USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=30 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 119 TYR OH : rot 6:sc= 0.754 USER MOD Set 1.2: A 123 LYS NZ :NH3+ -107:sc= 1.49 (180deg=0.651) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.517 K(o=0.52,f=-0.012) USER MOD Single : A 27 TYR OH : rot -83:sc= 0.336 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0.689 (180deg=0.638) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 84:sc= 0.814 USER MOD Single : A 46 MET CE :methyl 137:sc= -3.88! (180deg=-5.14!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc=-0.00125 (180deg=-0.0563) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.054) USER MOD Single : A 59 MET CE :methyl -110:sc= -0.0415 (180deg=-0.297) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.0574 (180deg=-0.24) USER MOD Single : A 62 GLN : amide:sc= -2.32! K(o=-2.3!,f=-1.1) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.0449 (180deg=-0.336) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 74 THR OG1 : rot -76:sc= 1.06 USER MOD Single : A 76 LYS NZ :NH3+ 139:sc= 0.156 (180deg=-0.601!) USER MOD Single : A 84 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.7) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0479 (180deg=-0.297) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= -0.055 (180deg=-0.253) USER MOD Single : A 96 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.64) USER MOD Single : A 99 THR OG1 : rot -36:sc= 0.876 USER MOD Single : A 100 SER OG : rot -26:sc= 1.13 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 4:sc= 1.02 USER MOD Single : A 107 THR OG1 : rot 73:sc= 0.919 USER MOD Single : A 110 THR OG1 : rot 71:sc=0.000514 USER MOD Single : A 111 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 112 TYR OH : rot -11:sc= 0.973 USER MOD Single : A 113 MET CE :methyl -160:sc= -0.112 (180deg=-0.774) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -98:sc= 0.696 USER MOD Single : A 128 ASN : amide:sc= 0.831 K(o=0.83,f=-0.05) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 133 GLN : amide:sc= 0.375 X(o=0.38,f=-0.07) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 ASN : amide:sc= -1.73! C(o=-1.7!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -5.669 -17.721 2.037 1.00 53.14 N ATOM 351 CA PHE A 23 -4.322 -17.886 2.610 1.00 72.11 C ATOM 352 C PHE A 23 -4.257 -17.369 4.057 1.00 10.13 C ATOM 353 O PHE A 23 -4.066 -16.177 4.307 1.00 30.55 O ATOM 354 CB PHE A 23 -3.295 -17.166 1.723 1.00 65.44 C ATOM 355 CG PHE A 23 -1.853 -17.483 2.042 1.00 3.35 C ATOM 356 CD1 PHE A 23 -1.368 -18.779 1.916 1.00 1.52 C ATOM 357 CD2 PHE A 23 -0.979 -16.485 2.451 1.00 0.51 C ATOM 358 CE1 PHE A 23 -0.044 -19.069 2.190 1.00 15.03 C ATOM 359 CE2 PHE A 23 0.344 -16.772 2.727 1.00 21.21 C ATOM 360 CZ PHE A 23 0.812 -18.065 2.597 1.00 63.10 C ATOM 0 HA PHE A 23 -4.086 -18.950 2.640 1.00 72.11 H new ATOM 0 HB2 PHE A 23 -3.488 -17.426 0.682 1.00 65.44 H new ATOM 0 HB3 PHE A 23 -3.446 -16.090 1.816 1.00 65.44 H new ATOM 0 HD1 PHE A 23 -2.033 -19.569 1.600 1.00 1.52 H new ATOM 0 HD2 PHE A 23 -1.338 -15.472 2.555 1.00 0.51 H new ATOM 0 HE1 PHE A 23 0.320 -20.080 2.086 1.00 15.03 H new ATOM 0 HE2 PHE A 23 1.012 -15.985 3.044 1.00 21.21 H new ATOM 0 HZ PHE A 23 1.846 -18.290 2.813 1.00 63.10 H new ATOM 370 N LYS A 24 -4.415 -18.293 5.001 1.00 54.13 N ATOM 371 CA LYS A 24 -4.617 -17.951 6.410 1.00 51.33 C ATOM 372 C LYS A 24 -3.432 -17.181 7.017 1.00 43.23 C ATOM 373 O LYS A 24 -3.619 -16.386 7.934 1.00 61.23 O ATOM 374 CB LYS A 24 -4.893 -19.226 