 43 -10.647 -8.120 -0.377 1.00 24.24 C ATOM 695 C PHE A 43 -12.024 -7.849 -0.998 1.00 60.05 C ATOM 696 O PHE A 43 -12.147 -7.696 -2.215 1.00 51.24 O ATOM 697 CB PHE A 43 -10.563 -9.588 0.073 1.00 51.11 C ATOM 698 CG PHE A 43 -9.213 -9.989 0.624 1.00 15.21 C ATOM 699 CD1 PHE A 43 -8.055 -9.786 -0.115 1.00 3.24 C ATOM 700 CD2 PHE A 43 -9.104 -10.578 1.875 1.00 75.35 C ATOM 701 CE1 PHE A 43 -6.821 -10.158 0.384 1.00 12.24 C ATOM 702 CE2 PHE A 43 -7.870 -10.952 2.378 1.00 51.35 C ATOM 703 CZ PHE A 43 -6.729 -10.740 1.632 1.00 0.13 C ATOM 0 H PHE A 43 -10.206 -7.691 1.634 1.00 33.44 H new ATOM 0 HA PHE A 43 -9.886 -7.932 -1.134 1.00 24.24 H new ATOM 0 HB2 PHE A 43 -11.322 -9.767 0.835 1.00 51.11 H new ATOM 0 HB3 PHE A 43 -10.803 -10.231 -0.774 1.00 51.11 H new ATOM 0 HD1 PHE A 43 -8.120 -9.331 -1.093 1.00 3.24 H new ATOM 0 HD2 PHE A 43 -9.993 -10.747 2.464 1.00 75.35 H new ATOM 0 HE1 PHE A 43 -5.929 -9.993 -0.202 1.00 12.24 H new ATOM 0 HE2 PHE A 43 -7.800 -11.409 3.354 1.00 51.35 H new ATOM 0 HZ PHE A 43 -5.765 -11.029 2.024 1.00 0.13 H new ATOM 713 N SER A 44 -13.052 -7.777 -0.157 1.00 65.41 N ATOM 714 CA SER A 44 -14.425 -7.540 -0.631 1.00 4.55 C ATOM 715 C SER A 44 -14.546 -6.197 -1.366 1.00 24.32 C ATOM 716 O SER A 44 -15.123 -6.129 -2.451 1.00 14.13 O ATOM 717 CB SER A 44 -15.423 -7.580 0.535 1.00 42.02 C ATOM 718 OG SER A 44 -15.407 -8.839 1.192 1.00 12.31 O ATOM 0 H SER A 44 -12.968 -7.878 0.854 1.00 65.41 H new ATOM 0 HA SER A 44 -14.662 -8.340 -1.332 1.00 4.55 H new ATOM 0 HB2 SER A 44 -15.181 -6.793 1.249 1.00 42.02 H new ATOM 0 HB3 SER A 44 -16.427 -7.375 0.163 1.00 42.02 H new ATOM 0 HG SER A 44 -14.720 -8.835 1.891 1.00 12.31 H new ATOM 724 N PHE A 45 -13.994 -5.136 -0.774 1.00 52.45 N ATOM 725 CA PHE A 45 -14.060 -3.789 -1.361 1.00 53.02 C ATOM 726 C PHE A 45 -13.430 -3.739 -2.764 1.00 1.13 C ATOM 727 O PHE A 45 -14.101 -3.401 -3.743 1.00 40.23 O ATOM 728 CB PHE A 45 -13.375 -2.772 -0.430 1.00 34.30 C ATOM 729 CG PHE A 45 -13.265 -1.389 -1.018 1.00 30.23 C ATOM 730 CD1 PHE A 45 -14.400 -0.624 -1.238 1.00 35.34 C ATOM 731 CD2 PHE A 45 -12.028 -0.861 -1.363 1.00 23.11 C ATOM 732 CE1 PHE A 45 -14.303 0.635 -1.794 1.00 44.22 C ATOM 733 CE2 PHE A 45 -11.927 0.398 -1.916 1.00 0.51 C ATOM 734 CZ PHE A 45 -13.064 1.147 -2.134 1.00 1.04 C ATOM 0 H PHE A 45 -13.494 -5.180 0.114 1.00 52.45 H new ATOM 0 HA PHE A 45 -15.113 -3.528 -1.469 1.00 53.02 H new ATOM 0 HB2 PHE A 45 -13.932 -2.716 0.505 1.00 34.30 H new ATOM 0 HB3 PHE A 45 -12.376 -3.133 -0.185 1.00 34.30 H new ATOM 0 HD1 PHE A 45 -15.370 -1.017 -0.972 1.00 35.34 H new ATOM 0 HD2 PHE A 45 -11.134 -1.444 -1.196 1.00 23.11 H new ATOM 0 HE1 PHE A 45 -15.194 1.221 -1.964 1.00 44.22 H new ATOM 0 HE2 PHE A 45 -10.958 0.797 -2.178 1.00 0.51 H new ATOM 0 HZ PHE A 45 -12.987 2.132 -2.570 1.00 1.04 H new ATOM 744 N MET A 46 -12.148 -4.090 -2.868 1.00 34.42 N ATOM 745 CA MET A 46 -11.449 -4.039 -4.158 1.00 71.34 C ATOM 746 C MET A 46 -12.076 -5.013 -5.174 1.00 15.42 C ATOM 747 O MET A 46 -12.116 -4.733 -6.374 1.00 35.24 O ATOM 748 CB MET A 46 -9.948 -4.314 -3.987 1.00 45.21 C ATOM 749 CG MET A 46 -9.616 -5.682 -3.409 1.00 51.40 C ATOM 750 SD MET A 46 -7.843 -5.913 -3.184 1.00 14.53 S ATOM 751 CE MET A 46 -7.250 -5.618 -4.850 1.00 1.41 C ATOM 0 H MET A 46 -11.576 -4.409 -2.086 1.00 34.42 H new ATOM 0 HA MET A 46 -11.562 -3.029 -4.553 1.00 71.34 H new ATOM 0 HB2 MET A 46 -9.461 -4.216 -4.957 1.00 45.21 H new ATOM 0 HB3 MET A 46 -9.523 -3.548 -3.339 1.00 45.21 H new ATOM 0 HG2 MET A 46 -10.121 -5.802 -2.450 1.00 51.40 H new ATOM 0 HG3 MET A 46 -10.001 -6.458 -4.071 1.00 51.40 H new ATOM 0 HE1 MET A 46 -6.172 -5.777 -4.886 1.00 1.41 H new ATOM 0 HE2 MET A 46 -7.741 -6.306 -5.538 1.00 1.41 H new ATOM 0 HE3 MET A 46 -7.475 -4.592 -5.140 1.00 1.41 H new ATOM 761 N GLN A 47 -12.587 -6.146 -4.692 1.00 44.45 N ATOM 762 CA GLN A 47 -13.297 -7.099 -5.555 1.00 31.14 C ATOM 763 C GLN A 47 -14.532 -6.442 -6.192 1.00 63.01 C ATOM 764 O GLN A 47 -14.745 -6.533 -7.402 1.00 50.15 O ATOM 765 CB GLN A 47 -13.726 -8.340 -4.753 1.00 63.11 C ATOM 766 CG GLN A 47 -14.373 -9.434 -5.602 1.00 1.30 C ATOM 767 CD GLN A 47 -14.839 -10.632 -4.785 1.00 4.34 C ATOM 768 OE1 GLN A 47 -15.233 -10.498 -3.629 1.00 71.30 O ATOM 769 NE2 GLN A 47 -14.788 -11.811 -5.371 1.00 24.02 N ATOM 0 H GLN A 47 -12.525 -6.428 -3.714 1.00 44.45 H new ATOM 0 HA GLN A 47 -12.614 -7.407 -6.347 1.00 31.14 H new ATOM 0 HB2 GLN A 47 -12.853 -8.754 -4.249 1.00 63.11 H new ATOM 0 HB3 GLN A 47 -14.427 -8.034 -3.977 1.00 63.11 H new ATOM 0 HG2 GLN A 47 -15.225 -9.014 -6.137 1.00 1.30 H new ATOM 0 HG3 GLN A 47 -13.659 -9.771 -6.354 1.00 1.30 H new ATOM 0 HE21 GLN A 47 -14.456 -11.889 -6.332 1.00 24.02 H new ATOM 0 HE22 GLN A 47 -15.081 -12.646 -4.863 1.00 24.02 H new ATOM 778 N LYS A 48 -15.323 -5.753 -5.365 1.00 1.21 N ATOM 779 CA LYS A 48 -16.564 -5.107 -5.818 1.00 40.54 C ATOM 780 C LYS A 48 -16.306 -3.989 -6.843 1.00 33.30 C ATOM 781 O LYS A 48 -17.154 -3.718 -7.697 1.00 2.54 O ATOM 782 CB LYS A 48 -17.344 -4.557 -4.613 1.00 60.30 C ATOM 783 CG LYS A 48 -17.830 -5.650 -3.663 1.00 21.24 C ATOM 784 CD LYS A 48 -18.502 -5.087 -2.411 1.00 61.11 C ATOM 785 CE LYS A 48 -18.910 -6.199 -1.446 1.00 24.42 C ATOM 786 NZ LYS A 48 -19.617 -5.677 -0.246 1.00 15.33 N ATOM 0 H LYS A 48 -15.127 -5.626 -4.372 1.00 1.21 H new ATOM 0 HA LYS A 48 -17.159 -5.869 -6.321 1.00 40.54 H new ATOM 0 HB2 LYS A 48 -16.709 -3.862 -4.063 1.00 60.30 H new ATOM 0 HB3 LYS A 48 -18.202 -3.988 -4.972 1.00 60.30 H new ATOM 0 HG2 LYS A 48 -18.533 -6.296 -4.188 1.00 21.24 H new ATOM 0 HG3 LYS A 48 -16.985 -6.272 -3.368 1.00 21.24 H new ATOM 0 HD2 LYS A 48 -17.821 -4.400 -1.909 1.00 61.11 H new ATOM 0 HD3 LYS A 48 -19.382 -4.511 -2.697 1.00 61.11 H new ATOM 0 HE2 LYS A 48 -19.555 -6.908 -1.965 1.00 24.42 H new ATOM 0 HE3 LYS A 48 -18.022 -6.747 -1.131 1.00 24.42 H new ATOM 0 HZ1 LYS A 48 -19.873 -6.469 0.378 1.00 15.33 H new ATOM 0 HZ2 LYS A 48 -18.994 -5.020 0.266 1.00 15.33 H new ATOM 0 HZ3 LYS A 48 -20.479 -5.176 -0.542 1.00 15.33 H new ATOM 800 N ARG A 49 -15.142 -3.339 -6.771 1.00 74.11 N ATOM 801 CA ARG A 49 -14.801 -2.294 -7.748 1.00 63.32 C ATOM 802 C ARG A 49 -14.226 -2.891 -9.048 1.00 52.52 C ATOM 803 O ARG A 49 -13.977 -2.168 -10.014 1.00 12.10 O ATOM 804 CB ARG A 49 -13.817 -1.265 -7.164 1.00 32.52 C ATOM 805 CG ARG A 49 -12.397 -1.786 -6.945 1.00 13.00 C ATOM 806 CD ARG A 49 -11.388 -0.642 -6.846 1.00 3.14 C ATOM 807 NE ARG A 49 -11.414 0.191 -8.052 1.00 60.50 N ATOM 808 CZ ARG A 49 -10.724 1.287 -8.228 1.00 51.45 C ATOM 809 NH1 ARG A 49 -9.859 1.678 -7.351 1.00 44.33 N ATOM 810 NH2 ARG A 49 -10.880 1.964 -9.321 1.00 53.14 N ATOM 0 H ARG A 49 -14.429 -3.511 -6.062 1.00 74.11 H new ATOM 0 HA ARG A 49 -15.733 -1.782 -7.988 1.00 63.32 H new ATOM 0 HB2 ARG A 49 -13.774 -0.405 -7.832 1.00 32.52 H new ATOM 0 HB3 ARG A 49 -14.209 -0.909 -6.211 1.00 32.52 H new ATOM 0 HG2 ARG A 49 -12.364 -2.381 -6.033 1.00 13.00 H new ATOM 0 HG3 ARG A 49 -12.120 -2.446 -7.767 1.00 13.00 H new ATOM 0 HD2 ARG A 49 -11.612 -0.030 -5.973 1.00 3.14 H new ATOM 0 HD3 ARG A 49 -10.387 -1.048 -6.702 1.00 3.14 H new ATOM 0 HE ARG A 49 -12.020 -0.109 -8.816 1.00 60.50 H new ATOM 0 HH11 ARG A 49 -9.706 1.129 -6.505 1.00 44.33 H new ATOM 0 HH12 ARG A 49 -9.329 2.536 -7.505 1.00 44.33 H new ATOM 0 HH21 ARG A 49 -11.535 1.640 -10.032 1.00 53.14 H new ATOM 0 HH22 ARG A 49 -10.347 2.821 -9.470 1.00 53.14 H new ATOM 824 N GLY A 50 -14.009 -4.208 -9.065 1.00 1.23 N ATOM 825 CA GLY A 50 -13.551 -4.883 -10.281 1.00 74.41 C ATOM 826 C GLY A 50 -12.089 -5.331 -10.248 1.00 43.44 C ATOM 827 O GLY A 50 -11.434 -5.396 -11.292 1.00 44.22 O ATOM 0 H GLY A 50 -14.141 -4.822 -8.261 1.00 1.23 H new ATOM 0 HA2 GLY A 50 -14.181 -5.755 -10.456 1.00 74.41 H new ATOM 0 HA3 GLY A 50 -13.693 -4.212 -11.129 1.00 74.41 H new ATOM 831 N THR A 51 -11.566 -5.646 -9.059 1.00 13.12 N ATOM 832 CA THR A 51 -10.193 -6.171 -8.932 1.00 53.25 C ATOM 833 C THR A 51 -9.982 -6.936 -7.609 1.00 75.23 C ATOM 834 O THR A 51 -9.661 -6.348 -6.580 1.00 44.24 O ATOM 835 CB THR A 51 -9.116 -5.052 -9.064 1.00 41.32 C ATOM 836 OG1 THR A 51 -7.805 -5.580 -8.788 1.00 54.44 O ATOM 837 CG2 THR A 51 -9.401 -3.877 -8.129 1.00 64.44 C ATOM 0 H THR A 51 -12.064 -5.549 -8.174 1.00 13.12 H new ATOM 0 HA THR A 51 -10.069 -6.868 -9.761 1.00 53.25 H new ATOM 0 HB THR A 51 -9.154 -4.687 -10.090 1.00 41.32 H new ATOM 0 HG1 THR A 51 -7.140 -4.866 -8.876 1.00 54.44 H new ATOM 0 HG21 THR A 51 -8.628 -3.119 -8.251 1.00 64.44 H new ATOM 0 HG22 THR A 51 -10.373 -3.447 -8.371 1.00 64.44 H new ATOM 0 HG23 THR A 51 -9.406 -4.227 -7.097 1.00 64.44 H new ATOM 845 N PRO A 52 -10.193 -8.268 -7.614 1.00 53.23 N ATOM 846 CA PRO A 52 -9.921 -9.118 -6.442 1.00 51.11 C ATOM 847 C PRO A 52 -8.445 -9.545 -6.355 1.00 33.13 C ATOM 848 O PRO A 52 -7.731 -9.549 -7.360 1.00 41.42 O ATOM 849 CB PRO A 52 -10.820 -10.329 -6.700 1.00 72.15 C ATOM 850 CG PRO A 52 -10.849 -10.458 -8.190 1.00 41.41 C ATOM 851 CD PRO A 52 -10.731 -9.055 -8.745 1.00 31.22 C ATOM 0 HA PRO A 52 -10.115 -8.607 -5.499 1.00 51.11 H new ATOM 0 HB2 PRO A 52 -10.420 -11.228 -6.231 1.00 72.15 H new ATOM 0 HB3 PRO A 52 -11.820 -10.175 -6.295 1.00 72.15 H new ATOM 0 HG2 PRO A 52 -10.029 -11.084 -8.541 1.00 41.41 H new ATOM 0 HG3 PRO A 52 -11.774 -10.929 -8.521 1.00 41.41 H new ATOM 0 HD2 PRO A 52 -10.065 -9.021 -9.607 1.00 31.22 H new ATOM 0 HD3 PRO A 52 -11.698 -8.673 -9.073 1.00 31.22 H new ATOM 859 N VAL A 53 -7.986 -9.909 -5.160 1.00 64.11 N ATOM 860 CA VAL A 53 -6.596 -10.342 -4.981 1.00 44.30 C ATOM 861 C VAL A 53 -6.408 -11.799 -5.438 1.00 74.25 C ATOM 862 O VAL A 53 -6.445 -12.734 -4.633 1.00 51.13 O ATOM 863 CB VAL A 53 -6.128 -10.185 -3.509 1.00 63.23 C ATOM 864 CG1 VAL A 53 -4.656 -10.583 -3.354 1.00 74.30 C ATOM 865 CG2 VAL A 53 -6.354 -8.755 -3.022 1.00 61.41 C ATOM 0 H VAL A 53 -8.546 -9.914 -4.308 1.00 64.11 H new ATOM 0 HA VAL A 53 -5.979 -9.694 -5.604 1.00 44.30 H new ATOM 0 HB VAL A 53 -6.725 -10.857 -2.892 1.00 63.23 H new ATOM 0 HG11 VAL A 53 -4.354 -10.463 -2.313 1.00 74.30 H new ATOM 0 HG12 VAL A 53 -4.527 -11.624 -3.652 1.00 74.30 H new ATOM 0 HG13 VAL A 53 -4.038 -9.945 -3.986 1.00 74.30 H new ATOM 0 HG21 VAL A 53 -6.020 -8.666 -1.988 1.00 61.41 H new ATOM 0 HG22 VAL A 53 -5.789 -8.064 -3.647 1.00 61.41 H new ATOM 0 HG23 VAL A 53 -7.415 -8.514 -3.082 1.00 61.41 H new ATOM 875 N ASN A 54 -6.248 -11.988 -6.748 1.00 25.33 N ATOM 876 CA ASN A 54 -6.019 -13.320 -7.312 1.00 73.11 C ATOM 877 C ASN A 54 -4.640 -13.863 -6.902 1.00 42.24 C ATOM 878 O ASN A 54 -4.499 -15.035 -6.554 1.00 64.40 O ATOM 879 CB ASN A 54 -6.150 -13.278 -8.841 1.00 61.44 C ATOM 880 CG ASN A 54 -7.539 -12.854 -9.291 1.00 33.42 C ATOM 881 OD1 ASN A 54 -8.532 -13.093 -8.609 1.00 71.21 O ATOM 882 ND2 ASN A 54 -7.624 -12.222 -10.445 1.00 63.43 N ATOM 0 H ASN A 54 -6.273 -11.237 -7.438 1.00 25.33 H new ATOM 0 HA ASN A 54 -6.777 -13.995 -6.914 1.00 73.11 H new ATOM 0 HB2 ASN A 54 -5.412 -12.586 -9.248 1.00 61.44 H new ATOM 0 HB3 ASN A 54 -5.923 -14.263 -9.250 1.00 61.44 H new ATOM 0 HD21 ASN A 54 -8.533 -11.917 -10.794 1.00 63.43 H new ATOM 0 HD22 ASN A 54 -6.781 -12.038 -10.989 1.00 63.43 H new ATOM 889 N ARG A 55 -3.625 -12.998 -6.939 1.00 21.02 N ATOM 890 CA ARG A 55 -2.277 -13.363 -6.480 1.00 24.24 C ATOM 891 C ARG A 55 -1.771 -12.385 -5.410 1.00 31.41 C ATOM 892 O ARG A 55 -1.878 -11.167 -5.561 1.00 45.42 O ATOM 893 CB ARG A 55 -1.276 -13.416 -7.650 1.00 72.42 C ATOM 894 CG ARG A 55 -1.164 -12.121 -8.465 1.00 44.42 C ATOM 895 CD ARG A 55 -2.190 -12.068 -9.593 1.00 3.00 C ATOM 896 NE ARG A 55 -2.011 -13.178 -10.528 1.00 51.30 N ATOM 897 CZ ARG A 55 -2.938 -13.627 -11.329 1.00 22.44 C ATOM 898 NH1 ARG A 55 -4.104 -13.067 -11.379 1.00 72.04 N ATOM 899 NH2 ARG A 55 -2.692 -14.642 -12.091 1.00 11.03 N ATOM 0 H ARG A 55 -3.707 -12.041 -7.281 1.00 21.02 H new ATOM 0 HA ARG A 55 -2.350 -14.358 -6.042 1.00 24.24 H new ATOM 0 HB2 ARG A 55 -0.291 -13.666 -7.255 1.00 72.42 H new ATOM 0 HB3 ARG A 55 -1.565 -14.226 -8.320 1.00 72.42 H new ATOM 0 HG2 ARG A 55 -1.304 -11.264 -7.806 1.00 44.42 H new ATOM 0 HG3 ARG A 55 -0.161 -12.041 -8.883 1.00 44.42 H new ATOM 0 HD2 ARG A 55 -3.196 -12.101 -9.174 1.00 3.00 H new ATOM 0 HD3 ARG A 55 -2.098 -11.122 -10.127 1.00 3.00 H new ATOM 0 HE ARG A 55 -1.098 -13.633 -10.556 1.00 51.30 H new ATOM 0 HH11 ARG A 55 -4.309 -12.262 -10.787 1.00 72.04 H new ATOM 0 HH12 ARG A 55 -4.818 -13.430 -12.011 1.00 72.04 H new ATOM 0 HH21 ARG A 55 -1.776 -15.089 -12.065 1.00 11.03 H new ATOM 0 HH22 ARG A 55 -3.414 -14.996 -12.718 1.00 11.03 H new ATOM 913 N ILE A 56 -1.226 -12.931 -4.328 1.00 55.23 N ATOM 914 CA ILE A 56 -0.668 -12.118 -3.246 1.00 64.20 C ATOM 915 C ILE A 56 0.809 -11.775 -3.520 1.00 1.22 C ATOM 916 O ILE A 56 1.610 -12.662 -3.828 1.00 30.11 O ATOM 917 CB ILE A 56 -0.789 -12.847 -1.883 1.00 24.35 C ATOM 918 CG1 ILE A 56 -2.263 -13.182 -1.590 1.00 64.33 C ATOM 919 CG2 ILE A 56 -0.194 -11.998 -0.756 1.00 23.02 C ATOM 920 CD1 ILE A 56 -2.474 -13.935 -0.294 1.00 43.41 C ATOM 0 H ILE A 56 -1.157 -13.937 -4.174 1.00 55.23 H new ATOM 0 HA ILE A 56 -1.243 -11.193 -3.202 1.00 64.20 H new ATOM 0 HB ILE A 56 -0.223 -13.777 -1.937 1.00 24.35 H new ATOM 0 HG12 ILE A 56 -2.837 -12.256 -1.558 1.00 64.33 H new ATOM 0 HG13 ILE A 56 -2.661 -13.776 -2.413 1.00 64.33 H new ATOM 0 HG21 ILE A 56 -0.291 -12.530 0.190 1.00 23.02 H new ATOM 0 HG22 ILE A 56 0.860 -11.809 -0.960 1.00 23.02 H new ATOM 0 HG23 ILE A 56 -0.727 -11.049 -0.695 1.00 23.02 H new ATOM 0 HD11 ILE A 56 -3.537 -14.134 -0.158 1.00 43.41 H new ATOM 0 HD12 ILE A 56 -1.929 -14.879 -0.329 1.00 43.41 H new ATOM 0 HD13 ILE A 56 -2.108 -13.335 0.539 1.00 43.41 H new ATOM 932 N PRO A 57 1.186 -10.482 -3.424 1.00 25.24 N ATOM 933 CA PRO A 57 2.566 -10.029 -3.695 1.00 4.12 C ATOM 934 C PRO A 57 3.622 -10.699 -2.795 1.00 63.13 C ATOM 935 O PRO A 57 3.464 -10.776 -1.575 1.00 3.20 O ATOM 936 CB PRO A 57 2.511 -8.514 -3.425 1.00 40.21 C ATOM 937 CG PRO A 57 1.286 -8.308 -2.599 1.00 64.04 C ATOM 938 CD PRO A 57 0.310 -9.357 -3.050 1.00 70.12 C ATOM 0 HA PRO A 57 2.872 -10.290 -4.708 1.00 4.12 H new ATOM 0 HB2 PRO A 57 3.403 -8.175 -2.898 1.00 40.21 H new ATOM 0 HB3 PRO A 57 2.458 -7.950 -4.356 1.00 40.21 H new ATOM 0 HG2 PRO A 57 1.508 -8.411 -1.537 1.00 64.04 H new ATOM 0 HG3 PRO A 57 0.880 -7.307 -2.744 1.00 64.04 H new ATOM 0 HD2 PRO A 57 -0.384 -9.632 -2.255 1.00 70.12 H new ATOM 0 HD3 PRO A 57 -0.290 -9.015 -3.893 1.00 70.12 H new ATOM 946 N ILE A 58 4.703 -11.173 -3.413 1.00 13.35 N ATOM 947 CA ILE A 58 5.808 -11.806 -2.685 1.00 74.03 C ATOM 948 C ILE A 58 7.054 -10.902 -2.669 1.00 24.03 C ATOM 949 O ILE A 58 7.506 -10.429 -3.714 1.00 73.13 O ATOM 950 CB ILE A 58 6.180 -13.175 -3.315 1.00 20.35 C ATOM 951 CG1 ILE A 58 4.957 -14.107 -3.341 1.00 13.04 C ATOM 952 CG2 ILE A 58 7.340 -13.830 -2.563 1.00 61.04 C ATOM 953 CD1 ILE A 58 4.378 -14.411 -1.974 1.00 44.55 C ATOM 0 H ILE A 58 4.840 -11.131 -4.423 1.00 13.35 H new ATOM 0 HA ILE A 58 5.469 -11.963 -1.661 1.00 74.03 H new ATOM 0 HB ILE A 58 6.502 -12.998 -4.341 1.00 20.35 H new ATOM 0 HG12 ILE A 58 4.182 -13.654 -3.959 1.00 13.04 H new ATOM 0 HG13 ILE A 58 5.239 -15.044 -3.820 1.00 13.04 H new ATOM 0 HG21 ILE A 58 7.579 -14.787 -3.026 1.00 61.04 H new ATOM 0 HG22 ILE A 58 8.213 -13.179 -2.603 1.00 61.04 H new ATOM 0 HG23 ILE A 58 7.055 -13.991 -1.523 1.00 61.04 H new ATOM 0 HD11 ILE A 58 3.520 -15.074 -2.082 1.00 44.55 H new ATOM 0 HD12 ILE A 58 5.135 -14.895 -1.358 1.00 44.55 H new ATOM 0 HD13 ILE A 58 4.062 -13.483 -1.498 1.00 44.55 H new ATOM 965 N MET A 59 7.602 -10.669 -1.480 1.00 71.00 N ATOM 966 CA MET A 59 8.794 -9.825 -1.315 1.00 23.24 C ATOM 967 C MET A 59 9.790 -10.477 -0.346 1.00 12.22 C ATOM 968 O MET A 59 9.388 -11.106 0.628 1.00 71.04 O ATOM 969 CB MET A 59 8.389 -8.432 -0.805 1.00 11.34 C ATOM 970 CG MET A 59 9.571 -7.508 -0.543 1.00 70.33 C ATOM 971 SD MET A 59 10.618 -7.288 -1.995 1.00 12.53 S ATOM 972 CE MET A 59 9.501 -6.421 -3.097 1.00 22.42 C ATOM 0 H MET A 59 7.240 -11.053 -0.607 1.00 71.00 H new ATOM 0 HA MET A 59 9.279 -9.719 -2.285 1.00 23.24 H new ATOM 0 HB2 MET A 59 7.729 -7.965 -1.536 1.00 11.34 H new ATOM 0 HB3 MET A 59 7.816 -8.544 0.115 1.00 11.34 H new ATOM 0 HG2 MET A 59 9.202 -6.536 -0.216 1.00 70.33 H new ATOM 0 HG3 MET A 59 10.169 -7.913 0.273 1.00 70.33 H new ATOM 0 HE1 MET A 59 10.063 -6.013 -3.937 1.00 22.42 H new ATOM 0 HE2 MET A 59 8.745 -7.113 -3.468 1.00 22.42 H new ATOM 0 HE3 MET A 59 9.015 -5.608 -2.557 1.00 22.42 H new ATOM 982 N ALA A 60 11.089 -10.333 -0.624 1.00 11.14 N ATOM 983 CA ALA A 60 12.140 -10.932 0.220 1.00 33.22 C ATOM 984 C ALA A 60 11.967 -12.460 0.357 1.00 33.32 C ATOM 985 O ALA A 60 12.340 -13.048 1.374 1.00 3.21 O ATOM 986 CB ALA A 60 12.156 -10.265 1.597 1.00 61.12 C ATOM 0 H ALA A 60 11.443 -9.809 -1.424 1.00 11.14 H new ATOM 0 HA ALA A 60 13.098 -10.758 -0.270 1.00 33.22 H new ATOM 0 HB1 ALA A 60 12.936 -10.716 2.211 1.00 61.12 H new ATOM 0 HB2 ALA A 60 12.355 -9.199 1.483 1.00 61.12 H new ATOM 0 HB3 ALA A 60 11.189 -10.404 2.080 1.00 61.12 H new ATOM 992 N LYS A 61 11.411 -13.088 -0.688 1.00 71.24 N ATOM 993 CA LYS A 61 11.171 -14.544 -0.716 1.00 13.31 C ATOM 994 C LYS A 61 10.081 -14.971 0.285 1.00 23.15 C ATOM 995 O LYS A 61 9.930 -16.159 0.581 1.00 11.45 O ATOM 996 CB LYS A 61 12.478 -15.322 -0.464 1.00 4.23 C ATOM 997 CG LYS A 61 13.585 -15.001 -1.470 1.00 73.01 C ATOM 998 CD LYS A 61 13.195 -15.372 -2.903 1.00 50.13 C ATOM 999 CE LYS A 61 13.170 -16.879 -3.116 1.00 40.13 C ATOM 1000 NZ LYS A 61 12.821 -17.237 -4.518 1.00 41.33 N ATOM 0 H LYS A 61 11.115 -12.606 -1.537 1.00 71.24 H new ATOM 0 HA LYS A 61 10.808 -14.789 -1.714 1.00 13.31 H new ATOM 0 HB2 LYS A 61 12.836 -15.099 0.541 1.00 4.23 H new ATOM 0 HB3 LYS A 61 12.267 -16.391 -0.497 1.00 4.23 H new ATOM 0 HG2 LYS A 61 13.818 -13.937 -1.423 1.00 73.01 H new ATOM 0 HG3 LYS A 61 14.492 -15.538 -1.192 1.00 73.01 H new ATOM 0 HD2 LYS A 61 12.213 -14.958 -3.130 1.00 50.13 H new ATOM 0 HD3 LYS A 61 13.901 -14.919 -3.599 1.00 50.13 H new ATOM 0 HE2 LYS A 61 14.145 -17.297 -2.867 1.00 40.13 H new ATOM 0 HE3 LYS A 61 12.447 -17.330 -2.436 1.00 40.13 H new ATOM 0 HZ1 LYS A 61 12.815 -18.272 -4.621 1.00 41.33 H new ATOM 0 HZ2 LYS A 61 11.879 -16.861 -4.748 1.00 41.33 H new ATOM 0 HZ3 LYS A 61 13.525 -16.829 -5.166 1.00 41.33 H new ATOM 1014 N GLN A 62 9.314 -14.004 0.786 1.00 1.53 N ATOM 1015 CA GLN A 62 8.184 -14.278 1.683 1.00 42.24 C ATOM 1016 C GLN A 62 6.935 -13.505 1.234 1.00 22.43 C ATOM 1017 O GLN A 62 6.998 -12.676 0.325 1.00 72.01 O ATOM 1018 CB GLN A 62 8.525 -13.886 3.131 1.00 11.21 C ATOM 1019 CG GLN A 62 8.828 -12.400 3.303 1.00 64.45 C ATOM 1020 CD GLN A 62 8.746 -11.936 4.748 1.00 34.01 C ATOM 1021 OE1 GLN A 62 9.725 -11.980 5.489 1.00 55.30 O ATOM 1022 NE2 GLN A 62 7.580 -11.474 5.157 1.00 52.03 N ATOM 0 H GLN A 62 9.454 -13.014 0.586 1.00 1.53 H new ATOM 0 HA GLN A 62 7.982 -15.348 1.640 1.00 42.24 H new ATOM 0 HB2 GLN A 62 7.691 -14.156 3.778 1.00 11.21 H new ATOM 0 HB3 GLN A 62 9.387 -14.465 3.463 1.00 11.21 H new ATOM 0 HG2 GLN A 62 9.826 -12.192 2.917 1.00 64.45 H new ATOM 0 HG3 GLN A 62 8.127 -11.821 2.702 1.00 64.45 H new ATOM 0 HE21 GLN A 62 6.787 -11.451 4.516 1.00 52.03 H new ATOM 0 HE22 GLN A 62 7.471 -11.139 6.114 1.00 52.03 H new ATOM 1031 N VAL A 63 5.803 -13.774 1.873 1.00 40.14 N ATOM 1032 CA VAL A 63 4.572 -13.023 1.607 1.00 52.10 C ATOM 1033 C VAL A 63 4.709 -11.558 2.058 1.00 53.34 C ATOM 1034 O VAL A 63 5.345 -11.264 3.072 1.00 33.44 O ATOM 1035 CB VAL A 63 3.355 -13.673 2.320 1.00 70.12 C ATOM 1036 CG1 VAL A 63 3.539 -13.667 3.839 1.00 25.12 C ATOM 1037 CG2 VAL A 63 2.055 -12.978 1.923 1.00 71.13 C ATOM 0 H VAL A 63 5.707 -14.504 2.579 1.00 40.14 H new ATOM 0 HA VAL A 63 4.405 -13.048 0.530 1.00 52.10 H new ATOM 0 HB VAL A 63 3.293 -14.712 1.996 1.00 70.12 H new ATOM 0 HG11 VAL A 63 2.672 -14.128 4.312 1.00 25.12 H new ATOM 0 HG12 VAL A 63 4.436 -14.229 4.099 1.00 25.12 H new ATOM 0 HG13 VAL A 63 3.640 -12.640 4.189 1.00 25.12 H new ATOM 0 HG21 VAL A 63 1.218 -13.452 2.436 1.00 71.13 H new ATOM 0 HG22 VAL A 63 2.104 -11.926 2.204 1.00 71.13 H new ATOM 0 HG23 VAL A 63 1.913 -13.059 0.845 1.00 71.13 H new ATOM 1047 N LEU A 64 4.136 -10.639 1.286 1.00 63.24 N ATOM 1048 CA LEU A 64 4.149 -9.218 1.641 1.00 32.54 C ATOM 1049 C LEU A 64 2.963 -8.874 2.556 1.00 24.25 C ATOM 1050 O LEU A 64 1.804 -8.921 2.133 1.00 20.12 O ATOM 1051 CB LEU A 64 4.116 -8.361 0.367 1.00 40.32 C ATOM 1052 CG LEU A 64 4.221 -6.839 0.577 1.00 64.11 C ATOM 1053 CD1 LEU A 64 5.520 -6.476 1.291 1.00 31.34 C ATOM 1054 CD2 LEU A 64 4.117 -6.103 -0.761 1.00 55.53 C ATOM 0 H LEU A 64 3.657 -10.850 0.411 1.00 63.24 H new ATOM 0 HA LEU A 64 5.068 -9.002 2.187 1.00 32.54 H new ATOM 0 HB2 LEU A 64 4.934 -8.676 -0.281 1.00 40.32 H new ATOM 0 HB3 LEU A 64 3.188 -8.572 -0.165 1.00 40.32 H new ATOM 0 HG LEU A 64 3.389 -6.525 1.208 1.00 64.11 H new ATOM 0 HD11 LEU A 64 5.571 -5.396 1.428 1.00 31.34 H new ATOM 0 HD12 LEU A 64 5.550 -6.967 2.264 1.00 31.34 H new ATOM 0 HD13 LEU A 64 6.369 -6.806 0.692 1.00 31.34 H new ATOM 0 HD21 LEU A 64 4.193 -5.029 -0.592 1.00 55.53 H new ATOM 0 HD22 LEU A 64 4.925 -6.426 -1.417 1.00 55.53 H new ATOM 0 HD23 LEU A 64 3.158 -6.330 -1.227 1.00 55.53 H new ATOM 1066 N ASP A 65 3.262 -8.549 3.816 1.00 10.31 N ATOM 1067 CA ASP A 65 2.231 -8.213 4.805 1.00 33.53 C ATOM 1068 C ASP A 65 1.345 -7.037 4.341 1.00 33.21 C ATOM 1069 O ASP A 65 1.655 -5.873 4.600 1.00 22.31 O ATOM 1070 CB ASP A 65 2.887 -7.866 6.147 1.00 4.25 C ATOM 1071 CG ASP A 65 3.815 -8.960 6.639 1.00 32.54 C ATOM 1072 OD1 ASP A 65 5.011 -8.938 6.276 1.00 20.13 O ATOM 1073 OD2 ASP A 65 3.352 -9.835 7.392 1.00 21.02 O ATOM 0 H ASP A 65 4.215 -8.511 4.178 1.00 10.31 H new ATOM 0 HA ASP A 65 1.590 -9.087 4.919 1.00 33.53 H new ATOM 0 HB2 ASP A 65 3.448 -6.937 6.044 1.00 4.25 H new ATOM 0 HB3 ASP A 65 2.111 -7.689 6.892 1.00 4.25 H new ATOM 1078 N LEU A 66 0.244 -7.351 3.656 1.00 13.13 N ATOM 1079 CA LEU A 66 -0.674 -6.325 3.133 1.00 5.41 C ATOM 1080 C LEU A 66 -1.148 -5.351 4.226 1.00 74.33 C ATOM 1081 O LEU A 66 -1.087 -4.132 4.050 1.00 43.53 O ATOM 1082 CB LEU A 66 -1.888 -6.987 2.461 1.00 64.04 C ATOM 1083 CG LEU A 66 -1.570 -7.830 1.214 1.00 75.40 C ATOM 1084 CD1 LEU A 66 -2.848 -8.428 0.627 1.00 32.45 C ATOM 1085 CD2 LEU A 66 -0.837 -6.990 0.168 1.00 31.04 C ATOM 0 H LEU A 66 -0.038 -8.309 3.448 1.00 13.13 H new ATOM 0 HA LEU A 66 -0.118 -5.745 2.396 1.00 5.41 H new ATOM 0 HB2 LEU A 66 -2.385 -7.624 3.193 1.00 64.04 H new ATOM 0 HB3 LEU A 66 -2.598 -6.208 2.182 1.00 64.04 H new ATOM 0 HG LEU A 66 -0.916 -8.649 1.513 1.00 75.40 H new ATOM 0 HD11 LEU A 66 -2.601 -9.020 -0.254 1.00 32.45 H new ATOM 0 HD12 LEU A 66 -3.326 -9.065 1.371 1.00 32.45 H new ATOM 0 HD13 LEU A 66 -3.529 -7.625 0.345 1.00 32.45 H new ATOM 0 HD21 LEU A 66 -0.621 -7.605 -0.706 1.00 31.04 H new ATOM 0 HD22 LEU A 66 -1.463 -6.148 -0.126 1.00 31.04 H new ATOM 0 HD23 LEU A 66 0.097 -6.618 0.589 1.00 31.04 H new ATOM 1097 N PHE A 67 -1.613 -5.887 5.354 1.00 35.53 N ATOM 1098 CA PHE A 67 -2.094 -5.050 6.462 1.00 43.54 C ATOM 1099 C PHE A 67 -1.001 -4.087 6.956 1.00 72.11 C ATOM 1100 O PHE A 67 -1.223 -2.881 7.066 1.00 53.45 O ATOM 1101 CB PHE A 67 -2.566 -5.932 7.627 1.00 15.30 C ATOM 