7.225 1.00 50.43 C ATOM 375 CG LYS A 24 -5.661 -18.985 8.529 1.00 15.41 C ATOM 376 CD LYS A 24 -7.171 -19.198 8.375 1.00 11.12 C ATOM 377 CE LYS A 24 -7.799 -18.288 7.320 1.00 64.30 C ATOM 378 NZ LYS A 24 -9.257 -18.536 7.175 1.00 63.21 N ATOM 0 H LYS A 24 -4.407 -19.296 4.814 1.00 54.13 H new ATOM 0 HA LYS A 24 -5.480 -17.286 6.455 1.00 51.33 H new ATOM 0 HB2 LYS A 24 -5.459 -19.923 6.607 1.00 50.43 H new ATOM 0 HB3 LYS A 24 -3.943 -19.706 7.460 1.00 50.43 H new ATOM 0 HG2 LYS A 24 -5.280 -19.656 9.299 1.00 15.41 H new ATOM 0 HG3 LYS A 24 -5.475 -17.967 8.872 1.00 15.41 H new ATOM 0 HD2 LYS A 24 -7.360 -20.238 8.109 1.00 11.12 H new ATOM 0 HD3 LYS A 24 -7.657 -19.021 9.335 1.00 11.12 H new ATOM 0 HE2 LYS A 24 -7.633 -17.246 7.593 1.00 64.30 H new ATOM 0 HE3 LYS A 24 -7.306 -18.449 6.361 1.00 64.30 H new ATOM 0 HZ1 LYS A 24 -9.647 -17.900 6.451 1.00 63.21 H new ATOM 0 HZ2 LYS A 24 -9.414 -19.524 6.890 1.00 63.21 H new ATOM 0 HZ3 LYS A 24 -9.731 -18.358 8.083 1.00 63.21 H new ATOM 392 N GLN A 25 -2.223 -17.402 6.494 1.00 11.00 N ATOM 393 CA GLN A 25 -1.012 -16.756 7.029 1.00 71.33 C ATOM 394 C GLN A 25 -1.179 -15.232 7.173 1.00 64.32 C ATOM 395 O GLN A 25 -0.745 -14.653 8.169 1.00 64.45 O ATOM 396 CB GLN A 25 0.197 -17.070 6.138 1.00 73.13 C ATOM 397 CG GLN A 25 1.513 -16.451 6.614 1.00 11.05 C ATOM 398 CD GLN A 25 1.923 -16.906 8.008 1.00 61.00 C ATOM 399 OE1 GLN A 25 2.607 -17.914 8.171 1.00 54.20 O ATOM 400 NE2 GLN A 25 1.517 -16.165 9.020 1.00 13.21 N ATOM 0 H GLN A 25 -2.052 -18.022 5.702 1.00 11.00 H new ATOM 0 HA GLN A 25 -0.845 -17.162 8.026 1.00 71.33 H new ATOM 0 HB2 GLN A 25 0.319 -18.152 6.080 1.00 73.13 H new ATOM 0 HB3 GLN A 25 -0.011 -16.718 5.128 1.00 73.13 H new ATOM 0 HG2 GLN A 25 2.303 -16.708 5.909 1.00 11.05 H new ATOM 0 HG3 GLN A 25 1.419 -15.365 6.607 1.00 11.05 H new ATOM 0 HE21 GLN A 25 0.950 -15.334 8.849 1.00 13.21 H new ATOM 0 HE22 GLN A 25 1.770 -16.422 9.974 1.00 13.21 H new ATOM 409 N LEU A 26 -1.815 -14.590 6.190 1.00 53.03 N ATOM 410 CA LEU A 26 -2.058 -13.138 6.247 1.00 15.30 C ATOM 411 C LEU A 26 -2.926 -12.760 7.460 1.00 13.33 C ATOM 412 O LEU A 26 -2.786 -11.677 8.031 1.00 71.11 O ATOM 413 CB LEU A 26 -2.728 -12.648 4.953 1.00 22.13 C ATOM 414 CG LEU A 26 -1.841 -12.675 3.697 1.00 64.05 C ATOM 415 CD1 LEU A 26 -2.621 -12.194 2.474 1.00 72.10 C ATOM 416 CD2 LEU A 26 -0.590 -11.823 3.910 1.00 12.24 C ATOM 0 H LEU A 26 -2.171 -15.045 5.349 1.00 53.03 H new ATOM 0 HA LEU A 26 -1.089 -12.649 6.354 1.00 15.30 H new ATOM 0 HB2 LEU A 26 -3.610 -13.261 4.767 1.00 22.13 H new ATOM 0 HB3 LEU A 26 -3.076 -11.627 5.109 1.00 22.13 H new ATOM 0 HG LEU A 26 -1.530 -13.704 3.517 1.00 64.05 H new ATOM 0 HD11 LEU A 26 -1.975 -12.221 1.597 1.00 72.10 H new ATOM 0 HD12 LEU A 26 -3.481 -12.844 2.312 1.00 72.10 H new ATOM 0 HD13 LEU A 26 -2.965 -11.173 2.640 1.00 72.10 H new ATOM 0 HD21 LEU A 26 0.027 -11.852 3.012 1.00 12.24 H new ATOM 0 HD22 LEU A 26 -0.882 -10.793 4.116 1.00 12.24 H new ATOM 0 HD23 LEU A 26 -0.022 -12.215 4.754 1.00 12.24 H new ATOM 428 N TYR A 27 -3.818 -13.664 7.843 1.00 44.51 N ATOM 429 CA TYR A 27 -4.691 -13.464 9.003 1.00 73.34 C ATOM 430 C TYR A 27 -3.944 -13.810 10.306 1.00 54.31 C ATOM 431 O TYR A 27 -4.099 -13.139 11.330 1.00 40.21 O ATOM 432 CB TYR A 27 -5.947 -14.346 8.871 1.00 1.21 C ATOM 433 CG TYR A 27 -6.672 -14.213 7.537 1.00 34.24 C ATOM 434 CD1 TYR A 27 -6.162 -14.797 6.380 1.00 54.23 C ATOM 435 CD2 TYR A 27 -7.868 -13.513 7.434 1.00 25.54 C ATOM 436 CE1 TYR A 27 -6.819 -14.689 5.171 1.00 54.23 C ATOM 437 CE2 TYR