1102 CG PHE A 67 -3.072 -5.152 8.824 1.00 71.33 C ATOM 1103 CD1 PHE A 67 -2.195 -4.707 9.810 1.00 42.31 C ATOM 1104 CD2 PHE A 67 -4.422 -4.863 8.962 1.00 72.22 C ATOM 1105 CE1 PHE A 67 -2.658 -3.994 10.899 1.00 10.21 C ATOM 1106 CE2 PHE A 67 -4.888 -4.151 10.052 1.00 74.54 C ATOM 1107 CZ PHE A 67 -4.005 -3.716 11.022 1.00 74.24 C ATOM 0 H PHE A 67 -1.668 -6.891 5.528 1.00 35.53 H new ATOM 0 HA PHE A 67 -2.930 -4.458 6.089 1.00 43.54 H new ATOM 0 HB2 PHE A 67 -3.360 -6.590 7.273 1.00 15.30 H new ATOM 0 HB3 PHE A 67 -1.741 -6.570 7.944 1.00 15.30 H new ATOM 0 HD1 PHE A 67 -1.140 -4.922 9.722 1.00 42.31 H new ATOM 0 HD2 PHE A 67 -5.118 -5.199 8.208 1.00 72.22 H new ATOM 0 HE1 PHE A 67 -1.966 -3.654 11.655 1.00 10.21 H new ATOM 0 HE2 PHE A 67 -5.942 -3.935 10.145 1.00 74.54 H new ATOM 0 HZ PHE A 67 -4.367 -3.160 11.874 1.00 74.24 H new ATOM 1117 N MET A 68 0.179 -4.630 7.237 1.00 35.31 N ATOM 1118 CA MET A 68 1.284 -3.836 7.779 1.00 22.41 C ATOM 1119 C MET A 68 1.788 -2.814 6.749 1.00 32.22 C ATOM 1120 O MET A 68 2.097 -1.672 7.091 1.00 70.25 O ATOM 1121 CB MET A 68 2.428 -4.755 8.223 1.00 62.13 C ATOM 1122 CG MET A 68 1.997 -5.858 9.180 1.00 21.50 C ATOM 1123 SD MET A 68 1.177 -5.229 10.661 1.00 51.22 S ATOM 1124 CE MET A 68 2.470 -4.209 11.370 1.00 33.31 C ATOM 0 H MET A 68 0.398 -5.617 7.100 1.00 35.31 H new ATOM 0 HA MET A 68 0.915 -3.287 8.645 1.00 22.41 H new ATOM 0 HB2 MET A 68 2.880 -5.209 7.341 1.00 62.13 H new ATOM 0 HB3 MET A 68 3.200 -4.153 8.702 1.00 62.13 H new ATOM 0 HG2 MET A 68 1.323 -6.539 8.660 1.00 21.50 H new ATOM 0 HG3 MET A 68 2.872 -6.438 9.475 1.00 21.50 H new ATOM 0 HE1 MET A 68 2.211 -3.956 12.398 1.00 33.31 H new ATOM 0 HE2 MET A 68 3.413 -4.756 11.357 1.00 33.31 H new ATOM 0 HE3 MET A 68 2.573 -3.294 10.786 1.00 33.31 H new ATOM 1134 N LEU A 69 1.859 -3.237 5.488 1.00 13.21 N ATOM 1135 CA LEU A 69 2.243 -2.349 4.384 1.00 25.42 C ATOM 1136 C LEU A 69 1.337 -1.108 4.348 1.00 70.32 C ATOM 1137 O LEU A 69 1.814 0.026 4.284 1.00 43.24 O ATOM 1138 CB LEU A 69 2.153 -3.107 3.047 1.00 2.14 C ATOM 1139 CG LEU A 69 2.696 -2.359 1.818 1.00 34.05 C ATOM 1140 CD1 LEU A 69 4.198 -2.135 1.947 1.00 42.33 C ATOM 1141 CD2 LEU A 69 2.373 -3.123 0.535 1.00 31.21 C ATOM 0 H LEU A 69 1.655 -4.194 5.201 1.00 13.21 H new ATOM 0 HA LEU A 69 3.271 -2.022 4.542 1.00 25.42 H new ATOM 0 HB2 LEU A 69 2.696 -4.047 3.146 1.00 2.14 H new ATOM 0 HB3 LEU A 69 1.109 -3.360 2.863 1.00 2.14 H new ATOM 0 HG LEU A 69 2.208 -1.386 1.767 1.00 34.05 H new ATOM 0 HD11 LEU A 69 4.564 -1.604 1.068 1.00 42.33 H new ATOM 0 HD12 LEU A 69 4.402 -1.543 2.839 1.00 42.33 H new ATOM 0 HD13 LEU A 69 4.704 -3.097 2.026 1.00 42.33 H new ATOM 0 HD21 LEU A 69 2.766 -2.577 -0.322 1.00 31.21 H new ATOM 0 HD22 LEU A 69 2.830 -4.112 0.576 1.00 31.21 H new ATOM 0 HD23 LEU A 69 1.292 -3.226 0.435 1.00 31.21 H new ATOM 1153 N TYR A 70 0.025 -1.340 4.402 1.00 65.33 N ATOM 1154 CA TYR A 70 -0.962 -0.254 4.445 1.00 1.03 C ATOM 1155 C TYR A 70 -0.702 0.692 5.630 1.00 61.52 C ATOM 1156 O TYR A 70 -0.671 1.912 5.469 1.00 70.10 O ATOM 1157 CB TYR A 70 -2.380 -0.839 4.534 1.00 63.13 C ATOM 1158 CG TYR A 70 -3.485 0.202 4.532 1.00 41.31 C ATOM 1159 CD1 TYR A 70 -3.961 0.738 3.338 1.00 72.51 C ATOM 1160 CD2 TYR A 70 -4.059 0.643 5.721 1.00 33.25 C ATOM 1161 CE1 TYR A 70 -4.971 1.681 3.332 1.00 13.20 C ATOM 1162 CE2 TYR A 70 -5.068 1.585 5.721 1.00 51.44 C ATOM 1163 CZ TYR A 70 -5.521 2.101 4.526 1.00 4.13 C ATOM 1164 OH TYR A 70 -6.531 3.041 4.525 1.00 53.31 O ATOM 0 H TYR A 70 -0.383 -2.275 4.417 1.00 65.33 H new ATOM 0 HA TYR A 70 -0.868 0.327 3.527 1.00 1.03 H new ATOM 0 HB2 TYR A 70 -2.534 -1.517 3.695 1.00 63.13 H new ATOM 0 HB3 TYR A 70 -2.459 -1.434 5.444 1.00 63.13 H new ATOM 0 HD1 TYR A 70 -3.534 0.411 2.401 1.00 72.51 H new ATOM 0 HD2 TYR A 70 -3.709 0.241 6.660 1.00 33.25 H new ATOM 0 HE1 TYR A 70 -5.328 2.087 2.397 1.00 13.20 H new ATOM 0 HE2 TYR A 70 -5.501 1.916 6.653 1.00 51.44 H new ATOM 0 HH TYR A 70 -6.807 3.225 5.447 1.00 53.31 H new ATOM 1174 N VAL A 71 -0.508 0.115 6.815 1.00 3.54 N ATOM 1175 CA VAL A 71 -0.241 0.896 8.031 1.00 54.51 C ATOM 1176 C VAL A 71 0.969 1.835 7.860 1.00 62.11 C ATOM 1177 O VAL A 71 0.846 3.050 8.034 1.00 5.12 O ATOM 1178 CB VAL A 71 0.003 -0.035 9.250 1.00 21.03 C ATOM 1179 CG1 VAL A 71 0.390 0.767 10.494 1.00 74.21 C ATOM 1180 CG2 VAL A 71 -1.231 -0.893 9.522 1.00 63.43 C ATOM 0 H VAL A 71 -0.530 -0.894 6.963 1.00 3.54 H new ATOM 0 HA VAL A 71 -1.128 1.504 8.210 1.00 54.51 H new ATOM 0 HB VAL A 71 0.837 -0.693 9.008 1.00 21.03 H new ATOM 0 HG11 VAL A 71 0.554 0.086 11.329 1.00 74.21 H new ATOM 0 HG12 VAL A 71 1.305 1.326 10.297 1.00 74.21 H new ATOM 0 HG13 VAL A 71 -0.413 1.461 10.744 1.00 74.21 H new ATOM 0 HG21 VAL A 71 -1.043 -1.539 10.379 1.00 63.43 H new ATOM 0 HG22 VAL A 71 -2.083 -0.248 9.734 1.00 63.43 H new ATOM 0 HG23 VAL A 71 -1.449 -1.505 8.647 1.00 63.43 H new ATOM 1190 N LEU A 72 2.119 1.263 7.499 1.00 74.13 N ATOM 1191 CA LEU A 72 3.369 2.030 7.361 1.00 72.42 C ATOM 1192 C LEU A 72 3.286 3.111 6.265 1.00 63.32 C ATOM 1193 O LEU A 72 3.769 4.227 6.452 1.00 31.11 O ATOM 1194 CB LEU A 72 4.557 1.086 7.081 1.00 11.43 C ATOM 1195 CG LEU A 72 5.181 0.402 8.317 1.00 65.23 C ATOM 1196 CD1 LEU A 72 5.725 1.444 9.293 1.00 2.23 C ATOM 1197 CD2 LEU A 72 4.178 -0.519 9.011 1.00 74.41 C ATOM 0 H LEU A 72 2.216 0.268 7.295 1.00 74.13 H new ATOM 0 HA LEU A 72 3.526 2.542 8.310 1.00 72.42 H new ATOM 0 HB2 LEU A 72 4.225 0.311 6.390 1.00 11.43 H new ATOM 0 HB3 LEU A 72 5.336 1.654 6.573 1.00 11.43 H new ATOM 0 HG LEU A 72 6.011 -0.214 7.972 1.00 65.23 H new ATOM 0 HD11 LEU A 72 6.160 0.941 10.157 1.00 2.23 H new ATOM 0 HD12 LEU A 72 6.490 2.042 8.798 1.00 2.23 H new ATOM 0 HD13 LEU A 72 4.913 2.093 9.622 1.00 2.23 H new ATOM 0 HD21 LEU A 72 4.650 -0.984 9.877 1.00 74.41 H new ATOM 0 HD22 LEU A 72 3.315 0.062 9.337 1.00 74.41 H new ATOM 0 HD23 LEU A 72 3.853 -1.293 8.315 1.00 74.41 H new ATOM 1209 N VAL A 73 2.686 2.784 5.123 1.00 12.14 N ATOM 1210 CA VAL A 73 2.588 3.738 4.005 1.00 31.21 C ATOM 1211 C VAL A 73 1.636 4.908 4.326 1.00 32.21 C ATOM 1212 O VAL A 73 1.992 6.080 4.154 1.00 43.44 O ATOM 1213 CB VAL A 73 2.124 3.035 2.701 1.00 12.21 C ATOM 1214 CG1 VAL A 73 1.936 4.043 1.563 1.00 11.24 C ATOM 1215 CG2 VAL A 73 3.122 1.948 2.297 1.00 2.23 C ATOM 0 H VAL A 73 2.261 1.875 4.941 1.00 12.14 H new ATOM 0 HA VAL A 73 3.590 4.141 3.855 1.00 31.21 H new ATOM 0 HB VAL A 73 1.158 2.568 2.896 1.00 12.21 H new ATOM 0 HG11 VAL A 73 1.611 3.520 0.664 1.00 11.24 H new ATOM 0 HG12 VAL A 73 1.183 4.777 1.848 1.00 11.24 H new ATOM 0 HG13 VAL A 73 2.881 4.550 1.366 1.00 11.24 H new ATOM 0 HG21 VAL A 73 2.782 1.465 1.381 1.00 2.23 H new ATOM 0 HG22 VAL A 73 4.101 2.397 2.129 1.00 2.23 H new ATOM 0 HG23 VAL A 73 3.195 1.207 3.093 1.00 2.23 H new ATOM 1225 N THR A 74 0.432 4.588 4.802 1.00 62.11 N ATOM 1226 CA THR A 74 -0.584 5.615 5.098 1.00 52.12 C ATOM 1227 C THR A 74 -0.149 6.569 6.218 1.00 41.33 C ATOM 1228 O THR A 74 -0.382 7.775 6.131 1.00 3.44 O ATOM 1229 CB THR A 74 -1.949 4.997 5.489 1.00 70.22 C ATOM 1230 OG1 THR A 74 -1.814 4.183 6.667 1.00 72.12 O ATOM 1231 CG2 THR A 74 -2.518 4.163 4.346 1.00 50.31 C ATOM 0 H THR A 74 0.131 3.632 4.992 1.00 62.11 H new ATOM 0 HA THR A 74 -0.692 6.177 4.170 1.00 52.12 H new ATOM 0 HB THR A 74 -2.639 5.815 5.699 1.00 70.22 H new ATOM 0 HG1 THR A 74 -1.432 3.314 6.422 1.00 72.12 H new ATOM 0 HG21 THR A 74 -3.477 3.740 4.646 1.00 50.31 H new ATOM 0 HG22 THR A 74 -2.659 4.795 3.469 1.00 50.31 H new ATOM 0 HG23 THR A 74 -1.826 3.357 4.104 1.00 50.31 H new ATOM 1239 N GLU A 75 0.490 6.038 7.265 1.00 1.41 N ATOM 1240 CA GLU A 75 0.913 6.869 8.405 1.00 40.41 C ATOM 1241 C GLU A 75 1.939 7.937 7.984 1.00 62.22 C ATOM 1242 O GLU A 75 2.087 8.964 8.647 1.00 2.11 O ATOM 1243 CB GLU A 75 1.492 6.012 9.545 1.00 64.43 C ATOM 1244 CG GLU A 75 2.813 5.325 9.217 1.00 35.51 C ATOM 1245 CD GLU A 75 3.426 4.626 10.423 1.00 72.31 C ATOM 1246 OE1 GLU A 75 4.195 5.278 11.168 1.00 34.14 O ATOM 1247 OE2 GLU A 75 3.133 3.434 10.646 1.00 14.34 O ATOM 0 H GLU A 75 0.725 5.049 7.350 1.00 1.41 H new ATOM 0 HA GLU A 75 0.019 7.375 8.768 1.00 40.41 H new ATOM 0 HB2 GLU A 75 1.635 6.645 10.421 1.00 64.43 H new ATOM 0 HB3 GLU A 75 0.760 5.251 9.817 1.00 64.43 H new ATOM 0 HG2 GLU A 75 2.652 4.596 8.423 1.00 35.51 H new ATOM 0 HG3 GLU A 75 3.517 6.064 8.834 1.00 35.51 H new ATOM 1254 N LYS A 76 2.650 7.682 6.884 1.00 43.33 N ATOM 1255 CA LYS A 76 3.615 8.651 6.343 1.00 54.12 C ATOM 1256 C LYS A 76 2.900 9.796 5.605 1.00 23.21 C ATOM 1257 O LYS A 76 3.468 10.871 5.407 1.00 45.41 O ATOM 1258 CB LYS A 76 4.599 7.956 5.388 1.00 14.24 C ATOM 1259 CG LYS A 76 5.373 6.805 6.024 1.00 74.12 C ATOM 1260 CD LYS A 76 6.240 7.268 7.195 1.00 53.23 C ATOM 1261 CE LYS A 76 6.997 6.102 7.826 1.00 3.05 C ATOM 1262 NZ LYS A 76 7.876 6.540 8.942 1.00 12.04 N ATOM 0 H LYS A 76 2.579 6.816 6.349 1.00 43.33 H new ATOM 0 HA LYS A 76 4.167 9.072 7.184 1.00 54.12 H new ATOM 0 HB2 LYS A 76 4.048 7.578 4.527 1.00 14.24 H new ATOM 0 HB3 LYS A 76 5.308 8.694 5.013 1.00 14.24 H new ATOM 0 HG2 LYS A 76 4.672 6.046 6.371 1.00 74.12 H new ATOM 0 HG3 LYS A 76 6.005 6.334 5.271 1.00 74.12 H new ATOM 0 HD2 LYS A 76 6.950 8.019 6.849 1.00 53.23 H new ATOM 0 HD3 LYS A 76 5.612 7.745 7.947 1.00 53.23 H new ATOM 0 HE2 LYS A 76 6.283 5.366 8.196 1.00 3.05 H new ATOM 0 HE3 LYS A 76 7.600 5.608 7.064 1.00 3.05 H new ATOM 0 HZ1 LYS A 76 8.369 5.715 9.339 1.00 12.04 H new ATOM 0 HZ2 LYS A 76 8.575 7.223 8.586 1.00 12.04 H new ATOM 0 HZ3 LYS A 76 7.300 6.988 9.682 1.00 12.04 H new ATOM 1276 N GLY A 77 1.651 9.557 5.206 1.00 70.40 N ATOM 1277 CA GLY A 77 0.883 10.559 4.471 1.00 31.44 C ATOM 1278 C GLY A 77 0.061 9.965 3.331 1.00 63.40 C ATOM 1279 O GLY A 77 -0.960 10.529 2.934 1.00 33.32 O ATOM 0 H GLY A 77 1.153 8.684 5.378 1.00 70.40 H new ATOM 0 HA2 GLY A 77 0.216 11.075 5.161 1.00 31.44 H new ATOM 0 HA3 GLY A 77 1.565 11.307 4.068 1.00 31.44 H new ATOM 1283 N GLY A 78 0.505 8.826 2.804 1.00 61.34 N ATOM 1284 CA GLY A 78 -0.175 8.188 1.677 1.00 42.45 C ATOM 1285 C GLY A 78 0.790 7.782 0.567 1.00 12.42 C ATOM 1286 O GLY A 78 1.969 8.141 0.605 1.00 31.40 O ATOM 0 H GLY A 78 1.330 8.327 3.137 1.00 61.34 H new ATOM 0 HA2 GLY A 78 -0.709 7.306 2.031 1.00 42.45 H new ATOM 0 HA3 GLY A 78 -0.922 8.872 1.273 1.00 42.45 H new ATOM 1290 N LEU A 79 0.293 7.043 -0.429 1.00 31.13 N ATOM 1291 CA LEU A 79 1.137 6.552 -1.531 1.00 51.43 C ATOM 1292 C LEU A 79 1.960 7.678 -2.188 1.00 12.11 C ATOM 1293 O LEU A 79 3.184 7.573 -2.300 1.00 72.32 O ATOM 1294 CB LEU A 79 0.280 5.839 -2.587 1.00 42.13 C ATOM 1295 CG LEU A 79 1.055 5.269 -3.793 1.00 34.35 C ATOM 1296 CD1 LEU A 79 2.173 4.333 -3.333 1.00 11.13 C ATOM 1297 CD2 LEU A 79 0.106 4.550 -4.748 1.00 42.23 C ATOM 0 H LEU A 79 -0.687 6.770 -0.498 1.00 31.13 H new ATOM 0 HA LEU A 79 1.843 5.843 -1.099 1.00 51.43 H new ATOM 0 HB2 LEU A 79 -0.258 5.023 -2.104 1.00 42.13 H new ATOM 0 HB3 LEU A 79 -0.469 6.540 -2.956 1.00 42.13 H new ATOM 0 HG LEU A 79 1.513 6.102 -4.326 1.00 34.35 H new ATOM 0 HD11 LEU A 79 2.704 3.945 -4.203 1.00 11.13 H new ATOM 0 HD12 LEU A 79 2.869 4.882 -2.698 1.00 11.13 H new ATOM 0 HD13 LEU A 79 1.745 3.504 -2.770 1.00 11.13 H new ATOM 0 HD21 LEU A 79 0.670 4.155 -5.593 1.00 42.23 H new ATOM 0 HD22 LEU A 79 -0.385 3.730 -4.224 1.00 42.23 H new ATOM 0 HD23 LEU A 79 -0.646 5.251 -5.110 1.00 42.23 H new ATOM 1309 N VAL A 80 1.294 8.755 -2.605 1.00 75.10 N ATOM 1310 CA VAL A 80 1.981 9.873 -3.272 1.00 24.35 C ATOM 1311 C VAL A 80 3.076 10.484 -2.379 1.00 74.02 C ATOM 1312 O VAL A 80 4.177 10.784 -2.846 1.00 34.14 O ATOM 1313 CB