A 27 -8.534 -13.402 6.227 1.00 52.43 C ATOM 438 CZ TYR A 27 -8.004 -13.991 5.098 1.00 11.32 C ATOM 439 OH TYR A 27 -8.664 -13.887 3.894 1.00 22.22 O ATOM 0 H TYR A 27 -3.960 -14.554 7.364 1.00 44.51 H new ATOM 0 HA TYR A 27 -4.988 -12.416 9.039 1.00 73.34 H new ATOM 0 HB2 TYR A 27 -5.661 -15.388 9.013 1.00 1.21 H new ATOM 0 HB3 TYR A 27 -6.640 -14.093 9.674 1.00 1.21 H new ATOM 0 HD1 TYR A 27 -5.233 -15.346 6.430 1.00 54.23 H new ATOM 0 HD2 TYR A 27 -8.286 -13.046 8.314 1.00 25.54 H new ATOM 0 HE1 TYR A 27 -6.406 -15.150 4.286 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -9.464 -12.857 6.169 1.00 52.43 H new ATOM 0 HH TYR A 27 -8.277 -13.154 3.371 1.00 22.22 H new ATOM 449 N GLU A 28 -3.112 -14.850 10.237 1.00 42.01 N ATOM 450 CA GLU A 28 -2.374 -15.368 11.400 1.00 50.21 C ATOM 451 C GLU A 28 -1.132 -14.522 11.733 1.00 4.04 C ATOM 452 O GLU A 28 -0.462 -14.774 12.735 1.00 11.53 O ATOM 453 CB GLU A 28 -1.938 -16.818 11.131 1.00 74.31 C ATOM 454 CG GLU A 28 -3.090 -17.754 10.774 1.00 11.05 C ATOM 455 CD GLU A 28 -2.621 -19.141 10.354 1.00 14.45 C ATOM 456 OE1 GLU A 28 -1.926 -19.253 9.324 1.00 31.25 O ATOM 457 OE2 GLU A 28 -2.962 -20.128 11.041 1.00 22.43 O ATOM 0 H GLU A 28 -2.927 -15.361 9.374 1.00 42.01 H new ATOM 0 HA GLU A 28 -3.047 -15.321 12.256 1.00 50.21 H new ATOM 0 HB2 GLU A 28 -1.212 -16.824 10.318 1.00 74.31 H new ATOM 0 HB3 GLU A 28 -1.430 -17.204 12.014 1.00 74.31 H new ATOM 0 HG2 GLU A 28 -3.756 -17.846 11.632 1.00 11.05 H new ATOM 0 HG3 GLU A 28 -3.672 -17.313 9.965 1.00 11.05 H new ATOM 464 N LEU A 29 -0.826 -13.527 10.897 1.00 34.03 N ATOM 465 CA LEU A 29 0.381 -12.694 11.070 1.00 65.24 C ATOM 466 C LEU A 29 0.559 -12.191 12.513 1.00 14.33 C ATOM 467 O LEU A 29 1.626 -12.350 13.107 1.00 63.14 O ATOM 468 CB LEU A 29 0.343 -11.488 10.120 1.00 13.14 C ATOM 469 CG LEU A 29 0.429 -11.817 8.621 1.00 51.44 C ATOM 470 CD1 LEU A 29 0.292 -10.548 7.781 1.00 30.34 C ATOM 471 CD2 LEU A 29 1.735 -12.548 8.298 1.00 13.42 C ATOM 0 H LEU A 29 -1.395 -13.273 10.089 1.00 34.03 H new ATOM 0 HA LEU A 29 1.230 -13.335 10.834 1.00 65.24 H new ATOM 0 HB2 LEU A 29 -0.580 -10.936 10.300 1.00 13.14 H new ATOM 0 HB3 LEU A 29 1.167 -10.822 10.375 1.00 13.14 H new ATOM 0 HG LEU A 29 -0.399 -12.480 8.370 1.00 51.44 H new ATOM 0 HD11 LEU A 29 0.356 -10.803 6.723 1.00 30.34 H new ATOM 0 HD12 LEU A 29 -0.671 -10.080 7.984 1.00 30.34 H new ATOM 0 HD13 LEU A 29 1.094 -9.855 8.036 1.00 30.34 H new ATOM 0 HD21 LEU A 29 1.773 -12.770 7.232 1.00 13.42 H new ATOM 0 HD22 LEU A 29 2.582 -11.917 8.568 1.00 13.42 H new ATOM 0 HD23 LEU A 29 1.781 -13.478 8.864 1.00 13.42 H new ATOM 483 N ASP A 30 -0.481 -11.572 13.065 1.00 22.30 N ATOM 484 CA ASP A 30 -0.403 -10.995 14.414 1.00 42.34 C ATOM 485 C ASP A 30 -1.408 -11.652 15.385 1.00 32.14 C ATOM 486 O ASP A 30 -1.482 -11.281 16.558 1.00 1.20 O ATOM 487 CB ASP A 30 -0.640 -9.481 14.321 1.00 31.10 C ATOM 488 CG ASP A 30 -0.160 -8.728 15.551 1.00 23.42 C ATOM 489 OD1 ASP A 30 1.061 -8.731 15.813 1.00 23.54 O ATOM 490 OD2 ASP A 30 -0.995 -8.118 16.250 1.00 4.10 O ATOM 0 H ASP A 30 -1.385 -11.455 12.607 1.00 22.30 H new ATOM 0 HA ASP A 30 0.590 -11.189 14.819 1.00 42.34 H new ATOM 0 HB2 ASP A 30 -0.128 -9.092 13.441 1.00 31.10 H new ATOM 0 HB3 ASP A 30 -1.704 -9.293 14.179 1.00 31.10 H new ATOM 495 N GLY A 31 -2.171 -12.635 14.895 1.00 34.05 N ATOM 496 CA GLY A 31 -3.201 -13.276 15.718 1.00 61.10 C ATOM 497 C GLY A 31 -4.221 -12.279 16.273 1.00 24.11 C ATOM 498 O GLY A 31 -4.653 -12.383 17.424 1.00 64.04 O ATOM 0 H GLY A 31 -2.097 -13.000 13.945 1.00 34.05 H new ATOM 0 HA2 GLY A 31 -3.720 -14.027 15.123 1.00 61.10 H new ATOM 0 HA3 GLY A 31 -2.724 -13.800 16.546 1.00 61.10 H new ATOM 502 N ASP A 32 -4.610 -11.319 15.440 1.00 62.11 N ATOM 503 CA ASP A 32 -5.460 -10.201 15.863 1.00 13.30 C ATOM 504 C ASP A 32 -6.871 -10.287 15.239 1.00 14.33 C ATOM 505 O ASP A 32 -7.009 -10.491 14.031 1.00 52.21 O ATOM 506 CB ASP A 32 -4.765 -8.888 15.470 1.00 31.43 C ATOM 507 CG ASP A 32 -5.632 -7.660 15.685 1.00 1.45 C ATOM 508 OD1 ASP A 32 -5.968 -7.358 16.848 1.00 30.45 O ATOM 509 OD2 ASP A 32 -5.983 -6.998 14.685 1.00 73.31 O ATOM 0 H ASP A 32 -4.348 -11.290 14.455 1.00 62.11 H new ATOM 0 HA ASP A 32 -5.595 -10.243 16.944 1.00 13.30 H new ATOM 0 HB2 ASP A 32 -3.848 -8.783 16.050 1.00 31.43 H new ATOM 0 HB3 ASP A 32 -4.474 -8.939 14.421 1.00 31.43 H new ATOM 514 N PRO A 33 -7.940 -10.127 16.057 1.00 71.00 N ATOM 515 CA PRO A 33 -9.335 -10.185 15.575 1.00 60.34 C ATOM 516 C PRO A 33 -9.639 -9.152 14.476 1.00 35.10 C ATOM 517 O PRO A 33 -10.368 -9.435 13.523 1.00 63.53 O ATOM 518 CB PRO A 33 -10.172 -9.900 16.840 1.00 54.44 C ATOM 519 CG PRO A 33 -9.217 -9.277 17.808 1.00 43.42 C ATOM 520 CD PRO A 33 -7.878 -9.890 17.510 1.00 61.21 C ATOM 0 HA PRO A 33 -9.555 -11.147 15.111 1.00 60.34 H new ATOM 0 HB2 PRO A 33 -11.003 -9.230 16.620 1.00 54.44 H new ATOM 0 HB3 PRO A 33 -10.600 -10.817 17.244 1.00 54.44 H new ATOM 0 HG2 PRO A 33 -9.188 -8.194 17.687 1.00 43.42 H new ATOM 0 HG3 PRO A 33 -9.518 -9.475 18.837 1.00 43.42 H new ATOM 0 HD2 PRO A 33 -7.059 -9.221 17.776 1.00 61.21 H new ATOM 0 HD3 PRO A 33 -7.725 -10.816 18.064 1.00 61.21 H new ATOM 528 N LYS A 34 -9.061 -7.957 14.601 1.00 61.51 N ATOM 529 CA LYS A 34 -9.272 -6.891 13.616 1.00 71.52 C ATOM 530 C LYS A 34 -8.469 -7.139 12.335 1.00 71.21 C ATOM 531 O LYS A 34 -8.752 -6.552 11.294 1.00 34.31 O ATOM 532 CB LYS A 34 -8.907 -5.527 14.219 1.00 31.10 C ATOM 533 CG LYS A 34 -9.841 -5.099 15.342 1.00 5.52 C ATOM 534 CD LYS A 34 -11.274 -4.964 14.841 1.00 12.53 C ATOM 535 CE LYS A 34 -12.260 -4.729 15.973 1.00 63.54 C ATOM 536 NZ LYS A 34 -13.666 -4.759 15.486 1.00 13.52 N ATOM 0 H LYS A 34 -8.444 -7.701 15.372 1.00 61.51 H new ATOM 0 HA LYS A 34 -10.329 -6.891 13.350 1.00 71.52 H new ATOM 0 HB2 LYS A 34 -7.886 -5.566 14.599 1.00 31.10 H new ATOM 0 HB3 LYS A 34 -8.925 -4.773 13.432 1.00 31.10 H new ATOM 0 HG2 LYS A 34 -9.802 -5.829 16.150 1.00 5.52 H new ATOM 0 HG3 LYS A 34 -9.506 -4.148 15.756 1.00 5.52 H new ATOM 0 HD2 LYS A 34 -11.333 -4.137 14.133 1.00 12.53 H new ATOM 0 HD3 LYS A 34 -11.554 -5.868 14.300 1.00 12.53 H new ATOM 0 HE2 LYS A 34 -12.123 -5.491 16.740 1.00 63.54 H new ATOM 0 HE3 LYS A 34 -12.056 -3.766 16.441 1.00 63.54 H new ATOM 0 HZ1 LYS A 34 -14.315 -4.731 16.298 1.00 13.52 H new ATOM 0 HZ2 LYS A 34 -13.840 -3.935 14.876 1.00 13.52 H new ATOM 0 HZ3 LYS A 34 -13.827 -5.632 14.944 1.00 13.52 H new ATOM 550 N ARG A 35 -7.471 -8.019 12.415 1.00 42.24 N ATOM 551 CA ARG A 35 -6.652 -8.361 11.249 1.00 12.24 C ATOM 552 C ARG A 35 -7.512 -8.995 10.145 1.00 23.41 C ATOM 553 O ARG A 35 -7.475 -8.564 8.992 1.00 14.31 O ATOM 554 CB ARG A 35 -5.512 -9.322 11.639 1.00 41.32 C ATOM 555 CG ARG A 35 -4.211 -9.077 10.868 1.00 31.04 C ATOM 556 CD ARG A 35 -3.134 -8.446 11.753 1.00 74.44 C ATOM 557 NE ARG A 35 -3.667 -7.396 12.627 1.00 25.02 N ATOM 558 CZ ARG A 35 -2.933 -6.521 13.262 1.00 32.11 C ATOM 559 NH1 ARG A 35 -1.650 -6.483 13.099 1.00 21.43 N ATOM 560 NH2 ARG A 35 -3.486 -5.673 14.062 1.00 15.10 N ATOM 0 H ARG A 35 -7.210 -8.507 13.271 1.00 42.24 H new ATOM 0 HA