VAL A 80 0.980 10.979 -3.698 1.00 14.03 C ATOM 1314 CG1 VAL A 80 1.704 12.217 -4.224 1.00 2.02 C ATOM 1315 CG2 VAL A 80 0.015 10.442 -4.750 1.00 4.32 C ATOM 0 H VAL A 80 0.288 8.881 -2.496 1.00 75.10 H new ATOM 0 HA VAL A 80 2.452 9.461 -4.164 1.00 24.35 H new ATOM 0 HB VAL A 80 0.414 11.275 -2.815 1.00 14.03 H new ATOM 0 HG11 VAL A 80 0.972 12.971 -4.513 1.00 2.02 H new ATOM 0 HG12 VAL A 80 2.351 12.619 -3.444 1.00 2.02 H new ATOM 0 HG13 VAL A 80 2.307 11.945 -5.091 1.00 2.02 H new ATOM 0 HG21 VAL A 80 -0.682 11.229 -5.040 1.00 4.32 H new ATOM 0 HG22 VAL A 80 0.576 10.114 -5.625 1.00 4.32 H new ATOM 0 HG23 VAL A 80 -0.540 9.599 -4.338 1.00 4.32 H new ATOM 1325 N GLU A 81 2.773 10.649 -1.097 1.00 61.31 N ATOM 1326 CA GLU A 81 3.742 11.194 -0.140 1.00 54.11 C ATOM 1327 C GLU A 81 5.001 10.316 -0.067 1.00 43.20 C ATOM 1328 O GLU A 81 6.123 10.806 -0.192 1.00 71.34 O ATOM 1329 CB GLU A 81 3.107 11.307 1.252 1.00 34.31 C ATOM 1330 CG GLU A 81 4.046 11.865 2.322 1.00 24.40 C ATOM 1331 CD GLU A 81 4.371 13.343 2.132 1.00 75.42 C ATOM 1332 OE1 GLU A 81 5.115 13.684 1.187 1.00 74.51 O ATOM 1333 OE2 GLU A 81 3.887 14.167 2.934 1.00 51.21 O ATOM 0 H GLU A 81 1.867 10.415 -0.692 1.00 61.31 H new ATOM 0 HA GLU A 81 4.033 12.186 -0.485 1.00 54.11 H new ATOM 0 HB2 GLU A 81 2.226 11.946 1.187 1.00 34.31 H new ATOM 0 HB3 GLU A 81 2.763 10.321 1.564 1.00 34.31 H new ATOM 0 HG2 GLU A 81 3.592 11.724 3.303 1.00 24.40 H new ATOM 0 HG3 GLU A 81 4.974 11.293 2.315 1.00 24.40 H new ATOM 1340 N VAL A 82 4.801 9.014 0.118 1.00 33.44 N ATOM 1341 CA VAL A 82 5.915 8.064 0.218 1.00 22.42 C ATOM 1342 C VAL A 82 6.775 8.063 -1.062 1.00 23.43 C ATOM 1343 O VAL A 82 8.005 7.963 -0.997 1.00 34.45 O ATOM 1344 CB VAL A 82 5.399 6.630 0.515 1.00 72.21 C ATOM 1345 CG1 VAL A 82 6.555 5.638 0.621 1.00 20.31 C ATOM 1346 CG2 VAL A 82 4.562 6.615 1.795 1.00 1.21 C ATOM 0 H VAL A 82 3.878 8.588 0.202 1.00 33.44 H new ATOM 0 HA VAL A 82 6.542 8.389 1.048 1.00 22.42 H new ATOM 0 HB VAL A 82 4.767 6.322 -0.318 1.00 72.21 H new ATOM 0 HG11 VAL A 82 6.162 4.643 0.829 1.00 20.31 H new ATOM 0 HG12 VAL A 82 7.107 5.621 -0.319 1.00 20.31 H new ATOM 0 HG13 VAL A 82 7.222 5.941 1.428 1.00 20.31 H new ATOM 0 HG21 VAL A 82 4.209 5.602 1.987 1.00 1.21 H new ATOM 0 HG22 VAL A 82 5.173 6.951 2.633 1.00 1.21 H new ATOM 0 HG23 VAL A 82 3.707 7.281 1.679 1.00 1.21 H new ATOM 1356 N ILE A 83 6.125 8.195 -2.218 1.00 72.32 N ATOM 1357 CA ILE A 83 6.832 8.291 -3.503 1.00 53.32 C ATOM 1358 C ILE A 83 7.671 9.578 -3.585 1.00 30.24 C ATOM 1359 O ILE A 83 8.815 9.557 -4.037 1.00 3.24 O ATOM 1360 CB ILE A 83 5.841 8.253 -4.695 1.00 74.41 C ATOM 1361 CG1 ILE A 83 5.055 6.932 -4.702 1.00 44.31 C ATOM 1362 CG2 ILE A 83 6.577 8.444 -6.021 1.00 0.10 C ATOM 1363 CD1 ILE A 83 4.007 6.851 -5.794 1.00 0.31 C ATOM 0 H ILE A 83 5.109 8.238 -2.295 1.00 72.32 H new ATOM 0 HA ILE A 83 7.496 7.429 -3.563 1.00 53.32 H new ATOM 0 HB ILE A 83 5.135 9.075 -4.575 1.00 74.41 H new ATOM 0 HG12 ILE A 83 5.754 6.104 -4.820 1.00 44.31 H new ATOM 0 HG13 ILE A 83 4.569 6.804 -3.735 1.00 44.31 H new ATOM 0 HG21 ILE A 83 5.861 8.414 -6.842 1.00 0.10 H new ATOM 0 HG22 ILE A 83 7.086 9.408 -6.019 1.00 0.10 H new ATOM 0 HG23 ILE A 83 7.310 7.647 -6.149 1.00 0.10 H new ATOM 0 HD11 ILE A 83 3.494 5.891 -5.736 1.00 0.31 H new ATOM 0 HD12 ILE A 83 3.284 7.657 -5.665 1.00 0.31 H new ATOM 0 HD13 ILE A 83 4.488 6.947 -6.768 1.00 0.31 H new ATOM 1375 N ASN A 84 7.095 10.695 -3.143 1.00 42.33 N ATOM 1376 CA ASN A 84 7.798 11.985 -3.145 1.00 23.23 C ATOM 1377 C ASN A 84 8.959 12.002 -2.133 1.00 4.34 C ATOM 1378 O ASN A 84 10.018 12.568 -2.398 1.00 51.31 O ATOM 1379 CB ASN A 84 6.819 13.125 -2.841 1.00 60.03 C ATOM 1380 CG ASN A 84 5.811 13.341 -3.956 1.00 11.12 C ATOM 1381 OD1 ASN A 84 6.107 13.126 -5.126 1.00 14.53 O ATOM 1382 ND2 ASN A 84 4.614 13.766 -3.609 1.00 22.21 N ATOM 0 H ASN A 84 6.143 10.737 -2.778 1.00 42.33 H new ATOM 0 HA ASN A 84 8.220 12.128 -4.140 1.00 23.23 H new ATOM 0 HB2 ASN A 84 6.289 12.906 -1.914 1.00 60.03 H new ATOM 0 HB3 ASN A 84 7.379 14.046 -2.678 1.00 60.03 H new ATOM 0 HD21 ASN A 84 3.903 13.925 -4.323 1.00 22.21 H new ATOM 0 HD22 ASN A 84 4.398 13.936 -2.627 1.00 22.21 H new ATOM 1389 N LYS A 85 8.752 11.380 -0.978 1.00 53.02 N ATOM 1390 CA LYS A 85 9.782 11.310 0.064 1.00 2.35 C ATOM 1391 C LYS A 85 10.827 10.219 -0.228 1.00 25.42 C ATOM 1392 O LYS A 85 11.898 10.204 0.382 1.00 10.25 O ATOM 1393 CB LYS A 85 9.129 11.056 1.434 1.00 73.12 C ATOM 1394 CG LYS A 85 8.241 12.196 1.955 1.00 44.54 C ATOM 1395 CD LYS A 85 9.026 13.280 2.705 1.00 65.34 C ATOM 1396 CE LYS A 85 9.970 14.063 1.797 1.00 41.42 C ATOM 1397 NZ LYS A 85 10.664 15.162 2.520 1.00 44.20 N ATOM 0 H LYS A 85 7.878 10.914 -0.734 1.00 53.02 H new ATOM 0 HA LYS A 85 10.301 12.268 0.075 1.00 2.35 H new ATOM 0 HB2 LYS A 85 8.528 10.149 1.370 1.00 73.12 H new ATOM 0 HB3 LYS A 85 9.916 10.866 2.164 1.00 73.12 H new ATOM 0 HG2 LYS A 85 7.716 12.652 1.115 1.00 44.54 H new ATOM 0 HG3 LYS A 85 7.482 11.782 2.618 1.00 44.54 H new ATOM 0 HD2 LYS A 85 8.325 13.970 3.174 1.00 65.34 H new ATOM 0 HD3 LYS A 85 9.602 12.816 3.506 1.00 65.34 H new ATOM 0 HE2 LYS A 85 10.711 13.384 1.374 1.00 41.42 H new ATOM 0 HE3 LYS A 85 9.406 14.479 0.962 1.00 41.42 H new ATOM 0 HZ1 LYS A 85 11.294 15.666 1.864 1.00 44.20 H new ATOM 0 HZ2 LYS A 85 9.960 15.825 2.902 1.00 44.20 H new ATOM 0 HZ3 LYS A 85 11.224 14.764 3.301 1.00 44.20 H new ATOM 1411 N LYS A 86 10.502 9.302 -1.146 1.00 40.41 N ATOM 1412 CA LYS A 86 11.427 8.226 -1.562 1.00 3.34 C ATOM 1413 C LYS A 86 11.852 7.339 -0.368 1.00 24.50 C ATOM 1414 O LYS A 86 12.789 6.547 -0.475 1.00 74.10 O ATOM 1415 CB LYS A 86 12.686 8.828 -2.226 1.00 44.32 C ATOM 1416 CG LYS A 86 12.399 9.882 -3.304 1.00 42.24 C ATOM 1417 CD LYS A 86 11.776 9.294 -4.572 1.00 4.44 C ATOM 1418 CE LYS A 86 12.800 8.597 -5.471 1.00 54.30 C ATOM 1419 NZ LYS A 86 13.325 7.337 -4.880 1.00 42.25 N ATOM 0 H LYS A 86 9.600 9.279 -1.622 1.00 40.41 H new ATOM 0 HA LYS A 86 10.894 7.601 -2.279 1.00 3.34 H new ATOM 0 HB2 LYS A 86 13.308 9.279 -1.453 1.00 44.32 H new ATOM 0 HB3 LYS A 86 13.267 8.020 -2.672 1.00 44.32 H new ATOM 0 HG2 LYS A 86 11.729 10.638 -2.895 1.00 42.24 H new ATOM 0 HG3 LYS A 86 13.329 10.388 -3.565 1.00 42.24 H new ATOM 0 HD2 LYS A 86 11.000 8.581 -4.293 1.00 4.44 H new ATOM 0 HD3 LYS A 86 11.289 10.091 -5.134 1.00 4.44 H new ATOM 0 HE2 LYS A 86 12.340 8.377 -6.434 1.00 54.30 H new ATOM 0 HE3 LYS A 86 13.631 9.277 -5.662 1.00 54.30 H new ATOM 0 HZ1 LYS A 86 13.481 6.638 -5.634 1.00 42.25 H new ATOM 0 HZ2 LYS A 86 14.225 7.530 -4.395 1.00 42.25 H new ATOM 0 HZ3 LYS A 86 12.637 6.961 -4.197 1.00 42.25 H new ATOM 1433 N LEU A 87 11.130 7.445 0.751 1.00 24.11 N ATOM 1434 CA LEU A 87 11.570 6.848 2.025 1.00 53.22 C ATOM 1435 C LEU A 87 11.088 5.388 2.203 1.00 43.01 C ATOM 1436 O LEU A 87 10.990 4.891 3.325 1.00 52.04 O ATOM 1437 CB LEU A 87 11.095 7.731 3.205 1.00 44.15 C ATOM 1438 CG LEU A 87 9.664 7.489 3.733 1.00 30.20 C ATOM 1439 CD1 LEU A 87 9.343 8.452 4.873 1.00 42.45 C ATOM 1440 CD2 LEU A 87 8.631 7.617 2.621 1.00 44.32 C ATOM 0 H LEU A 87 10.238 7.937 0.805 1.00 24.11 H new ATOM 0 HA LEU A 87 12.659 6.810 2.010 1.00 53.22 H new ATOM 0 HB2 LEU A 87 11.789 7.591 4.033 1.00 44.15 H new ATOM 0 HB3 LEU A 87 11.171 8.774 2.899 1.00 44.15 H new ATOM 0 HG LEU A 87 9.619 6.469 4.114 1.00 30.20 H new ATOM 0 HD11 LEU A 87 8.331 8.266 5.232 1.00 42.45 H new ATOM 0 HD12 LEU A 87 10.051 8.300 5.688 1.00 42.45 H new ATOM 0 HD13 LEU A 87 9.418 9.479 4.514 1.00 42.45 H new ATOM 0 HD21 LEU A 87 7.635 7.441 3.027 1.00 44.32 H new ATOM 0 HD22 LEU A 87 8.677 8.619 2.195 1.00 44.32 H new ATOM 0 HD23 LEU A 87 8.841 6.883 1.843 1.00 44.32 H new ATOM 1452 N TRP A 88 10.842 4.692 1.091 1.00 32.40 N ATOM 1453 CA TRP A 88 10.340 3.302 1.123 1.00 22.21 C ATOM 1454 C TRP A 88 11.186 2.367 2.017 1.00 73.12 C ATOM 1455 O TRP A 88 10.694 1.334 2.475 1.00 50.21 O ATOM 1456 CB TRP A 88 10.271 2.723 -0.298 1.00 22.30 C ATOM 1457 CG TRP A 88 9.147 3.271 -1.133 1.00 54.45 C ATOM 1458 CD1 TRP A 88 9.213 4.281 -2.054 1.00 44.22 C ATOM 1459 CD2 TRP A 88 7.784 2.826 -1.126 1.00 12.13 C ATOM 1460 NE1 TRP A 88 7.976 4.484 -2.619 1.00 2.41 N ATOM 1461 CE2 TRP A 88 7.084 3.605 -2.066 1.00 72.43 C ATOM 1462 CE3 TRP A 88 7.090 1.839 -0.417 1.00 52.12 C ATOM 1463 CZ2 TRP A 88 5.723 3.433 -2.311 1.00 62.23 C ATOM 1464 CZ3 TRP A 88 5.739 1.668 -0.660 1.00 11.23 C ATOM 1465 CH2 TRP A 88 5.069 2.460 -1.603 1.00 3.00 C ATOM 0 H TRP A 88 10.980 5.063 0.151 1.00 32.40 H new ATOM 0 HA TRP A 88 9.342 3.351 1.559 1.00 22.21 H new ATOM 0 HB2 TRP A 88 11.215 2.921 -0.805 1.00 22.30 H new ATOM 0 HB3 TRP A 88 10.165 1.640 -0.232 1.00 22.30 H new ATOM 0 HD1 TRP A 88 10.105 4.837 -2.301 1.00 44.22 H new ATOM 0 HE1 TRP A 88 7.758 5.177 -3.335 1.00 2.41 H new ATOM 0 HE3 TRP A 88 7.600 1.222 0.307 1.00 52.12 H new ATOM 0 HZ2 TRP A 88 5.203 4.045 -3.033 1.00 62.23 H new ATOM 0 HZ3 TRP A 88 5.192 0.913 -0.115 1.00 11.23 H new ATOM 0 HH2 TRP A 88 4.015 2.299 -1.775 1.00 3.00 H new ATOM 1476 N ARG A 89 12.449 2.728 2.269 1.00 5.24 N ATOM 1477 CA ARG A 89 13.325 1.915 3.133 1.00 71.22 C ATOM 1478 C ARG A 89 12.739 1.785 4.552 1.00 23.41 C ATOM 1479 O ARG A 89 12.972 0.793 5.251 1.00 41.30 O ATOM 1480 CB ARG A 89 14.734 2.522 3.215 1.00 42.21 C ATOM 1481 CG ARG A 89 15.357 2.856 1.862 1.00 32.24 C ATOM 1482 CD ARG A 89 16.845 3.196 1.990 1.00 13.42 C ATOM 1483 NE ARG A 89 17.115 4.085 3.122 1.00 55.03 N ATOM 1484 CZ ARG A 89 18.131 4.899 3.203 1.00 22.11 C ATOM 1485 NH1 ARG A 89 18.945 5.051 2.210 1.00 5.03 N ATOM 1486 NH2 ARG A 89 18.323 5.572 4.289 1.00 52.14 N ATOM 0 H ARG A 89 12.888 3.568 1.893 1.00 5.24 H new ATOM 0 HA ARG A 89 13.391 0.923 2.686 1.00 71.22 H new ATOM 0 HB2 ARG A 89 14.690 3.431 3.815 1.00 42.21 H new ATOM 0 HB3 ARG A 89 15.387 1.824 3.740 1.00 42.21 H new ATOM 0 HG2 ARG A 89 15.234 2.010 1.186 1.00 32.24 H new ATOM 0 HG3 ARG A 89 14.828 3.699 1.416 1.00 32.24 H new ATOM 0 HD2 ARG A 89 17.417 2.276 2.109 1.00 13.42 H new ATOM 0 HD3 ARG A 89 17.188 3.668 1.070 1.00 13.42 H new ATOM 0 HE ARG A 89 16.461 4.066 3.904 1.00 55.03 H new ATOM 0 HH11 ARG A 89 18.798 4.530 1.346 1.00 5.03 H new ATOM 0 HH12 ARG A 89 19.734 5.692 2.291 1.00 5.03 H new ATOM 0 HH21 ARG A 89 17.682 5.465 5.075 1.00 52.14 H new ATOM 0 HH22 ARG A 89 19.115 6.210 4.360 1.00 52.14 H new ATOM 1500 N GLU A 90 11.994 2.805 4.976 1.00 14.13 N ATOM 1501 CA GLU A 90 11.288 2.774 6.260 1.00 54.43 C ATOM 1502 C GLU A 90 10.188 1.707 6.245 1.00 11.02 C ATOM 1503 O GLU A 90 9.941 1.029 7.245 1.00 22.24 O ATOM 1504 CB GLU A 90 10.662 4.147 6.556 1.00 71.05 C ATOM 1505 CG GLU A 90 11.674 5.276 6.697 1.00 51.01 C ATOM 1506 CD GLU A 90 12.605 5.080 7.881 1.00 72.21 C ATOM 1507 OE1 GLU A 90 12.120 5.106 9.031 1.00 43.13 O ATOM 1508 OE2 GLU A 90 13.822 4.886 7.671 1.00 40.54 O ATOM 0 H GLU A 90 11.862 3.668 4.448 1.00 14.13 H new ATOM 0 HA GLU A 90 12.010 2.529 7.039 1.00 54.43 H new ATOM 0 HB2 GLU A 90 9.965 4.396 5.756 1.00 71.05 H new ATOM 0 HB3 GLU A 90 10.080 4.078 7.475 1.00 71.05 H new ATOM 0 HG2 GLU A 90 12.264 5.347 5.783 1.00 51.01 H new ATOM 0 HG3 GLU A 90 11.144 6.222 6.808 1.00 51.01 H new ATOM 1515 N ILE A 91 9.538 1.567 5.092 1.00 13.00 N ATOM 1516 CA ILE A 91 8.430 0.626 4.931 1.00 41.22 C ATOM 1517 C ILE A 91 8.925 -0.828 5.011 1.00 22.23 C ATOM 1518 O ILE A 91 8.392 -1.630 5.780 1.00 15.11 O ATOM 1519 CB ILE A 91 7.697 0.848 3.583 1.00 65.53 C ATOM 1520 CG1 ILE A 91 7.355 2.338 3.387 1.00 12.23 C ATOM 1521 CG2 ILE A 91 6.436 -0.009 3.512 1.00 74.11 C ATOM 1522 CD1 ILE A 91 6.472 2.925 4.473 1.00 70.14 C ATOM 0 