ARG A 35 -6.216 -7.437 10.869 1.00 12.24 H new ATOM 0 HB2 ARG A 35 -5.315 -9.224 12.707 1.00 41.32 H new ATOM 0 HB3 ARG A 35 -5.838 -10.348 11.467 1.00 41.32 H new ATOM 0 HG2 ARG A 35 -3.844 -10.021 10.466 1.00 31.04 H new ATOM 0 HG3 ARG A 35 -4.410 -8.425 10.018 1.00 31.04 H new ATOM 0 HD2 ARG A 35 -2.670 -9.221 12.363 1.00 74.44 H new ATOM 0 HD3 ARG A 35 -2.351 -8.026 11.122 1.00 74.44 H new ATOM 0 HE ARG A 35 -4.679 -7.345 12.747 1.00 25.02 H new ATOM 0 HH11 ARG A 35 -1.196 -7.143 12.467 1.00 21.43 H new ATOM 0 HH12 ARG A 35 -1.092 -5.793 13.603 1.00 21.43 H new ATOM 0 HH21 ARG A 35 -4.497 -5.685 14.199 1.00 15.10 H new ATOM 0 HH22 ARG A 35 -2.912 -4.990 14.557 1.00 15.10 H new ATOM 574 N LYS A 36 -8.295 -10.013 10.506 1.00 14.24 N ATOM 575 CA LYS A 36 -9.145 -10.703 9.529 1.00 5.53 C ATOM 576 C LYS A 36 -10.347 -9.840 9.113 1.00 32.03 C ATOM 577 O LYS A 36 -10.793 -9.916 7.970 1.00 73.03 O ATOM 578 CB LYS A 36 -9.611 -12.090 10.028 1.00 14.34 C ATOM 579 CG LYS A 36 -10.362 -12.113 11.363 1.00 42.31 C ATOM 580 CD LYS A 36 -9.429 -12.235 12.574 1.00 21.14 C ATOM 581 CE LYS A 36 -8.480 -13.427 12.470 1.00 3.45 C ATOM 582 NZ LYS A 36 -9.201 -14.727 12.391 1.00 13.22 N ATOM 0 H LYS A 36 -8.360 -10.376 11.457 1.00 14.24 H new ATOM 0 HA LYS A 36 -8.526 -10.868 8.647 1.00 5.53 H new ATOM 0 HB2 LYS A 36 -10.254 -12.530 9.266 1.00 14.34 H new ATOM 0 HB3 LYS A 36 -8.736 -12.734 10.116 1.00 14.34 H new ATOM 0 HG2 LYS A 36 -10.953 -11.202 11.457 1.00 42.31 H new ATOM 0 HG3 LYS A 36 -11.062 -12.948 11.365 1.00 42.31 H new ATOM 0 HD2 LYS A 36 -8.846 -11.319 12.672 1.00 21.14 H new ATOM 0 HD3 LYS A 36 -10.027 -12.330 13.480 1.00 21.14 H new ATOM 0 HE2 LYS A 36 -7.851 -13.310 11.587 1.00 3.45 H new ATOM 0 HE3 LYS A 36 -7.817 -13.435 13.335 1.00 3.45 H new ATOM 0 HZ1 LYS A 36 -8.512 -15.503 12.322 1.00 13.22 H new ATOM 0 HZ2 LYS A 36 -9.781 -14.855 13.245 1.00 13.22 H new ATOM 0 HZ3 LYS A 36 -9.814 -14.733 11.551 1.00 13.22 H new ATOM 596 N GLU A 37 -10.861 -9.015 10.031 1.00 10.22 N ATOM 597 CA GLU A 37 -11.932 -8.064 9.685 1.00 21.31 C ATOM 598 C GLU A 37 -11.437 -7.042 8.643 1.00 24.31 C ATOM 599 O GLU A 37 -12.129 -6.738 7.668 1.00 23.33 O ATOM 600 CB GLU A 37 -12.449 -7.332 10.938 1.00 72.13 C ATOM 601 CG GLU A 37 -13.116 -8.249 11.963 1.00 74.44 C ATOM 602 CD GLU A 37 -13.823 -7.482 13.074 1.00 63.32 C ATOM 603 OE1 GLU A 37 -14.968 -7.032 12.858 1.00 43.44 O ATOM 604 OE2 GLU A 37 -13.243 -7.316 14.165 1.00 2.00 O ATOM 0 H GLU A 37 -10.561 -8.983 11.005 1.00 10.22 H new ATOM 0 HA GLU A 37 -12.756 -8.634 9.255 1.00 21.31 H new ATOM 0 HB2 GLU A 37 -11.615 -6.817 11.415 1.00 72.13 H new ATOM 0 HB3 GLU A 37 -13.163 -6.567 10.631 1.00 72.13 H new ATOM 0 HG2 GLU A 37 -13.837 -8.890 11.455 1.00 74.44 H new ATOM 0 HG3 GLU A 37 -12.363 -8.903 12.402 1.00 74.44 H new ATOM 611 N PHE A 38 -10.226 -6.526 8.857 1.00 23.43 N ATOM 612 CA PHE A 38 -9.589 -5.601 7.913 1.00 41.52 C ATOM 613 C PHE A 38 -9.379 -6.266 6.544 1.00 2.11 C ATOM 614 O PHE A 38 -9.769 -5.723 5.509 1.00 31.50 O ATOM 615 CB PHE A 38 -8.240 -5.126 8.476 1.00 24.11 C ATOM 616 CG PHE A 38 -7.497 -4.155 7.584 1.00 71.42 C ATOM 617 CD1 PHE A 38 -6.642 -4.612 6.587 1.00 33.43 C ATOM 618 CD2 PHE A 38 -7.651 -2.785 7.747 1.00 51.33 C ATOM 619 CE1 PHE A 38 -5.963 -3.725 5.774 1.00 15.15 C ATOM 620 CE2 PHE A 38 -6.972 -1.895 6.936 1.00 62.24 C ATOM 621 CZ PHE A 38 -6.127 -2.366 5.949 1.00 40.05 C ATOM 0 H PHE A 38 -9.662 -6.734 9.681 1.00 23.43 H new ATOM 0 HA PHE A 38 -10.248 -4.744 7.778 1.00 41.52 H new ATOM 0 HB2 PHE A 38 -8.410 -4.654 9.444 1.00 24.11 H new ATOM 0 HB3 PHE A 38 -7.607 -5.996 8.652 1.00 24.11 H new ATOM 0 HD1 PHE A 38 -6.507 -5.674 6.446 1.00 33.43 H new ATOM 0 HD2 PHE A 38 -8.309 -2.410 8.517 1.00 51.33 H new ATOM 0 HE1 PHE A 38 -5.304 -4.095 5.002 1.00 15.15 H new ATOM 0 HE2 PHE A 38 -7.102 -0.832 7.074 1.00 62.24 H new ATOM 0 HZ PHE A 38 -5.596 -1.671 5.315 1.00 40.05 H new ATOM 631 N LEU A 39 -8.754 -7.445 6.550 1.00 14.22 N ATOM 632 CA LEU A 39 -8.485 -8.191 5.315 1.00 60.12 C ATOM 633 C LEU A 39 -9.778 -8.526 4.558 1.00 25.44 C ATOM 634 O LEU A 39 -9.817 -8.459 3.333 1.00 14.34 O ATOM 635 CB LEU A 39 -7.705 -9.477 5.620 1.00 72.30 C ATOM 636 CG LEU A 39 -6.287 -9.268 6.179 1.00 64.21 C ATOM 637 CD1 LEU A 39 -5.627 -10.608 6.483 1.00 33.02 C ATOM 638 CD2 LEU A 39 -5.433 -8.450 5.208 1.00 13.31 C ATOM 0 H LEU A 39 -8.423 -7.906 7.398 1.00 14.22 H new ATOM 0 HA LEU A 39 -7.880 -7.550 4.675 1.00 60.12 H new ATOM 0 HB2 LEU A 39 -8.277 -10.068 6.336 1.00 72.30 H new ATOM 0 HB3 LEU A 39 -7.634 -10.065 4.705 1.00 72.30 H new ATOM 0 HG LEU A 39 -6.368 -8.708 7.110 1.00 64.21 H new ATOM 0 HD11 LEU A 39 -4.625 -10.439 6.877 1.00 33.02 H new ATOM 0 HD12 LEU A 39 -6.221 -11.147 7.221 1.00 33.02 H new ATOM 0 HD13 LEU A 39 -5.562 -11.197 5.568 1.00 33.02 H new ATOM 0 HD21 LEU A 39 -4.435 -8.316 5.625 1.00 13.31 H new ATOM 0 HD22 LEU A 39 -5.360 -8.976 4.256 1.00 13.31 H new ATOM 0 HD23 LEU A 39 -5.894 -7.475 5.050 1.00 13.31 H new ATOM 650 N ASP A 40 -10.834 -8.882 5.287 1.00 74.31 N ATOM 651 CA ASP A 40 -12.130 -9.176 4.668 1.00 72.15 C ATOM 652 C ASP A 40 -12.693 -7.935 3.956 1.00 61.42 C ATOM 653 O ASP A 40 -13.071 -7.997 2.784 1.00 13.34 O ATOM 654 CB ASP A 40 -13.124 -9.678 5.720 1.00 61.03 C ATOM 655 CG ASP A 40 -14.459 -10.066 5.109 1.00 13.33 C ATOM 656 OD1 ASP A 40 -14.575 -11.197 4.595 1.00 54.21 O ATOM 657 OD2 ASP A 40 -15.396 -9.241 5.126 1.00 51.25 O ATOM 0 H ASP A 40 -10.821 -8.974 6.303 1.00 74.31 H new ATOM 0 HA ASP A 40 -11.979 -9.959 3.925 1.00 72.15 H new ATOM 0 HB2 ASP A 40 -12.699 -10.538 6.237 1.00 61.03 H new ATOM 0 HB3 ASP A 40 -13.281 -8.902 6.469 1.00 61.03 H new ATOM 662 N ASP A 41 -12.741 -6.810 4.671 1.00 71.12 N ATOM 663 CA ASP A 41 -13.216 -5.543 4.098 1.00 65.34 C ATOM 664 C ASP A 41 -12.348 -5.121 2.899 1.00 10.20 C ATOM 665 O ASP A 41 -12.852 -4.611 1.900 1.00 3.10 O ATOM 666 CB ASP A 41 -13.210 -4.446 5.175 1.00 61.01 C ATOM 667 CG ASP A 41 -13.883 -3.161 4.713 1.00 25.01 C ATOM 668 OD1 ASP A 41 -15.111 -3.182 4.486 1.00 32.12 O ATOM 669 OD2 ASP A 41 -13.190 -2.128 4.575 1.00 31.23 O ATOM 0 H ASP A 41 -12.457 -6.747 5.649 1.00 71.12 H new ATOM 0 HA ASP A 41 -14.236 -5.687 3.741 1.00 65.34 H new ATOM 0 HB2 ASP A 41 -13.717 -4.816 6.066 1.00 61.01 H new ATOM 0 HB3 ASP A 41 -12.181 -4.229 5.460 1.00 61.01 H new ATOM 674 N LEU A 42 -11.042 -5.354 3.011 1.00 24.10 N ATOM 675 CA LEU A 42 -10.093 -5.063 1.927 1.00 42.23 C ATOM 676 C LEU A 42 -10.373 -5.925 0.683 1.00 12.32 C ATOM 677 O LEU A 42 -10.645 -5.402 -0.401 1.00 70.41 O ATOM 678 CB LEU A 42 -8.659 -5.304 2.422 1.00 14.23 C ATOM 679 CG LEU A 42 -7.555 -5.214 1.351 1.00 74.22 C ATOM 680 CD1 LEU A 42 -7.494 -3.817 0.740 1.00 61.22 C ATOM 681 CD2 LEU A 42 -6.200 -5.613 1.937 1.00 32.00 C ATOM 0 H LEU A 42 -10.610 -5.747 3.847 1.00 24.10 H new ATOM 0 HA LEU A 42 -10.214 -4.018 1.640 1.00 42.23 H new ATOM 0 HB2 LEU A 42 -8.439 -4.579 3.205 1.00 14.23 H new ATOM 0 HB3 LEU A 42 -8.614 -6.292 2.880 1.00 14.23 H new ATOM 0 HG LEU A 42 -7.801 -5.915 0.554 1.00 74.22 H new ATOM 0 HD11 LEU A 42 -6.706 -3.783 -0.012 1.00 61.22 H new ATOM 0 HD12 LEU A 42 -8.451 -3.582 0.274 1.00 61.22 H new ATOM 0 HD13 LEU A 42 -7.281 -3.087 1.521 1.00 61.22 H new ATOM 0 HD21 LEU A 42 -5.434 -5.543 1.164 1.00 32.00 H new ATOM 0 HD22 LEU A 42 -5.948 -4.944 2.760 1.00 32.00 H new ATOM 0 HD23 LEU A 42 -6.250 -6.638 2.305 1.00 32.00 H new ATOM 693 N PHE A 43 -10.324 -7.248 0.859 1.00 11.10 N ATOM 694 CA PHE A 43 -10.548 -8.198 -0.241 1.00 4.23 C ATOM 695 C PHE A 43 -11.925 -7.991 -0.886 1.00 44.33 C ATOM 696 O PHE A 43 -12.068 -8.046 -2.107 1.00 1.34 O ATOM 697 CB PHE A 43 -10.421 -9.645 0.267 1.00 12.31 C ATOM 698 CG PHE A 43 -9.044 -10.034 0.760 1.00 2.15 C ATOM 699 CD1 PHE A 43 -8.020 -9.098 0.869 1.00 21.33 C ATOM 700 CD2 PHE A 43 -8.779 -11.347 1.125 1.00 42.12 C ATOM 701 CE1 PHE A 43 -6.769 -9.467 1.324 1.00 20.35 C ATOM 702 CE2 PHE A 43 -7.529 -11.720 1.580 1.00 71.32 C ATOM 703 CZ PHE A 43 -6.523 -10.778 1.682 1.00 0.55 C ATOM 0 H PHE A 43 -10.130 -7.690 1.757 1.00 11.10 H new ATOM 0 HA PHE A 43 -9.786 -8.014 -0.998 1.00 4.23 H new ATOM 0 HB2 PHE A 43 -11.135 -9.793 1.077 1.00 12.31 H new ATOM 0 HB3 PHE A 43 -10.707 -10.322 -0.538 1.00 12.31 H new ATOM 0 HD1 PHE A 43 -8.206 -8.070 0.594 1.00 21.33 H new ATOM 0 HD2 PHE A 43 -9.562 -12.088 1.052 1.00 42.12 H new ATOM 0 HE1 PHE A 43 -5.983 -8.730 1.400 1.00 20.35 H new ATOM 0 HE2 PHE A 43 -7.338 -12.747 1.856 1.00 71.32 H new ATOM 0 HZ PHE A 43 -5.546 -11.067 2.041 1.00 0.55 H new ATOM 713 N SER A 44 -12.935 -7.743 -0.053 1.00 71.33 N ATOM 714 CA SER A 44 -14.297 -7.491 -0.539 1.00 1.03 C ATOM 715 C SER A 44 -14.379 -6.163 -1.304 1.00 61.13 C ATOM 716 O SER A 44 -14.955 -6.098 -2.387 1.00 55.23 O ATOM 717 CB SER A 44 -15.295 -7.491 0.630 1.00 63.45 C ATOM 718 OG SER A 44 -15.315 -8.751 1.292 1.00 70.20 O ATOM 0 H SER A 44 -12.839 -7.711 0.962 1.00 71.33 H new ATOM 0 HA SER A 44 -14.558 -8.295 -1.227 1.00 1.03 H new ATOM 0 HB2 SER A 44 -15.027 -6.709 1.340 1.00 63.45 H new ATOM 0 HB3 SER A 44 -16.293 -7.257 0.259 1.00 63.45 H new ATOM 0 HG SER A 44 -14.587 -8.788 1.948 1.00 70.20 H new ATOM 724 N PHE A 45 -13.783 -5.110 -0.745 1.00 25.31 N ATOM 725 CA PHE A 45 -13.793 -3.788 -1.384 1.00 23.42 C ATOM 726 C PHE A 45 -13.172 -3.840 -2.790 1.00 44.44 C ATOM 727 O PHE A 45 -13.776 -3.382 -3.766 1.00 3.42 O ATOM 728 CB PHE A 45 -13.045 -2.766 -0.515 1.00 42.32 C ATOM 729 CG PHE A 45 -13.019 -1.375 -1.099 1.00 41.25 C ATOM 730 CD1 PHE A 45 -14.139 -0.558 -1.030 1.00 51.20 C ATOM 731 CD2 PHE A 45 -11.879 -0.885 -1.720 1.00 10.25 C ATOM 732 CE1 PHE A 45 -14.120 0.715 -1.565 1.00 31.51 C ATOM 733 CE2 PHE A 45 -11.857 0.387 -2.256 1.00 44.24 C ATOM 734 CZ PHE A 45 -12.978 1.189 -2.179 1.00 14.11 C ATOM 0 H PHE A 45 -13.288 -5.143 0.146 1.00 25.31 H new ATOM 0 HA PHE A 45 -14.833 -3.477 -1.484 1.00 23.42 H new ATOM 0 HB2 PHE A 45 -13.512 -2.728 0.469 1.00 42.32 H new ATOM 0 HB3 PHE A 45 -12.020 -3.108 -0.369 1.00 42.32 H new ATOM 0 HD1 PHE A 45 -15.036 -0.922 -0.552 1.00 51.20 H new ATOM 0 HD2 PHE A 45 -10.998 -1.506 -1.785 1.00 10.25 H new ATOM 0 HE1 PHE A 45 -14.999 1.340 -1.503 1.00 31.51 H new ATOM 0 HE2 PHE A 45 -10.962 0.755 -2.736 1.00 44.24 H new ATOM 0 HZ PHE A 45 -12.962 2.184 -2.598 1.00 14.11 H new ATOM 744 N MET A 46 -11.968 -4.406 -2.892 1.00 72.21 N ATOM 745 CA MET A 46 -11.295 -4.533 -4.190 1.00 52.54 C ATOM 746 C MET A 46 -12.058 -5.497 -5.120 1.00 30.23 C ATOM 747 O MET A 46 -12.087 -5.309 -6.337 1.00 61.40 O ATOM 748 CB MET A 46 -9.833 -4.973 -4.013 1.00 54.33 C ATOM 749 CG MET A 46 -9.657 -6.316 -3.318 1.00 3.33 C ATOM 750 SD