H ILE A 91 9.761 2.097 4.249 1.00 13.00 H new ATOM 0 HA ILE A 91 7.731 0.809 5.747 1.00 41.22 H new ATOM 0 HB ILE A 91 8.364 0.544 2.776 1.00 65.53 H new ATOM 0 HG12 ILE A 91 8.283 2.909 3.342 1.00 12.23 H new ATOM 0 HG13 ILE A 91 6.858 2.461 2.425 1.00 12.23 H new ATOM 0 HG21 ILE A 91 5.935 0.160 2.559 1.00 74.11 H new ATOM 0 HG22 ILE A 91 6.706 -1.061 3.598 1.00 74.11 H new ATOM 0 HG23 ILE A 91 5.766 0.262 4.328 1.00 74.11 H new ATOM 0 HD11 ILE A 91 6.280 3.976 4.258 1.00 70.14 H new ATOM 0 HD12 ILE A 91 5.527 2.383 4.506 1.00 70.14 H new ATOM 0 HD13 ILE A 91 6.974 2.838 5.437 1.00 70.14 H new ATOM 1534 N THR A 92 9.960 -1.153 4.228 1.00 5.33 N ATOM 1535 CA THR A 92 10.544 -2.506 4.235 1.00 41.44 C ATOM 1536 C THR A 92 10.984 -2.915 5.643 1.00 55.44 C ATOM 1537 O THR A 92 10.582 -3.963 6.148 1.00 64.13 O ATOM 1538 CB THR A 92 11.771 -2.622 3.296 1.00 44.53 C ATOM 1539 OG1 THR A 92 12.728 -1.602 3.613 1.00 14.31 O ATOM 1540 CG2 THR A 92 11.368 -2.512 1.830 1.00 32.02 C ATOM 0 H THR A 92 10.411 -0.504 3.583 1.00 5.33 H new ATOM 0 HA THR A 92 9.757 -3.170 3.879 1.00 41.44 H new ATOM 0 HB THR A 92 12.216 -3.605 3.450 1.00 44.53 H new ATOM 0 HG1 THR A 92 13.501 -1.682 3.017 1.00 14.31 H new ATOM 0 HG21 THR A 92 12.254 -2.598 1.202 1.00 32.02 H new ATOM 0 HG22 THR A 92 10.670 -3.312 1.584 1.00 32.02 H new ATOM 0 HG23 THR A 92 10.891 -1.548 1.655 1.00 32.02 H new ATOM 1548 N LYS A 93 11.801 -2.077 6.282 1.00 22.25 N ATOM 1549 CA LYS A 93 12.313 -2.380 7.623 1.00 32.10 C ATOM 1550 C LYS A 93 11.164 -2.550 8.631 1.00 21.15 C ATOM 1551 O LYS A 93 11.245 -3.366 9.553 1.00 21.32 O ATOM 1552 CB LYS A 93 13.276 -1.279 8.093 1.00 33.55 C ATOM 1553 CG LYS A 93 14.189 -1.715 9.241 1.00 23.54 C ATOM 1554 CD LYS A 93 15.166 -2.807 8.793 1.00 3.04 C ATOM 1555 CE LYS A 93 16.056 -3.295 9.932 1.00 51.41 C ATOM 1556 NZ LYS A 93 16.786 -2.178 10.593 1.00 53.33 N ATOM 0 H LYS A 93 12.122 -1.188 5.898 1.00 22.25 H new ATOM 0 HA LYS A 93 12.857 -3.323 7.568 1.00 32.10 H new ATOM 0 HB2 LYS A 93 13.891 -0.962 7.251 1.00 33.55 H new ATOM 0 HB3 LYS A 93 12.697 -0.412 8.409 1.00 33.55 H new ATOM 0 HG2 LYS A 93 14.747 -0.855 9.611 1.00 23.54 H new ATOM 0 HG3 LYS A 93 13.584 -2.083 10.070 1.00 23.54 H new ATOM 0 HD2 LYS A 93 14.605 -3.649 8.388 1.00 3.04 H new ATOM 0 HD3 LYS A 93 15.791 -2.423 7.986 1.00 3.04 H new ATOM 0 HE2 LYS A 93 15.446 -3.815 10.670 1.00 51.41 H new ATOM 0 HE3 LYS A 93 16.774 -4.018 9.545 1.00 51.41 H new ATOM 0 HZ1 LYS A 93 17.501 -2.566 11.241 1.00 53.33 H new ATOM 0 HZ2 LYS A 93 17.254 -1.594 9.871 1.00 53.33 H new ATOM 0 HZ3 LYS A 93 16.114 -1.593 11.129 1.00 53.33 H new ATOM 1570 N GLY A 94 10.090 -1.783 8.439 1.00 35.31 N ATOM 1571 CA GLY A 94 8.907 -1.913 9.283 1.00 0.22 C ATOM 1572 C GLY A 94 8.201 -3.260 9.121 1.00 1.14 C ATOM 1573 O GLY A 94 7.476 -3.703 10.014 1.00 51.51 O ATOM 0 H GLY A 94 10.017 -1.071 7.712 1.00 35.31 H new ATOM 0 HA2 GLY A 94 9.196 -1.784 10.326 1.00 0.22 H new ATOM 0 HA3 GLY A 94 8.208 -1.112 9.044 1.00 0.22 H new ATOM 1577 N LEU A 95 8.411 -3.906 7.973 1.00 51.44 N ATOM 1578 CA LEU A 95 7.846 -5.234 7.702 1.00 64.53 C ATOM 1579 C LEU A 95 8.886 -6.337 7.969 1.00 0.32 C ATOM 1580 O LEU A 95 8.682 -7.496 7.607 1.00 72.31 O ATOM 1581 CB LEU A 95 7.379 -5.315 6.240 1.00 33.32 C ATOM 1582 CG LEU A 95 6.499 -4.151 5.758 1.00 75.33 C ATOM 1583 CD1 LEU A 95 6.084 -4.353 4.304 1.00 75.40 C ATOM 1584 CD2 LEU A 95 5.275 -3.983 6.651 1.00 11.44 C ATOM 0 H LEU A 95 8.972 -3.530 7.209 1.00 51.44 H new ATOM 0 HA LEU A 95 6.997 -5.386 8.368 1.00 64.53 H new ATOM 0 HB2 LEU A 95 8.259 -5.371 5.599 1.00 33.32 H new ATOM 0 HB3 LEU A 95 6.826 -6.245 6.105 1.00 33.32 H new ATOM 0 HG LEU A 95 7.088 -3.236 5.821 1.00 75.33 H new ATOM 0 HD11 LEU A 95 5.462 -3.517 3.984 1.00 75.40 H new ATOM 0 HD12 LEU A 95 6.973 -4.405 3.676 1.00 75.40 H new ATOM 0 HD13 LEU A 95 5.520 -5.281 4.212 1.00 75.40 H new ATOM 0 HD21 LEU A 95 4.670 -3.152 6.287 1.00 11.44 H new ATOM 0 HD22 LEU A 95 4.683 -4.898 6.633 1.00 11.44 H new ATOM 0 HD23 LEU A 95 5.595 -3.778 7.673 1.00 11.44 H new ATOM 1596 N ASN A 96 10.004 -5.951 8.598 1.00 2.43 N ATOM 1597 CA ASN A 96 11.131 -6.861 8.881 1.00 3.24 C ATOM 1598 C ASN A 96 11.856 -7.283 7.583 1.00 71.45 C ATOM 1599 O ASN A 96 12.629 -8.245 7.567 1.00 3.53 O ATOM 1600 CB ASN A 96 10.659 -8.100 9.668 1.00 41.33 C ATOM 1601 CG ASN A 96 11.811 -8.919 10.237 1.00 13.25 C ATOM 1602 OD1 ASN A 96 11.742 -10.145 10.318 1.00 1.13 O ATOM 1603 ND2 ASN A 96 12.874 -8.254 10.655 1.00 21.41 N ATOM 0 H ASN A 96 10.156 -4.998 8.927 1.00 2.43 H new ATOM 0 HA ASN A 96 11.844 -6.315 9.499 1.00 3.24 H new ATOM 0 HB2 ASN A 96 10.010 -7.780 10.484 1.00 41.33 H new ATOM 0 HB3 ASN A 96 10.059 -8.733 9.013 1.00 41.33 H new ATOM 0 HD21 ASN A 96 13.665 -8.757 11.057 1.00 21.41 H new ATOM 0 HD22 ASN A 96 12.904 -7.238 10.575 1.00 21.41 H new ATOM 1610 N LEU A 97 11.628 -6.536 6.505 1.00 2.25 N ATOM 1611 CA LEU A 97 12.256 -6.824 5.209 1.00 21.14 C ATOM 1612 C LEU A 97 13.622 -6.125 5.086 1.00 74.33 C ATOM 1613 O LEU A 97 13.801 -5.001 5.562 1.00 14.40 O ATOM 1614 CB LEU A 97 11.336 -6.379 4.059 1.00 2.22 C ATOM 1615 CG LEU A 97 9.901 -6.927 4.113 1.00 71.45 C ATOM 1616 CD1 LEU A 97 9.091 -6.444 2.913 1.00 4.44 C ATOM 1617 CD2 LEU A 97 9.901 -8.451 4.192 1.00 23.32 C ATOM 0 H LEU A 97 11.012 -5.723 6.499 1.00 2.25 H new ATOM 0 HA LEU A 97 12.414 -7.901 5.146 1.00 21.14 H new ATOM 0 HB2 LEU A 97 11.291 -5.290 4.053 1.00 2.22 H new ATOM 0 HB3 LEU A 97 11.788 -6.685 3.115 1.00 2.22 H new ATOM 0 HG LEU A 97 9.428 -6.544 5.017 1.00 71.45 H new ATOM 0 HD11 LEU A 97 8.079 -6.844 2.972 1.00 4.44 H new ATOM 0 HD12 LEU A 97 9.051 -5.355 2.916 1.00 4.44 H new ATOM 0 HD13 LEU A 97 9.564 -6.788 1.993 1.00 4.44 H new ATOM 0 HD21 LEU A 97 8.874 -8.813 4.229 1.00 23.32 H new ATOM 0 HD22 LEU A 97 10.399 -8.861 3.313 1.00 23.32 H new ATOM 0 HD23 LEU A 97 10.430 -8.769 5.090 1.00 23.32 H new ATOM 1629 N PRO A 98 14.607 -6.781 4.441 1.00 13.05 N ATOM 1630 CA PRO A 98 15.954 -6.215 4.268 1.00 51.24 C ATOM 1631 C PRO A 98 15.972 -5.003 3.316 1.00 63.44 C ATOM 1632 O PRO A 98 15.298 -4.993 2.288 1.00 73.54 O ATOM 1633 CB PRO A 98 16.760 -7.385 3.685 1.00 11.43 C ATOM 1634 CG PRO A 98 15.746 -8.250 3.015 1.00 63.10 C ATOM 1635 CD PRO A 98 14.483 -8.118 3.829 1.00 4.14 C ATOM 0 HA PRO A 98 16.358 -5.831 5.205 1.00 51.24 H new ATOM 0 HB2 PRO A 98 17.511 -7.034 2.977 1.00 11.43 H new ATOM 0 HB3 PRO A 98 17.289 -7.929 4.467 1.00 11.43 H new ATOM 0 HG2 PRO A 98 15.581 -7.932 1.985 1.00 63.10 H new ATOM 0 HG3 PRO A 98 16.080 -9.287 2.979 1.00 63.10 H new ATOM 0 HD2 PRO A 98 13.593 -8.193 3.204 1.00 4.14 H new ATOM 0 HD3 PRO A 98 14.409 -8.900 4.585 1.00 4.14 H new ATOM 1643 N THR A 99 16.765 -3.990 3.655 1.00 22.33 N ATOM 1644 CA THR A 99 16.825 -2.753 2.858 1.00 41.03 C ATOM 1645 C THR A 99 17.623 -2.936 1.554 1.00 62.22 C ATOM 1646 O THR A 99 17.572 -2.087 0.660 1.00 3.43 O ATOM 1647 CB THR A 99 17.442 -1.580 3.669 1.00 13.52 C ATOM 1648 OG1 THR A 99 17.500 -0.381 2.872 1.00 13.04 O ATOM 1649 CG2 THR A 99 18.842 -1.932 4.171 1.00 45.10 C ATOM 0 H THR A 99 17.376 -3.994 4.472 1.00 22.33 H new ATOM 0 HA THR A 99 15.793 -2.512 2.603 1.00 41.03 H new ATOM 0 HB THR A 99 16.797 -1.403 4.530 1.00 13.52 H new ATOM 0 HG1 THR A 99 17.525 -0.621 1.922 1.00 13.04 H new ATOM 0 HG21 THR A 99 19.248 -1.092 4.735 1.00 45.10 H new ATOM 0 HG22 THR A 99 18.788 -2.809 4.815 1.00 45.10 H new ATOM 0 HG23 THR A 99 19.490 -2.146 3.321 1.00 45.10 H new ATOM 1657 N SER A 100 18.356 -4.044 1.442 1.00 23.22 N ATOM 1658 CA SER A 100 19.203 -4.303 0.261 1.00 23.03 C ATOM 1659 C SER A 100 18.419 -4.925 -0.911 1.00 14.44 C ATOM 1660 O SER A 100 19.011 -5.305 -1.924 1.00 12.01 O ATOM 1661 CB SER A 100 20.383 -5.217 0.630 1.00 61.34 C ATOM 1662 OG SER A 100 21.257 -5.417 -0.478 1.00 4.44 O ATOM 0 H SER A 100 18.385 -4.779 2.149 1.00 23.22 H new ATOM 0 HA SER A 100 19.575 -3.333 -0.069 1.00 23.03 H new ATOM 0 HB2 SER A 100 20.939 -4.778 1.458 1.00 61.34 H new ATOM 0 HB3 SER A 100 20.005 -6.180 0.974 1.00 61.34 H new ATOM 0 HG SER A 100 20.735 -5.438 -1.307 1.00 4.44 H new ATOM 1668 N ILE A 101 17.096 -5.033 -0.780 1.00 12.42 N ATOM 1669 CA ILE A 101 16.258 -5.563 -1.865 1.00 31.22 C ATOM 1670 C ILE A 101 16.355 -4.683 -3.127 1.00 12.14 C ATOM 1671 O ILE A 101 16.074 -3.481 -3.087 1.00 44.24 O ATOM 1672 CB ILE A 101 14.773 -5.680 -1.432 1.00 53.12 C ATOM 1673 CG1 ILE A 101 14.631 -6.635 -0.234 1.00 71.30 C ATOM 1674 CG2 ILE A 101 13.905 -6.150 -2.602 1.00 12.33 C ATOM 1675 CD1 ILE A 101 13.219 -6.730 0.313 1.00 63.21 C ATOM 0 H ILE A 101 16.582 -4.764 0.059 1.00 12.42 H new ATOM 0 HA ILE A 101 16.635 -6.559 -2.096 1.00 31.22 H new ATOM 0 HB ILE A 101 14.428 -4.693 -1.125 1.00 53.12 H new ATOM 0 HG12 ILE A 101 14.962 -7.629 -0.534 1.00 71.30 H new ATOM 0 HG13 ILE A 101 15.297 -6.304 0.563 1.00 71.30 H new ATOM 0 HG21 ILE A 101 12.867 -6.226 -2.278 1.00 12.33 H new ATOM 0 HG22 ILE A 101 13.978 -5.434 -3.420 1.00 12.33 H new ATOM 0 HG23 ILE A 101 14.251 -7.126 -2.942 1.00 12.33 H new ATOM 0 HD11 ILE A 101 13.201 -7.422 1.155 1.00 63.21 H new ATOM 0 HD12 ILE A 101 12.891 -5.745 0.645 1.00 63.21 H new ATOM 0 HD13 ILE A 101 12.550 -7.091 -0.468 1.00 63.21 H new ATOM 1687 N THR A 102 16.759 -5.294 -4.239 1.00 43.11 N ATOM 1688 CA THR A 102 16.958 -4.575 -5.507 1.00 32.41 C ATOM 1689 C THR A 102 15.699 -3.817 -5.958 1.00 13.41 C ATOM 1690 O THR A 102 14.679 -4.427 -6.294 1.00 72.22 O ATOM 1691 CB THR A 102 17.383 -5.539 -6.643 1.00 71.15 C ATOM 1692 OG1 THR A 102 18.543 -6.287 -6.248 1.00 73.20 O ATOM 1693 CG2 THR A 102 17.689 -4.778 -7.931 1.00 11.20 C ATOM 0 H THR A 102 16.958 -6.293 -4.293 1.00 43.11 H new ATOM 0 HA THR A 102 17.752 -3.853 -5.315 1.00 32.41 H new ATOM 0 HB THR A 102 16.551 -6.218 -6.830 1.00 71.15 H new ATOM 0 HG1 THR A 102 18.803 -6.894 -6.972 1.00 73.20 H new ATOM 0 HG21 THR A 102 17.984 -5.483 -8.709 1.00 11.20 H new ATOM 0 HG22 THR A 102 16.801 -4.234 -8.252 1.00 11.20 H new ATOM 0 HG23 THR A 102 18.501 -4.073 -7.753 1.00 11.20 H new ATOM 1701 N SER A 103 15.781 -2.483 -5.954 1.00 52.34 N ATOM 1702 CA SER A 103 14.693 -1.616 -6.442 1.00 64.24 C ATOM 1703 C SER A 103 13.387 -1.803 -5.650 1.00 23.14 C ATOM 1704 O SER A 103 12.292 -1.600 -6.184 1.00 11.01 O ATOM 1705 CB SER A 103 14.447 -1.858 -7.941 1.00 73.53 C ATOM 1706 OG SER A 103 15.596 -1.519 -8.705 1.00 54.02 O ATOM 0 H SER A 103 16.596 -1.972 -5.616 1.00 52.34 H new ATOM 0 HA SER A 103 15.015 -0.586 -6.289 1.00 64.24 H new ATOM 0 HB2 SER A 103 14.191 -2.904 -8.107 1.00 73.53 H new ATOM 0 HB3 SER A 103 13.596 -1.264 -8.274 1.00 73.53 H new ATOM 0 HG SER A 103 15.417 -1.682 -9.655 1.00 54.02 H new ATOM 1712 N ALA A 104 13.513 -2.152 -4.369 1.00 61.34 N ATOM 1713 CA ALA A 104 12.354 -2.328 -3.484 1.00 41.21 C ATOM 1714 C ALA A 104 11.427 -1.105 -3.508 1.00 74.24 C ATOM 1715 O ALA A 104 10.206 -1.240 -3.577 1.00 14.53 O ATOM 1716 CB ALA A 104 12.819 -2.606 -2.058 1.00 73.03 C ATOM 0 H ALA A 104 14.411 -2.320 -3.916 1.00 61.34 H new ATOM 0 HA ALA A 104 11.785 -3.182 -3.852 1.00 41.21 H new ATOM 0 HB1 ALA A 104 11.951 -2.735 -1.411 1.00 73.03 H new ATOM 0 HB2 ALA A 104 13.421 -3.514 -2.042 1.00 73.03 H new ATOM 0 HB3 ALA A 104 13.417 -1.768 -1.700 1.00 73.03 H new ATOM 1722 N ALA A 105 12.022 0.086 -3.475 1.00 73.54 N ATOM 1723 CA ALA A 105 11.260 1.339 -3.478 1.00 63.30 C ATOM 1724 C ALA A 105 10.327 1.449 -4.696 1.00 54.52 C ATOM 1725 O ALA A 105 9.168 1.842 -4.572 1.00 34.23 O ATOM 1726 CB ALA A 105 12.214 2.526 -3.433 1.00 2.23 C ATOM 0 H ALA A 105 13.034 0.212 -3.446 1.00 73.54 H new ATOM 0 HA ALA A 105 10.629 1.343 -2.589 1.00 63.30 H new ATOM 0 HB1 ALA A 105 11.641 3.453 -3.435 1.00 2.23 H new ATOM 0 HB2 ALA A 105 12.817 2.474 -2.526 1.00 2.23 H new ATOM 0 HB3 ALA A 105 12.867 2.501 -4.305 1.00 2.23 H new ATOM 1732 N PHE A 106 10.839 1.096 -5.872 1.00 63.42 N ATOM 1733 CA PHE A 106 10.046 1.153 -7.106 1.00 43.43 C ATOM 1734 C PHE A 106 9.041 -0.011 -7.173 1.00 34.01 C ATOM 1735 O PHE A 106 7.933 0.140 -7.690 1.00 12.31 O ATOM 1736 CB PHE A 106 10.976 1.126 -8.332 1.00 51.25 C ATOM 1737 CG PHE A 106 10.272 1.423 -9.635 1.00 64.35 C ATOM 1738 CD1 PHE A 106 10.044 2.735 -10.027 1.00 61.03 C ATOM 1739 CD2 PHE A 106 9.838 0.396 -10.465 1.00 60.13 C ATOM 1740 CE1 PHE A 106 9.396 3.017 -11.215 1.00 12.52 C ATOM 1741 CE2 PHE A 106 9.189 0.674 -11.653 1.00 42.10 C ATOM 1742 CZ PHE A 106 8.970 1.985 -12.029 1.00 3.22 C ATOM 0 H PHE A 106 11.796 0.768 -6.001 1.00 63.42 H new ATOM 0 HA PHE A 106 9.482 2.086 -7.107 1.00 43.43 H new ATOM 0 HB2 PHE A 106 11.775 1.853 -8.187 1.00 51.25 H new ATOM 0 HB3 PHE A 106 11.446 0.145 -8.399 1.00 51.25 H new ATOM 0 HD1 PHE A 106 10.377 3.546 -9.396 1.00 61.03 H new ATOM 0 HD2 PHE A 106 10.010 -0.631 -10.178 1.00 60.13 H new ATOM 0 HE1 PHE A 106 9.223 4.042 -11.506 1.00 12.52 H new ATOM 0 HE2 PHE A 106 8.853 -0.133 -12.287 1.00 42.10 H new ATOM 0 HZ PHE A 106 8.466 2.203 -12.959 1.00 3.22 H new ATOM 1752 N THR A 107 9.434 -1.162 -6.626 1.00 13.34 N ATOM 1753 CA THR A 107 8.609 -2.381 -6.681 1.00 23.13 C ATOM 1754 C THR A 107 7.369 -2.270 -5.776 1.00 53.40 C ATOM 1755 O THR A 107 6.237 -2.463 -6.228 1.00 62.14 O ATOM 1756 CB THR A 107 9.429 -3.634 -6.268 1.00 34.23 C ATOM 1757 OG1 THR A 107 10.610 -3.750 -7.081 1.00 41.04 O ATOM 1758 CG2 THR A 107 8.606 -4.910 -6.399 1.00 33.04 C ATOM 0 H THR A 107 10.321 -1.281 -6.137 1.00 13.34 H new ATOM 0 HA THR A 107 8.281 -2.489 -7.715 1.00 23.13 H new ATOM 0 HB THR A 107 9.710 -3.507 -5.223 1.00 34.23 H new ATOM 0 HG1 THR A 107 11.238 -3.034 -6.850 1.00 41.04 H new ATOM 0 HG21 THR A 107 9.212 -5.766 -6.102 1.00 33.04 H new ATOM 0 HG22 THR A 107 7.729 -4.845 -5.755 1.00 33.04 H new ATOM 0 HG23 THR A 107 8.288 -5.033 -7.434 1.00 33.04 H new ATOM 1766 N LEU A 108 7.588 -1.938 -4.502 1.00 32.54 N ATOM 1767 CA LEU A 108 6.494 -1.799 -3.529 1.00 21.34 C ATOM 1768 C LEU A 108 5.439 -0.793 -4.012 1.00 42.24 C ATOM 1769 O LEU A 108 4.239 -0.977 -3.792 1.00 74.12 O ATOM 1770 CB LEU A 108 7.048 -1.354 -2.168 1.00 22.34 C ATOM 1771 CG LEU A 108 8.031 -2.328 -1.500 1.00 45.34 C ATOM 1772 CD1 LEU A 108 8.599 -1.719 -0.222 1.00 72.14 C ATOM 1773 CD2 LEU A 108 7.354 -3.667 -1.208 1.00 13.41 C ATOM 0 H LEU A 108 8.515 -1.759 -4.116 1.00 32.54 H new ATOM 0 HA LEU A 108 6.016 -2.773 -3.426 1.00 21.34 H new ATOM 0 HB2 LEU A 108 7.547 -0.393 -2.296 1.00 22.34 H new ATOM 0 HB3 LEU A 108 6.210 -1.191 -1.491 1.00 22.34 H new ATOM 0 HG LEU A 108 8.855 -2.510 -2.190 1.00 45.34 H new ATOM 0 HD11 LEU A 108 9.293 -2.422 0.239 1.00 72.14 H new ATOM 0 HD12 LEU A 108 9.124 -0.794 -0.462 1.00 72.14 H new ATOM 0 HD13 LEU A 108 7.786 -1.505 0.472 1.00 72.14 H new ATOM 0 HD21 LEU A 108 8.069 -4.341 -0.735 1.00 13.41 H new ATOM 0 HD22 LEU A 108 6.508 -3.509 -0.540 1.00 13.41 H new ATOM 0 HD23 LEU A 108 7.002 -4.108 -2.141 1.00 13.41 H new ATOM 1785 N ARG A 109 5.902 0.266 -4.678 1.00 11.03 N ATOM 1786 CA ARG A 109 5.018 1.293 -5.238 1.00 5.33 C ATOM 1787 C ARG A 109 3.938 0.674 -6.147 1.00 11.54 C ATOM 1788 O ARG A 109 2.777 1.083 -6.117 1.00 11.33 O ATOM 1789 CB ARG A 109 5.850 2.308 -6.038 1.00 73.42 C ATOM 1790 CG ARG A 109 5.058 3.517 -6.547 1.00 43.42 C ATOM 1791 CD ARG A 109 5.459 3.923 -7.970 1.00 45.44 C ATOM 1792 NE ARG A 109 4.680 3.209 -8.988 1.00 45.31 N ATOM 1793 CZ ARG A 109 4.961 2.017 -9.449 1.00 31.10 C ATOM 1794 NH1 ARG A 109 6.013 1.378 -9.048 1.00 44.21 N ATOM 1795 NH2 ARG A 109 4.185 1.458 -10.323 1.00 42.42 N ATOM 0 H ARG A 109 6.894 0.437 -4.844 1.00 11.03 H new ATOM 0 HA ARG A 109 4.515 1.794 -4.411 1.00 5.33 H new ATOM 0 HB2 ARG A 109 6.668 2.663 -5.411 1.00 73.42 H new ATOM 0 HB3 ARG A 109 6.300 1.799 -6.890 1.00 73.42 H new ATOM 0 HG2 ARG A 109 3.993 3.285 -6.525 1.00 43.42 H new ATOM 0 HG3 ARG A 109 5.215 4.360 -5.874 1.00 43.42 H new ATOM 0 HD2 ARG A 109 5.318 4.997 -8.093 1.00 45.44 H new ATOM 0 HD3 ARG A 109 6.520 3.722 -8.119 1.00 45.44 H new ATOM 0 HE ARG A 109 3.856 3.678 -9.365 1.00 45.31 H new ATOM 0 HH11 ARG A 109 6.637 1.803 -8.363 1.00 44.21 H new ATOM 0 HH12 ARG A 109 6.217 0.450 -9.417 1.00 44.21 H new ATOM 0 HH21 ARG A 109 3.353 1.947 -10.653 1.00 42.42 H new ATOM 0 HH22 ARG A 109 4.406 0.529 -10.681 1.00 42.42 H new ATOM 1809 N THR A 110 4.333 -0.317 -6.950 1.00 62.22 N ATOM 1810 CA THR A 110 3.411 -0.988 -7.881 1.00 1.23 C ATOM 1811 C THR A 110 2.422 -1.898 -7.135 1.00 4.33 C ATOM 1812 O THR A 110 1.207 -1.790 -7.309 1.00 50.42 O ATOM 1813 CB THR A 110 4.176 -1.837 -8.934 1.00 62.32 C ATOM 1814 OG1 THR A 110 5.101 -1.015 -9.669 1.00 24.44 O ATOM 1815 CG2 THR A 110 3.210 -2.506 -9.912 1.00 63.34 C ATOM 0 H THR A 110 5.287 -0.676 -6.977 1.00 62.22 H new ATOM 0 HA THR A 110 2.861 -0.197 -8.391 1.00 1.23 H new ATOM 0 HB THR A 110 4.724 -2.611 -8.396 1.00 62.32 H new ATOM 0 HG1 THR A 110 5.991 -1.424 -9.646 1.00 24.44 H new ATOM 0 HG21 THR A 110 3.774 -3.093 -10.637 1.00 63.34 H new ATOM 0 HG22 THR A 110 2.532 -3.160 -9.364 1.00 63.34 H new ATOM 0 HG23 THR A 110 2.634 -1.742 -10.434 1.00 63.34 H new ATOM 1823 N GLN A 111 2.953 -2.790 -6.301 1.00 3.01 N ATOM 1824 CA GLN A 111 2.125 -3.741 -5.541 1.00 24.12 C ATOM 1825 C GLN A 111 1.098 -3.027 -4.646 1.00 61.03 C ATOM 1826 O GLN A 111 -0.099 -3.331 -4.691 1.00 44.00 O ATOM 1827 CB GLN A 111 3.020 -4.667 -4.699 1.00 11.35 C ATOM 1828 CG GLN A 111 3.641 -5.825 -5.483 1.00 53.12 C ATOM 1829 CD GLN A 111 4.367 -5.395 -6.749 1.00 25.53 C ATOM 1830 OE1 GLN A 111 5.551 -5.094 -6.732 1.00 74.42 O ATOM 1831 NE2 GLN A 111 3.662 -5.381 -7.863 1.00 22.23 N ATOM 0 H GLN A 111 3.955 -2.879 -6.130 1.00 3.01 H new ATOM 0 HA GLN A 111 1.565 -4.338 -6.261 1.00 24.12 H new ATOM 0 HB2 GLN A 111 3.820 -4.074 -4.254 1.00 11.35 H new ATOM 0 HB3 GLN A 111 2.431 -5.074 -3.878 1.00 11.35 H new ATOM 0 HG2 GLN A 111 4.341 -6.354 -4.837 1.00 53.12 H new ATOM 0 HG3 GLN A 111 2.856 -6.533 -5.749 1.00 53.12 H new ATOM 0 HE21 GLN A 111 2.675 -5.638 -7.845 1.00 22.23 H new ATOM 0 HE22 GLN A 111 4.104 -5.114 -8.743 1.00 22.23 H new ATOM 1840 N TYR A 112 1.566 -2.078 -3.837 1.00 52.44 N ATOM 1841 CA TYR A 112 0.679 -1.289 -2.971 1.00 52.55 C ATOM 1842 C TYR A 112 -0.430 -0.607 -3.789 1.00 70.24 C ATOM 1843 O TYR A 112 -1.600 -0.603 -3.399 1.00 30.32 O ATOM 1844 CB TYR A 112 1.492 -0.233 -2.207 1.00 52.22 C ATOM 1845 CG TYR A 112 0.659 0.651 -1.290 1.00 41.25 C ATOM 1846 CD1 TYR A 112 0.328 0.235 -0.007 1.00 41.43 C ATOM 1847 CD2 TYR A 112 0.205 1.899 -1.708 1.00 10.23 C ATOM 1848 CE1 TYR A 112 -0.427 1.033 0.830 1.00 25.15 C ATOM 1849 CE2 TYR A 112 -0.550 2.703 -0.874 1.00 23.13 C ATOM 1850 CZ TYR A 112 -0.862 2.265 0.394 1.00 44.41 C ATOM 1851 OH TYR A 112 -1.612 3.061 1.228 1.00 20.35 O ATOM 0 H TYR A 112 2.553 -1.834 -3.760 1.00 52.44 H new ATOM 0 HA TYR A 112 0.209 -1.967 -2.259 1.00 52.55 H new ATOM 0 HB2 TYR A 112 2.254 -0.737 -1.613 1.00 52.22 H new ATOM 0 HB3 TYR A 112 2.014 0.398 -2.926 1.00 52.22 H new ATOM 0 HD1 TYR A 112 0.667 -0.729 0.342 1.00 41.43 H new ATOM 0 HD2 TYR A 112 0.447 2.245 -2.702 1.00 10.23 H new ATOM 0 HE1 TYR A 112 -0.676 0.692 1.824 1.00 25.15 H new ATOM 0 HE2 TYR A 112 -0.893 3.669 -1.215 1.00 23.13 H new ATOM 0 HH TYR A 112 -1.837 3.897 0.768 1.00 20.35 H new ATOM 1861 N MET A 113 -0.045 -0.050 -4.933 1.00 75.12 N ATOM 1862 CA MET A 113 -0.975 0.657 -5.819 1.00 24.32 C ATOM 1863 C MET A 113 -2.084 -0.268 -6.351 1.00 31.31 C ATOM 1864 O MET A 113 -3.243 0.134 -6.458 1.00 40.11 O ATOM 1865 CB MET A 113 -0.188 1.261 -6.985 1.00 22.43 C ATOM 1866 CG MET A 113 -1.012 2.131 -7.923 1.00 13.32 C ATOM 1867 SD MET A 113 -0.004 2.854 -9.231 1.00 62.04 S ATOM 1868 CE MET A 113 1.261 3.667 -8.258 1.00 11.42 C ATOM 0 H MET A 113 0.916 -0.073 -5.275 1.00 75.12 H new ATOM 0 HA MET A 113 -1.464 1.444 -5.244 1.00 24.32 H new ATOM 0 HB2 MET A 113 0.631 1.858 -6.583 1.00 22.43 H new ATOM 0 HB3 MET A 113 0.260 0.452 -7.561 1.00 22.43 H new ATOM 0 HG2 MET A 113 -1.808 1.533 -8.367 1.00 13.32 H new ATOM 0 HG3 MET A 113 -1.491 2.927 -7.353 1.00 13.32 H new ATOM 0 HE1 MET A 113 1.987 4.135 -8.923 1.00 11.42 H new ATOM 0 HE2 MET A 113 0.802 4.429 -7.628 1.00 11.42 H new ATOM 0 HE3 MET A 113 1.765 2.933 -7.630 1.00 11.42 H new ATOM 1878 N LYS A 114 -1.716 -1.503 -6.683 1.00 22.51 N ATOM 1879 CA LYS A 114 -2.673 -2.480 -7.219 1.00 44.44 C ATOM 1880 C LYS A 114 -3.754 -2.866 -6.194 1.00 70.44 C ATOM 1881 O LYS A 114 -4.946 -2.869 -6.504 1.00 35.33 O ATOM 1882 CB LYS A 114 -1.944 -3.756 -7.667 1.00 12.05 C ATOM 1883 CG LYS A 114 -0.991 -3.566 -8.844 1.00 32.33 C ATOM 1884 CD LYS A 114 -0.284 -4.875 -9.201 1.00 34.15 C ATOM 1885 CE LYS A 114 -1.277 -5.981 -9.552 1.00 73.11 C ATOM 1886 NZ LYS A 114 -0.603 -7.283 -9.793 1.00 61.11 N ATOM 0 H LYS A 114 -0.763 -1.855 -6.592 1.00 22.51 H new ATOM 0 HA LYS A 114 -3.160 -2.002 -8.069 1.00 44.44 H new ATOM 0 HB2 LYS A 114 -1.381 -4.152 -6.822 1.00 12.05 H new ATOM 0 HB3 LYS A 114 -2.687 -4.507 -7.936 1.00 12.05 H new ATOM 0 HG2 LYS A 114 -1.545 -3.202 -9.709 1.00 32.33 H new ATOM 0 HG3 LYS A 114 -0.250 -2.805 -8.596 1.00 32.33 H new ATOM 0 HD2 LYS A 114 0.386 -4.708 -10.044 1.00 34.15 H new ATOM 0 HD3 LYS A 114 0.334 -5.195 -8.362 1.00 34.15 H new ATOM 0 HE2 LYS A 114 -1.997 -6.091 -8.741 1.00 73.11 H new ATOM 0 HE3 LYS A 114 -1.839 -5.694 -10.441 1.00 73.11 H new ATOM 0 HZ1 LYS A 114 -1.043 -7.756 -10.608 1.00 61.11 H new ATOM 0 HZ2 LYS A 114 0.405 -7.121 -9.990 1.00 61.11 H new ATOM 0 HZ3 LYS A 114 -0.699 -7.885 -8.950 1.00 61.11 H new ATOM 1900 N TYR A 115 -3.329 -3.193 -4.975 1.00 30.41 N ATOM 1901 CA TYR A 115 -4.226 -3.822 -3.994 1.00 3.12 C ATOM 1902 C TYR A 115 -4.691 -2.859 -2.879 1.00 22.43 C ATOM 1903 O TYR A 115 -5.886 -2.763 -2.597 1.00 15.12 O ATOM 1904 CB TYR A 115 -3.529 -5.046 -3.375 1.00 72.11 C ATOM 1905 CG TYR A 115 -2.911 -5.981 -4.407 1.00 21.03 C ATOM 1906 CD1 TYR A 115 -3.705 -6.796 -5.211 1.00 2.50 C ATOM 1907 CD2 TYR A 115 -1.531 -6.041 -4.583 1.00 41.52 C ATOM 1908 CE1 TYR A 115 -3.144 -7.636 -6.157 1.00 0.11 C ATOM 1909 CE2 TYR A 115 -0.964 -6.880 -5.525 1.00 4.21 C ATOM 1910 CZ TYR A 115 -1.775 -7.674 -6.309 1.00 54.33 C ATOM 1911 OH TYR A 115 -1.211 -8.505 -7.251 1.00 73.41 O ATOM 0 H TYR A 115 -2.378 -3.037 -4.640 1.00 30.41 H new ATOM 0 HA TYR A 115 -5.124 -4.123 -4.533 1.00 3.12 H new ATOM 0 HB2 TYR A 115 -2.750 -4.704 -2.694 1.00 72.11 H new ATOM 0 HB3 TYR A 115 -4.252 -5.603 -2.779 1.00 72.11 H new ATOM 0 HD1 TYR A 115 -4.778 -6.772 -5.094 1.00 2.50 H new ATOM 0 HD2 TYR A 115 -0.891 -5.421 -3.972 1.00 41.52 H new ATOM 0 HE1 TYR A 115 -3.776 -8.259 -6.773 1.00 0.11 H new ATOM 0 HE2 TYR A 115 0.109 -6.913 -5.646 1.00 4.21 H new ATOM 0 HH TYR A 115 -1.903 -8.810 -7.875 1.00 73.41 H new ATOM 1921 N LEU A 116 -3.758 -2.142 -2.255 1.00 3.31 N ATOM 1922 CA LEU A 116 -4.059 -1.371 -1.034 1.00 54.24 C ATOM 1923 C LEU A 116 -4.447 0.094 -1.312 1.00 32.02 C ATOM 1924 O LEU A 116 -5.118 0.727 -0.493 1.00 40.34 O ATOM 1925 CB LEU A 116 -2.854 -1.411 -0.087 1.00 70.53 C ATOM 1926 CG LEU A 116 -2.440 -2.814 0.390 1.00 32.51 C ATOM 1927 CD1 LEU A 116 -1.182 -2.736 1.248 1.00 2.44 C ATOM 1928 CD2 LEU A 116 -3.575 -3.479 1.165 1.00 5.32 C ATOM 0 H LEU A 116 -2.789 -2.074 -2.567 1.00 3.31 H new ATOM 0 HA LEU A 116 -4.927 -1.844 -0.575 1.00 54.24 H new ATOM 0 HB2 LEU A 116 -2.003 -0.950 -0.588 1.00 70.53 H new ATOM 0 HB3 LEU A 116 -3.079 -0.800 0.787 1.00 70.53 H new ATOM 0 HG LEU A 116 -2.224 -3.423 -0.488 1.00 32.51 H new ATOM 0 HD11 LEU A 116 -0.903 -3.737 1.577 1.00 2.44 H new ATOM 0 HD12 LEU A 116 -0.369 -2.307 0.663 1.00 2.44 H new ATOM 0 HD13 LEU A 116 -1.374 -2.108 2.118 1.00 2.44 H new ATOM 0 HD21 LEU A 116 -3.260 -4.470 1.493 1.00 5.32 H new ATOM 0 HD22 LEU A 116 -3.826 -2.872 2.035 1.00 5.32 H new ATOM 0 HD23 LEU A 116 -4.450 -3.571 0.522 1.00 5.32 H new ATOM 1940 N TYR A 117 -4.042 0.626 -2.467 1.00 13.50 N ATOM 1941 CA TYR A 117 -4.271 2.048 -2.787 1.00 54.30 C ATOM 1942 C TYR A 117 -5.761 2.454 -2.710 1.00 43.23 C ATOM 1943 O TYR A 117 -6.089 3.477 -2.103 1.00 11.35 O ATOM 1944 CB TYR A 117 -3.698 2.398 -4.167 1.00 22.33 C ATOM 1945 CG TYR A 117 -3.943 3.839 -4.584 1.00 43.01 C ATOM 1946 CD1 TYR A 117 -3.314 4.890 -3.919 1.00 32.42 C ATOM 1947 CD2 TYR A 117 -4.803 4.150 -5.634 1.00 52.51 C ATOM 1948 CE1 TYR A 117 -3.535 6.203 -4.289 1.00 33.54 C ATOM 1949 CE2 TYR A 117 -5.028 5.463 -6.008 1.00 0.52 C ATOM 1950 CZ TYR A 117 -4.391 6.484 -5.333 1.00 53.31 C ATOM 1951 OH TYR A 117 -4.614 7.790 -5.706 1.00 2.24 O ATOM 0 H TYR A 117 -3.557 0.103 -3.196 1.00 13.50 H new ATOM 0 HA TYR A 117 -3.745 2.620 -2.022 1.00 54.30 H new ATOM 0 HB2 TYR A 117 -2.625 2.208 -4.164 1.00 22.33 H new ATOM 0 HB3 TYR A 117 -4.137 1.734 -4.912 1.00 22.33 H new ATOM 0 HD1 TYR A 117 -2.643 4.675 -3.101 1.00 32.42 H new ATOM 0 HD2 TYR A 117 -5.303 3.353 -6.165 1.00 52.51 H new ATOM 0 HE1 TYR A 117 -3.040 7.006 -3.763 1.00 33.54 H new ATOM 0 HE2 TYR A 117 -5.699 5.688 -6.824 1.00 0.52 H new ATOM 0 HH TYR A 117 -5.242 7.813 -6.458 1.00 2.24 H new ATOM 1961 N PRO A 118 -6.698 1.681 -3.314 1.00 53.13 N ATOM 1962 CA PRO A 118 -8.134 2.015 -3.253 1.00 33.13 C ATOM 1963 C PRO A 118 -8.650 2.165 -1.810 1.00 55.05 C ATOM 1964 O PRO A 118 -9.597 2.911 -1.549 1.00 0.34 O ATOM 1965 CB PRO A 118 -8.813 0.824 -3.963 1.00 54.35 C ATOM 1966 CG PRO A 118 -7.785 -0.259 -3.978 1.00 1.12 C ATOM 1967 CD PRO A 118 -6.464 0.445 -4.089 1.00 64.43 C ATOM 0 HA PRO A 118 -8.346 2.977 -3.719 1.00 33.13 H new ATOM 0 HB2 PRO A 118 -9.711 0.508 -3.431 1.00 54.35 H new ATOM 0 HB3 PRO A 118 -9.119 1.091 -4.975 1.00 54.35 H new ATOM 0 HG2 PRO A 118 -7.835 -0.860 -3.070 1.00 1.12 H new ATOM 0 HG3 PRO A 118 -7.941 -0.937 -4.818 1.00 1.12 H new ATOM 0 HD2 PRO A 118 -5.651 -0.149 -3.671 1.00 64.43 H new ATOM 0 HD3 PRO A 118 -6.203 0.659 -5.126 1.00 64.43 H new ATOM 1975 N TYR A 119 -8.001 1.477 -0.871 1.00 45.13 N ATOM 1976 CA TYR A 119 -8.437 1.472 0.527 1.00 31.11 C ATOM 1977 C TYR A 119 -8.097 2.803 1.235 1.00 45.11 C ATOM 1978 O TYR A 119 -8.917 3.333 1.991 1.00 11.41 O ATOM 1979 CB TYR A 119 -7.807 0.283 1.270 1.00 14.54 C ATOM 1980 CG TYR A 119 -8.627 -0.208 2.453 1.00 30.25 C ATOM 1981 CD1 TYR A 119 -8.463 0.337 3.722 1.00 4.52 C ATOM 1982 CD2 TYR A 119 -9.566 -1.224 2.296 1.00 24.14 C ATOM 1983 CE1 TYR A 119 -9.208 -0.115 4.797 1.00 1.40 C ATOM 1984 CE2 TYR A 119 -10.313 -1.680 3.365 1.00 34.45 C ATOM 1985 CZ TYR A 119 -10.131 -1.123 4.612 1.00 51.34 C ATOM 1986 OH TYR A 119 -10.873 -1.579 5.680 1.00 42.50 O ATOM 0 H TYR A 119 -7.170 0.915 -1.053 1.00 45.13 H new ATOM 0 HA TYR A 119 -9.522 1.365 0.542 1.00 31.11 H new ATOM 0 HB2 TYR A 119 -7.670 -0.540 0.569 1.00 14.54 H new ATOM 0 HB3 TYR A 119 -6.816 0.570 1.621 1.00 14.54 H new ATOM 0 HD1 TYR A 119 -7.742 1.127 3.871 1.00 4.52 H new ATOM 0 HD2 TYR A 119 -9.713 -1.664 1.321 1.00 24.14 H new ATOM 0 HE1 TYR A 119 -9.067 0.319 5.776 1.00 1.40 H new ATOM 0 HE2 TYR A 119 -11.036 -2.469 3.224 1.00 34.45 H new ATOM 0 HH TYR A 119 -11.004 -0.851 6.322 1.00 42.50 H new ATOM 1996 N GLU A 120 -6.896 3.353 0.992 1.00 74.11 N ATOM 1997 CA GLU A 120 -6.519 4.646 1.599 1.00 75.35 C ATOM 1998 C GLU A 120 -7.399 5.773 1.042 1.00 33.52 C ATOM 1999 O GLU A 120 -7.821 6.670 1.774 1.00 31.14 O ATOM 2000 CB GLU A 120 -5.029 4.995 1.373 1.00 31.20 C ATOM 2001 CG GLU A 120 -4.672 5.390 -0.063 1.00 12.12 C ATOM 2002 CD GLU A 120 -3.336 6.123 -0.170 1.00 63.53 C ATOM 2003 OE1 GLU A 120 -2.288 5.450 -0.243 1.00 53.14 O ATOM 2004 OE2 GLU A 120 -3.334 7.378 -0.188 1.00 1.20 O ATOM 0 H GLU A 120 -6.182 2.937 0.394 1.00 74.11 H new ATOM 0 HA GLU A 120 -6.676 4.547 2.673 1.00 75.35 H new ATOM 0 HB2 GLU A 120 -4.757 5.815 2.038 1.00 31.20 H new ATOM 0 HB3 GLU A 120 -4.422 4.137 1.660 1.00 31.20 H new ATOM 0 HG2 GLU A 120 -4.638 4.493 -0.682 1.00 12.12 H new ATOM 0 HG3 GLU A 120 -5.461 6.025 -0.465 1.00 12.12 H new ATOM 2011 N CYS A 121 -7.678 5.709 -0.257 1.00 10.35 N ATOM 2012 CA CYS A 121 -8.531 6.696 -0.928 1.00 30.34 C ATOM 2013 C CYS A 121 -9.973 6.649 -0.396 1.00 43.43 C ATOM 2014 O CYS A 121 -10.594 7.685 -0.157 1.00 32.13 O ATOM 2015 CB CYS A 121 -8.524 6.455 -2.443 1.00 23.03 C ATOM 2016 SG CYS A 121 -9.566 7.590 -3.388 1.00 34.20 S ATOM 0 H CYS A 121 -7.324 4.978 -0.874 1.00 10.35 H new ATOM 0 HA CYS A 121 -8.126 7.686 -0.716 1.00 30.34 H new ATOM 0 HB2 CYS A 121 -7.499 6.535 -2.806 1.00 23.03 H new ATOM 0 HB3 CYS A 121 -8.852 5.434 -2.637 1.00 23.03 H new ATOM 0 HG CYS A 121 -9.486 7.301 -4.653 1.00 34.20 H new ATOM 2022 N GLU A 122 -10.490 5.441 -0.193 1.00 24.13 N ATOM 2023 CA GLU A 122 -11.869 5.251 0.276 1.00 24.03 C ATOM 2024 C GLU A 122 -12.063 5.708 1.737 1.00 53.34 C ATOM 2025 O GLU A 122 -12.991 6.453 2.049 1.00 32.42 O ATOM 2026 CB GLU A 122 -12.256 3.772 0.137 1.00 75.44 C ATOM 2027 CG GLU A 122 -13.679 3.450 0.583 1.00 72.32 C ATOM 2028 CD GLU A 122 -14.734 4.207 -0.211 1.00 50.21 C ATOM 2029 OE1 GLU A 122 -14.953 3.871 -1.396 1.00 2.44 O ATOM 2030 OE2 GLU A 122 -15.364 5.126 0.347 1.00 15.10 O ATOM 0 H GLU A 122 -9.977 4.573 -0.345 1.00 24.13 H new ATOM 0 HA GLU A 122 -12.516 5.872 -0.344 1.00 24.03 H new ATOM 0 HB2 GLU A 122 -12.138 3.474 -0.905 1.00 75.44 H new ATOM 0 HB3 GLU A 122 -11.560 3.170 0.721 1.00 75.44 H new ATOM 0 HG2 GLU A 122 -13.853 2.379 0.480 1.00 72.32 H new ATOM 0 HG3 GLU A 122 -13.786 3.690 1.641 1.00 72.32 H new ATOM 2037 N LYS A 123 -11.188 5.251 2.629 1.00 3.32 N ATOM 2038 CA LYS A 123 -11.338 5.520 4.068 1.00 32.01 C ATOM 2039 C LYS A 123 -10.799 6.906 4.469 1.00 13.23 C ATOM 2040 O LYS A 123 -11.355 7.569 5.347 1.00 70.03 O ATOM 2041 CB LYS A 123 -10.632 4.420 4.876 1.00 43.33 C ATOM 2042 CG LYS A 123 -11.144 3.011 4.569 1.00 34.45 C ATOM 2043 CD LYS A 123 -12.616 2.839 4.943 1.00 32.41 C ATOM 2044 CE LYS A 123 -13.144 1.459 4.565 1.00 70.42 C ATOM 2045 NZ LYS A 123 -14.540 1.251 5.035 1.00 2.44 N ATOM 0 H LYS A 123 -10.368 4.694 2.388 1.00 3.32 H new ATOM 0 HA LYS A 123 -12.405 5.519 4.292 1.00 32.01 H new ATOM 0 HB2 LYS A 123 -9.562 4.461 4.672 1.00 43.33 H new ATOM 0 HB3 LYS A 123 -10.762 4.621 5.939 1.00 43.33 H new ATOM 0 HG2 LYS A 123 -11.014 2.802 3.507 1.00 34.45 H new ATOM 0 HG3 LYS A 123 -10.545 2.281 5.114 1.00 34.45 H new ATOM 0 HD2 LYS A 123 -12.738 2.993 6.015 1.00 32.41 H new ATOM 0 HD3 LYS A 123 -13.209 3.604 4.442 1.00 32.41 H new ATOM 0 HE2 LYS A 123 -13.104 1.339 3.482 1.00 70.42 H new ATOM 0 HE3 LYS A 123 -12.498 0.693 4.995 1.00 70.42 H new ATOM 0 HZ1 LYS A 123 -14.862 0.301 4.758 1.00 2.44 H new ATOM 0 HZ2 LYS A 123 -14.575 1.340 6.071 1.00 2.44 H new ATOM 0 HZ3 LYS A 123 -15.161 1.966 4.605 1.00 2.44 H new ATOM 2059 N ARG A 124 -9.719 7.342 3.829 1.00 41.53 N ATOM 2060 CA ARG A 124 -9.072 8.615 4.185 1.00 22.11 C ATOM 2061 C ARG A 124 -9.101 9.643 3.041 1.00 52.15 C ATOM 2062 O ARG A 124 -9.313 10.835 3.275 1.00 32.10 O ATOM 2063 CB ARG A 124 -7.619 8.357 4.612 1.00 3.12 C ATOM 2064 CG ARG A 124 -7.472 7.743 6.002 1.00 70.11 C ATOM 2065 CD ARG A 124 -7.948 8.705 7.087 1.00 73.23 C ATOM 2066 NE ARG A 124 -7.774 8.160 8.434 1.00 71.20 N ATOM 2067 CZ ARG A 124 -8.380 8.625 9.495 1.00 21.22 C ATOM 2068 NH1 ARG A 124 -9.207 9.616 9.400 1.00 23.32 N ATOM 2069 NH2 ARG A 124 -8.155 8.099 10.654 1.00 35.34 N ATOM 0 H ARG A 124 -9.269 6.840 3.063 1.00 41.53 H new ATOM 0 HA ARG A 124 -9.641 9.041 5.011 1.00 22.11 H new ATOM 0 HB2 ARG A 124 -7.151 7.695 3.884 1.00 3.12 H new ATOM 0 HB3 ARG A 124 -7.072 9.299 4.584 1.00 3.12 H new ATOM 0 HG2 ARG A 124 -8.046 6.818 6.056 1.00 70.11 H new ATOM 0 HG3 ARG A 124 -6.429 7.481 6.178 1.00 70.11 H new ATOM 0 HD2 ARG A 124 -7.398 9.642 7.004 1.00 73.23 H new ATOM 0 HD3 ARG A 124 -9.001 8.938 6.926 1.00 73.23 H new ATOM 0 HE ARG A 124 -7.141 7.369 8.552 1.00 71.20 H new ATOM 0 HH11 ARG A 124 -9.391 10.041 8.491 1.00 23.32 H new ATOM 0 HH12 ARG A 124 -9.675 9.972 10.234 1.00 23.32 H new ATOM 0 HH21 ARG A 124 -7.503 7.319 10.742 1.00 35.34 H new ATOM 0 HH22 ARG A 124 -8.629 8.464 11.480 1.00 35.34 H new ATOM 2083 N GLY A 125 -8.886 9.186 1.813 1.00 74.41 N ATOM 2084 CA GLY A 125 -8.746 10.103 0.686 1.00 20.02 C ATOM 2085 C GLY A 125 -7.444 10.896 0.745 1.00 51.22 C ATOM 2086 O GLY A 125 -7.411 12.084 0.425 1.00 23.45 O ATOM 0 H GLY A 125 -8.805 8.198 1.573 1.00 74.41 H new ATOM 0 HA2 GLY A 125 -8.784 9.539 -0.246 1.00 20.02 H new ATOM 0 HA3 GLY A 125 -9.589 10.793 0.675 1.00 20.02 H new ATOM 2090 N LEU A 126 -6.368 10.228 1.158 1.00 4.51 N ATOM 2091 CA LEU A 126 -5.065 10.877 1.351 1.00 2.20 C ATOM 2092 C LEU A 126 -4.503 11.447 0.038 1.00 23.05 C ATOM 2093 O LEU A 126 -4.313 12.660 -0.096 1.00 34.42 O ATOM 2094 CB LEU A 126 -4.073 9.872 1.955 1.00 65.24 C ATOM 2095 CG LEU A 126 -4.492 9.274 3.312 1.00 45.03 C ATOM 2096 CD1 LEU A 126 -3.550 8.153 3.739 1.00 11.10 C ATOM 2097 CD2 LEU A 126 -4.554 10.359 4.385 1.00 23.22 C ATOM 0 H LEU A 126 -6.370 9.230 1.368 1.00 4.51 H new ATOM 0 HA LEU A 126 -5.208 11.714 2.034 1.00 2.20 H new ATOM 0 HB2 LEU A 126 -3.928 9.057 1.246 1.00 65.24 H new ATOM 0 HB3 LEU A 126 -3.108 10.365 2.075 1.00 65.24 H new ATOM 0 HG LEU A 126 -5.488 8.848 3.192 1.00 45.03 H new ATOM 0 HD11 LEU A 126 -3.873 7.752 4.700 1.00 11.10 H new ATOM 0 HD12 LEU A 126 -3.566 7.360 2.991 1.00 11.10 H new ATOM 0 HD13 LEU A 126 -2.537 8.544 3.831 1.00 11.10 H new ATOM 0 HD21 LEU A 126 -4.852 9.915 5.335 1.00 23.22 H new ATOM 0 HD22 LEU A 126 -3.573 10.821 4.492 1.00 23.22 H new ATOM 0 HD23 LEU A 126 -5.282 11.117 4.095 1.00 23.22 H new ATOM 2109 N SER A 127 -4.251 10.570 -0.928 1.00 12.21 N ATOM 2110 CA SER A 127 -3.677 10.981 -2.217 1.00 32.11 C ATOM 2111 C SER A 127 -4.725 10.968 -3.343 1.00 40.13 C ATOM 2112 O SER A 127 -5.810 10.401 -3.197 1.00 13.21 O ATOM 2113 CB SER A 127 -2.521 10.048 -2.601 1.00 61.02 C ATOM 2114 OG SER A 127 -1.583 9.894 -1.542 1.00 62.43 O ATOM 0 H SER A 127 -4.433 9.569 -0.849 1.00 12.21 H new ATOM 0 HA SER A 127 -3.314 12.002 -2.097 1.00 32.11 H new ATOM 0 HB2 SER A 127 -2.920 9.072 -2.876 1.00 61.02 H new ATOM 0 HB3 SER A 127 -2.013 10.444 -3.480 1.00 61.02 H new ATOM 0 HG SER A 127 -1.411 8.941 -1.393 1.00 62.43 H new ATOM 2120 N ASN A 128 -4.388 11.600 -4.469 1.00 71.32 N ATOM 2121 CA ASN A 128 -5.229 11.566 -5.673 1.00 74.32 C ATOM 2122 C ASN A 128 -4.555 10.734 -6.779 1.00 12.25 C ATOM 2123 O ASN A 128 -3.325 10.693 -6.870 1.00 41.20 O ATOM 2124 CB ASN A 128 -5.479 12.984 -6.205 1.00 74.12 C ATOM 2125 CG ASN A 128 -6.063 13.919 -5.165 1.00 25.21 C ATOM 2126 OD1 ASN A 128 -7.276 14.022 -5.010 1.00 54.55 O ATOM 2127 ND2 ASN A 128 -5.206 14.611 -4.448 1.00 2.24 N ATOM 0 H ASN A 128 -3.533 12.146 -4.575 1.00 71.32 H new ATOM 0 HA ASN A 128 -6.180 11.110 -5.398 1.00 74.32 H new ATOM 0 HB2 ASN A 128 -4.539 13.399 -6.570 1.00 74.12 H new ATOM 0 HB3 ASN A 128 -6.156 12.931 -7.057 1.00 74.12 H new ATOM 0 HD21 ASN A 128 -5.543 15.259 -3.736 1.00 2.24 H new ATOM 0 HD22 ASN A 128 -4.204 14.500 -4.604 1.00 2.24 H new ATOM 2134 N PRO A 129 -5.347 10.072 -7.646 1.00 33.54 N ATOM 2135 CA PRO A 129 -4.805 9.279 -8.767 1.00 11.15 C ATOM 2136 C PRO A 129 -4.154 10.154 -9.855 1.00 13.40 C ATOM 2137 O PRO A 129 -3.371 9.669 -10.674 1.00 51.11 O ATOM 2138 CB PRO A 129 -6.039 8.548 -9.315 1.00 72.13 C ATOM 2139 CG PRO A 129 -7.195 9.403 -8.917 1.00 33.13 C ATOM 2140 CD PRO A 129 -6.821 10.030 -7.598 1.00 30.35 C ATOM 0 HA PRO A 129 -4.008 8.609 -8.444 1.00 11.15 H new ATOM 0 HB2 PRO A 129 -5.984 8.436 -10.398 1.00 72.13 H new ATOM 0 HB3 PRO A 129 -6.125 7.546 -8.895 1.00 72.13 H new ATOM 0 HG2 PRO A 129 -7.391 10.167 -9.669 1.00 33.13 H new ATOM 0 HG3 PRO A 129 -8.104 8.809 -8.822 1.00 33.13 H new ATOM 0 HD2 PRO A 129 -7.248 11.027 -7.491 1.00 30.35 H new ATOM 0 HD3 PRO A 129 -7.179 9.438 -6.756 1.00 30.35 H new ATOM 2148 N ASN A 130 -4.484 11.444 -9.858 1.00 73.33 N ATOM 2149 CA ASN A 130 -3.894 12.396 -10.806 1.00 54.33 C ATOM 2150 C ASN A 130 -2.483 12.824 -10.369 1.00 34.53 C ATOM 2151 O ASN A 130 -1.513 12.604 -11.096 1.00 14.32 O ATOM 2152 CB ASN A 130 -4.809 13.615 -10.966 1.00 2.54 C ATOM 2153 CG ASN A 130 -6.099 13.267 -11.684 1.00 73.11 C ATOM 2154 OD1 ASN A 130 -6.121 12.406 -12.556 1.00 32.31 O ATOM 2155 ND2 ASN A 130 -7.182 13.920 -11.324 1.00 11.40 N ATOM 0 H ASN A 130 -5.158 11.858 -9.214 1.00 73.33 H new ATOM 0 HA ASN A 130 -3.799 11.899 -11.772 1.00 54.33 H new ATOM 0 HB2 ASN A 130 -5.041 14.026 -9.983 1.00 2.54 H new ATOM 0 HB3 ASN A 130 -4.284 14.392 -11.521 1.00 2.54 H new ATOM 0 HD21 ASN A 130 -8.074 13.715 -11.774 1.00 11.40 H new ATOM 0 HD22 ASN A 130 -7.130 14.631 -10.595 1.00 11.40 H new ATOM 2162 N GLU A 131 -2.366 13.423 -9.179 1.00 4.14 N ATOM 2163 CA GLU A 131 -1.057 13.822 -8.642 1.00 54.34 C ATOM 2164 C GLU A 131 -0.110 12.612 -8.544 1.00 70.43 C ATOM 2165 O GLU A 131 1.106 12.741 -8.710 1.00 62.23 O ATOM 2166 CB GLU A 131 -1.216 14.489 -7.270 1.00 31.22 C ATOM 2167 CG GLU A 131 -1.688 13.553 -6.162 1.00 25.04 C ATOM 2168 CD GLU A 131 -1.844 14.257 -4.825 1.00 24.31 C ATOM 2169 OE1 GLU A 131 -1.264 15.349 -4.645 1.00 11.12 O ATOM 2170 OE2 GLU A 131 -2.561 13.727 -3.957 1.00 71.45 O ATOM 0 H GLU A 131 -3.155 13.642 -8.571 1.00 4.14 H new ATOM 0 HA GLU A 131 -0.617 14.544 -9.330 1.00 54.34 H new ATOM 0 HB2 GLU A 131 -0.260 14.923 -6.978 1.00 31.22 H new ATOM 0 HB3 GLU A 131 -1.926 15.312 -7.360 1.00 31.22 H new ATOM 0 HG2 GLU A 131 -2.642 13.110 -6.448 1.00 25.04 H new ATOM 0 HG3 GLU A 131 -0.976 12.735 -6.056 1.00 25.04 H new ATOM 2177 N LEU A 132 -0.687 11.439 -8.270 1.00 11.55 N ATOM 2178 CA LEU A 132 0.061 10.176 -8.245 1.00 4.20 C ATOM 2179 C LEU A 132 0.877 9.981 -9.532 1.00 10.11 C ATOM 2180 O LEU A 132 2.039 9.575 -9.489 1.00 63.44 O ATOM 2181 CB LEU A 132 -0.916 9.003 -8.056 1.00 12.32 C ATOM 2182 CG LEU A 132 -0.281 7.605 -7.983 1.00 3.30 C ATOM 2183 CD1 LEU A 132 0.691 7.513 -6.813 1.00 33.31 C ATOM 2184 CD2 LEU A 132 -1.360 6.529 -7.878 1.00 60.35 C ATOM 0 H LEU A 132 -1.680 11.336 -8.060 1.00 11.55 H new ATOM 0 HA LEU A 132 0.761 10.209 -7.410 1.00 4.20 H new ATOM 0 HB2 LEU A 132 -1.483 9.172 -7.140 1.00 12.32 H new ATOM 0 HB3 LEU A 132 -1.630 9.014 -8.879 1.00 12.32 H new ATOM 0 HG LEU A 132 0.280 7.437 -8.902 1.00 3.30 H new ATOM 0 HD11 LEU A 132 1.128 6.515 -6.781 1.00 33.31 H new ATOM 0 HD12 LEU A 132 1.482 8.252 -6.938 1.00 33.31 H new ATOM 0 HD13 LEU A 132 0.159 7.706 -5.882 1.00 33.31 H new ATOM 0 HD21 LEU A 132 -0.890 5.547 -7.827 1.00 60.35 H new ATOM 0 HD22 LEU A 132 -1.953 6.695 -6.978 1.00 60.35 H new ATOM 0 HD23 LEU A 132 -2.008 6.577 -8.753 1.00 60.35 H new ATOM 2196 N GLN A 133 0.261 10.294 -10.669 1.00 70.20 N ATOM 2197 CA GLN A 133 0.914 10.154 -11.974 1.00 33.24 C ATOM 2198 C GLN A 133 2.193 11.003 -12.057 1.00 21.23 C ATOM 2199 O GLN A 133 3.238 10.529 -12.517 1.00 64.53 O ATOM 2200 CB GLN A 133 -0.061 10.558 -13.089 1.00 53.12 C ATOM 2201 CG GLN A 133 0.484 10.364 -14.500 1.00 24.03 C ATOM 2202 CD GLN A 133 0.833 8.916 -14.805 1.00 54.33 C ATOM 2203 OE1 GLN A 133 -0.005 8.147 -15.260 1.00 23.53 O ATOM 2204 NE2 GLN A 133 2.074 8.537 -14.571 1.00 4.41 N ATOM 0 H GLN A 133 -0.694 10.648 -10.716 1.00 70.20 H new ATOM 0 HA GLN A 133 1.199 9.110 -12.100 1.00 33.24 H new ATOM 0 HB2 GLN A 133 -0.977 9.977 -12.983 1.00 53.12 H new ATOM 0 HB3 GLN A 133 -0.331 11.606 -12.957 1.00 53.12 H new ATOM 0 HG2 GLN A 133 -0.255 10.714 -15.221 1.00 24.03 H new ATOM 0 HG3 GLN A 133 1.373 10.982 -14.629 1.00 24.03 H new ATOM 0 HE21 GLN A 133 2.748 9.202 -14.192 1.00 4.41 H new ATOM 0 HE22 GLN A 133 2.361 7.578 -14.769 1.00 4.41 H new ATOM 2213 N ALA A 134 2.104 12.255 -11.605 1.00 12.43 N ATOM 2214 CA ALA A 134 3.258 13.162 -11.589 1.00 72.20 C ATOM 2215 C ALA A 134 4.354 12.659 -10.635 1.00 10.52 C ATOM 2216 O ALA A 134 5.540 12.661 -10.977 1.00 43.30 O ATOM 2217 CB ALA A 134 2.813 14.570 -11.202 1.00 54.32 C ATOM 0 H ALA A 134 1.244 12.667 -11.244 1.00 12.43 H new ATOM 0 HA ALA A 134 3.682 13.188 -12.593 1.00 72.20 H new ATOM 0 HB1 ALA A 134 3.677 15.235 -11.193 1.00 54.32 H new ATOM 0 HB2 ALA A 134 2.083 14.933 -11.926 1.00 54.32 H new ATOM 0 HB3 ALA A 134 2.361 14.549 -10.210 1.00 54.32 H new ATOM 2223 N ALA A 135 3.947 12.221 -9.442 1.00 54.15 N ATOM 2224 CA ALA A 135 4.876 11.659 -8.450 1.00 52.12 C ATOM 2225 C ALA A 135 5.725 10.524 -9.048 1.00 13.05 C ATOM 2226 O ALA A 135 6.958 10.535 -8.978 1.00 23.21 O ATOM 2227 CB ALA A 135 4.097 11.140 -7.247 1.00 61.32 C ATOM 0 H ALA A 135 2.975 12.244 -9.135 1.00 54.15 H new ATOM 0 HA ALA A 135 5.552 12.455 -8.137 1.00 52.12 H new ATOM 0 HB1 ALA A 135 4.791 10.725 -6.516 1.00 61.32 H new ATOM 0 HB2 ALA A 135 3.539 11.959 -6.794 1.00 61.32 H new ATOM 0 HB3 ALA A 135 3.403 10.364 -7.570 1.00 61.32 H new ATOM 2233 N ILE A 136 5.043 9.550 -9.643 1.00 72.41 N ATOM 2234 CA ILE A 136 5.698 8.394 -10.262 1.00 51.54 C ATOM 2235 C ILE A 136 6.621 8.815 -11.411 1.00 74.01 C ATOM 2236 O ILE A 136 7.773 8.382 -11.486 1.00 23.42 O ATOM 2237 CB ILE A 136 4.643 7.400 -10.799 1.00 34.51 C ATOM 2238 CG1 ILE A 136 3.689 6.990 -9.669 1.00 25.13 C ATOM 2239 CG2 ILE A 136 5.314 6.167 -11.408 1.00 73.31 C ATOM 2240 CD1 ILE A 136 2.423 6.325 -10.154 1.00 40.14 C ATOM 0 H ILE A 136 4.025 9.536 -9.712 1.00 72.41 H new ATOM 0 HA ILE A 136 6.300 7.914 -9.491 1.00 51.54 H new ATOM 0 HB ILE A 136 4.071 7.893 -11.585 1.00 34.51 H new ATOM 0 HG12 ILE A 136 4.210 6.311 -8.994 1.00 25.13 H new ATOM 0 HG13 ILE A 136 3.425 7.875 -9.090 1.00 25.13 H new ATOM 0 HG21 ILE A 136 4.551 5.483 -11.779 1.00 73.31 H new ATOM 0 HG22 ILE A 136 5.958 6.473 -12.232 1.00 73.31 H new ATOM 0 HG23 ILE A 136 5.912 5.665 -10.647 1.00 73.31 H new ATOM 0 HD11 ILE A 136 1.799 6.064 -9.299 1.00 40.14 H new ATOM 0 HD12 ILE A 136 1.879 7.009 -10.805 1.00 40.14 H new ATOM 0 HD13 ILE A 136 2.676 5.421 -10.708 1.00 40.14 H new ATOM 2252 N ASP A 137 6.112 9.670 -12.299 1.00 70.33 N ATOM 2253 CA ASP A 137 6.884 10.121 -13.459 1.00 51.52 C ATOM 2254 C ASP A 137 8.155 10.862 -13.021 1.00 42.53 C ATOM 2255 O ASP A 137 9.191 10.772 -13.675 1.00 53.11 O ATOM 2256 CB ASP A 137 6.027 11.015 -14.359 1.00 30.54 C ATOM 2257 CG ASP A 137 6.680 11.261 -15.710 1.00 33.14 C ATOM 2258 OD1 ASP A 137 6.990 10.271 -16.409 1.00 45.51 O ATOM 2259 OD2 ASP A 137 6.867 12.433 -16.089 1.00 14.03 O ATOM 0 H ASP A 137 5.173 10.063 -12.238 1.00 70.33 H new ATOM 0 HA ASP A 137 7.184 9.241 -14.027 1.00 51.52 H new ATOM 0 HB2 ASP A 137 5.052 10.551 -14.507 1.00 30.54 H new ATOM 0 HB3 ASP A 137 5.853 11.969 -13.862 1.00 30.54 H new ATOM 2264 N SER A 138 8.072 11.580 -11.905 1.00 73.55 N ATOM 2265 CA SER A 138 9.248 12.245 -11.327 1.00 13.24 C ATOM 2266 C SER A 138 10.325 11.216 -10.947 1.00 3.03 C ATOM 2267 O SER A 138 11.506 11.405 -11.227 1.00 40.22 O ATOM 2268 CB SER A 138 8.860 13.071 -10.093 1.00 40.54 C ATOM 2269 OG SER A 138 7.920 14.084 -10.423 1.00 23.40 O ATOM 0 H SER A 138 7.209 11.719 -11.380 1.00 73.55 H new ATOM 0 HA SER A 138 9.654 12.917 -12.084 1.00 13.24 H new ATOM 0 HB2 SER A 138 8.438 12.415 -9.332 1.00 40.54 H new ATOM 0 HB3 SER A 138 9.752 13.526 -9.663 1.00 40.54 H new ATOM 0 HG SER A 138 7.060 13.671 -10.649 1.00 23.40 H new ATOM 2275 N ASN A 139 9.904 10.110 -10.328 1.00 35.30 N ATOM 2276 CA ASN A 139 10.826 9.018 -9.978 1.00 23.54 C ATOM 2277 C ASN A 139 11.434 8.364 -11.236 1.00 65.35 C ATOM 2278 O ASN A 139 12.573 7.893 -11.215 1.00 63.42 O ATOM 2279 CB ASN A 139 10.103 7.948 -9.142 1.00 33.21 C ATOM 2280 CG ASN A 139 9.840 8.366 -7.702 1.00 53.03 C ATOM 2281 OD1 ASN A 139 9.798 7.530 -6.803 1.00 64.34 O ATOM 2282 ND2 ASN A 139 9.658 9.651 -7.458 1.00 53.43 N ATOM 0 H ASN A 139 8.934 9.944 -10.058 1.00 35.30 H new ATOM 0 HA ASN A 139 11.635 9.453 -9.391 1.00 23.54 H new ATOM 0 HB2 ASN A 139 9.153 7.708 -9.620 1.00 33.21 H new ATOM 0 HB3 ASN A 139 10.700 7.036 -9.142 1.00 33.21 H new ATOM 0 HD21 ASN A 139 9.478 9.969 -6.506 1.00 53.43 H new ATOM 0 HD22 ASN A 139 9.698 10.326 -8.222 1.00 53.43 H new ATOM 2289 N ARG A 140 10.665 8.336 -12.324 1.00 64.44 N ATOM 2290 CA ARG A 140 11.110 7.710 -13.578 1.00 71.34 C ATOM 2291 C ARG A 140 12.078 8.615 -14.357 1.00 63.32 C ATOM 2292 O ARG A 140 13.173 8.193 -14.742 1.00 72.43 O ATOM 2293 CB ARG A 140 9.901 7.373 -14.469 1.00 51.13 C ATOM 2294 CG ARG A 140 8.868 6.471 -13.799 1.00 54.31 C ATOM 2295 CD ARG A 140 7.766 6.042 -14.767 1.00 14.10 C ATOM 2296 NE ARG A 140 7.036 7.172 -15.347 1.00 24.02 N ATOM 2297 CZ ARG A 140 5.840 7.078 -15.869 1.00 44.14 C ATOM 2298 NH1 ARG A 140 5.213 5.946 -15.886 1.00 33.42 N ATOM 2299 NH2 ARG A 140 5.278 8.122 -16.381 1.00 42.32 N ATOM 0 H ARG A 140 9.729 8.739 -12.367 1.00 64.44 H new ATOM 0 HA ARG A 140 11.637 6.795 -13.310 1.00 71.34 H new ATOM 0 HB2 ARG A 140 9.416 8.301 -14.772 1.00 51.13 H new ATOM 0 HB3 ARG A 140 10.257 6.888 -15.378 1.00 51.13 H new ATOM 0 HG2 ARG A 140 9.364 5.586 -13.400 1.00 54.31 H new ATOM 0 HG3 ARG A 140 8.423 6.996 -12.953 1.00 54.31 H new ATOM 0 HD2 ARG A 140 8.206 5.451 -15.570 1.00 14.10 H new ATOM 0 HD3 ARG A 140 7.063 5.394 -14.243 1.00 14.10 H new ATOM 0 HE ARG A 140 7.487 8.087 -15.344 1.00 24.02 H new ATOM 0 HH11 ARG A 140 5.651 5.114 -15.490 1.00 33.42 H new ATOM 0 HH12 ARG A 140 4.281 5.885 -16.296 1.00 33.42 H new ATOM 0 HH21 ARG A 140 5.767 9.017 -16.378 1.00 42.32 H new ATOM 0 HH22 ARG A 140 4.346 8.051 -16.789 1.00 42.32 H new ATOM 2313 N ARG A 141 11.663 9.861 -14.576 1.00 72.03 N ATOM 2314 CA ARG A 141 12.417 10.815 -15.396 1.00 2.13 C ATOM 2315 C ARG A 141 13.770 11.178 -14.765 1.00 14.45 C ATOM 2316 O ARG A 141 14.738 11.464 -15.471 1.00 23.11 O ATOM 2317 CB ARG A 141 11.576 12.081 -15.621 1.00 54.21 C ATOM 2318 CG ARG A 141 12.156 13.038 -16.658 1.00 11.45 C ATOM 2319 CD ARG A 141 11.267 14.258 -16.859 1.00 2.54 C ATOM 2320 NE ARG A 141 11.779 15.148 -17.895 1.00 53.54 N ATOM 2321 CZ ARG A 141 11.325 16.349 -18.120 1.00 14.14 C ATOM 2322 NH1 ARG A 141 10.406 16.863 -17.363 1.00 44.53 N ATOM 2323 NH2 ARG A 141 11.811 17.043 -19.093 1.00 3.54 N ATOM 0 H ARG A 141 10.797 10.240 -14.192 1.00 72.03 H new ATOM 0 HA ARG A 141 12.627 10.338 -16.353 1.00 2.13 H new ATOM 0 HB2 ARG A 141 10.574 11.788 -15.933 1.00 54.21 H new ATOM 0 HB3 ARG A 141 11.473 12.609 -14.673 1.00 54.21 H new ATOM 0 HG2 ARG A 141 13.148 13.359 -16.342 1.00 11.45 H new ATOM 0 HG3 ARG A 141 12.277 12.516 -17.607 1.00 11.45 H new ATOM 0 HD2 ARG A 141 10.262 13.933 -17.126 1.00 2.54 H new ATOM 0 HD3 ARG A 141 11.186 14.805 -15.920 1.00 2.54 H new ATOM 0 HE ARG A 141 12.542 14.809 -18.481 1.00 53.54 H new ATOM 0 HH11 ARG A 141 10.030 16.326 -16.581 1.00 44.53 H new ATOM 0 HH12 ARG A 141 10.059 17.804 -17.549 1.00 44.53 H new ATOM 0 HH21 ARG A 141 12.546 16.651 -19.681 1.00 3.54 H new ATOM 0 HH22 ARG A 141 11.460 17.983 -19.274 1.00 3.54 H new