MET A 46 -7.925 -6.728 -3.022 1.00 1.53 S ATOM 751 CE MET A 46 -7.271 -6.648 -4.688 1.00 50.23 C ATOM 0 H MET A 46 -11.442 -4.780 -2.102 1.00 72.21 H new ATOM 0 HA MET A 46 -11.292 -3.550 -4.662 1.00 52.54 H new ATOM 0 HB2 MET A 46 -9.360 -5.021 -4.994 1.00 54.33 H new ATOM 0 HB3 MET A 46 -9.304 -4.210 -3.441 1.00 54.33 H new ATOM 0 HG2 MET A 46 -10.190 -6.301 -2.367 1.00 3.33 H new ATOM 0 HG3 MET A 46 -10.113 -7.097 -3.926 1.00 3.33 H new ATOM 0 HE1 MET A 46 -6.310 -6.133 -4.677 1.00 50.23 H new ATOM 0 HE2 MET A 46 -7.137 -7.658 -5.075 1.00 50.23 H new ATOM 0 HE3 MET A 46 -7.967 -6.104 -5.326 1.00 50.23 H new ATOM 761 N GLN A 47 -12.703 -6.509 -4.544 1.00 73.34 N ATOM 762 CA GLN A 47 -13.545 -7.429 -5.319 1.00 2.34 C ATOM 763 C GLN A 47 -14.703 -6.683 -6.004 1.00 14.52 C ATOM 764 O GLN A 47 -14.941 -6.851 -7.202 1.00 53.14 O ATOM 765 CB GLN A 47 -14.106 -8.530 -4.407 1.00 71.43 C ATOM 766 CG GLN A 47 -15.020 -9.521 -5.120 1.00 73.43 C ATOM 767 CD GLN A 47 -15.601 -10.566 -4.182 1.00 41.14 C ATOM 768 OE1 GLN A 47 -15.815 -10.312 -2.998 1.00 34.34 O ATOM 769 NE2 GLN A 47 -15.871 -11.744 -4.704 1.00 3.30 N ATOM 0 H GLN A 47 -12.662 -6.716 -3.546 1.00 73.34 H new ATOM 0 HA GLN A 47 -12.923 -7.880 -6.092 1.00 2.34 H new ATOM 0 HB2 GLN A 47 -13.275 -9.075 -3.960 1.00 71.43 H new ATOM 0 HB3 GLN A 47 -14.658 -8.065 -3.591 1.00 71.43 H new ATOM 0 HG2 GLN A 47 -15.834 -8.977 -5.600 1.00 73.43 H new ATOM 0 HG3 GLN A 47 -14.460 -10.020 -5.911 1.00 73.43 H new ATOM 0 HE21 GLN A 47 -15.681 -11.920 -5.690 1.00 3.30 H new ATOM 0 HE22 GLN A 47 -16.271 -12.480 -4.122 1.00 3.30 H new ATOM 778 N LYS A 48 -15.406 -5.848 -5.239 1.00 25.23 N ATOM 779 CA LYS A 48 -16.567 -5.098 -5.748 1.00 60.52 C ATOM 780 C LYS A 48 -16.205 -4.222 -6.963 1.00 13.42 C ATOM 781 O LYS A 48 -16.948 -4.173 -7.945 1.00 43.02 O ATOM 782 CB LYS A 48 -17.157 -4.226 -4.629 1.00 21.05 C ATOM 783 CG LYS A 48 -17.629 -5.024 -3.415 1.00 5.32 C ATOM 784 CD LYS A 48 -18.056 -4.121 -2.260 1.00 70.01 C ATOM 785 CE LYS A 48 -18.391 -4.923 -1.005 1.00 25.24 C ATOM 786 NZ LYS A 48 -19.528 -5.857 -1.225 1.00 53.34 N ATOM 0 H LYS A 48 -15.194 -5.669 -4.257 1.00 25.23 H new ATOM 0 HA LYS A 48 -17.308 -5.825 -6.079 1.00 60.52 H new ATOM 0 HB2 LYS A 48 -16.406 -3.504 -4.309 1.00 21.05 H new ATOM 0 HB3 LYS A 48 -17.997 -3.657 -5.028 1.00 21.05 H new ATOM 0 HG2 LYS A 48 -18.465 -5.661 -3.704 1.00 5.32 H new ATOM 0 HG3 LYS A 48 -16.827 -5.683 -3.081 1.00 5.32 H new ATOM 0 HD2 LYS A 48 -17.257 -3.414 -2.037 1.00 70.01 H new ATOM 0 HD3 LYS A 48 -18.925 -3.535 -2.559 1.00 70.01 H new ATOM 0 HE2 LYS A 48 -17.513 -5.488 -0.692 1.00 25.24 H new ATOM 0 HE3 LYS A 48 -18.636 -4.239 -0.193 1.00 25.24 H new ATOM 0 HZ1 LYS A 48 -19.777 -6.319 -0.327 1.00 53.34 H new ATOM 0 HZ2 LYS A 48 -20.349 -5.327 -1.581 1.00 53.34 H new ATOM 0 HZ3 LYS A 48 -19.254 -6.579 -1.922 1.00 53.34 H new ATOM 800 N ARG A 49 -15.054 -3.547 -6.898 1.00 31.42 N ATOM 801 CA ARG A 49 -14.595 -2.682 -8.003 1.00 51.45 C ATOM 802 C ARG A 49 -14.092 -3.496 -9.213 1.00 34.20 C ATOM 803 O ARG A 49 -13.697 -2.927 -10.234 1.00 54.11 O ATOM 804 CB ARG A 49 -13.500 -1.715 -7.518 1.00 71.11 C ATOM 805 CG ARG A 49 -12.355 -2.400 -6.783 1.00 34.33 C ATOM 806 CD ARG A 49 -11.278 -1.417 -6.328 1.00 75.33 C ATOM 807 NE ARG A 49 -10.368 -1.034 -7.411 1.00 21.53 N ATOM 808 CZ ARG A 49 -10.308 0.160 -7.939 1.00 12.53 C ATOM 809 NH1 ARG A 49 -11.139 1.083 -7.578 1.00 51.53 N ATOM 810 NH2 ARG A 49 -9.414 0.419 -8.835 1.00 10.24 N ATOM 0 H ARG A 49 -14.421 -3.578 -6.099 1.00 31.42 H new ATOM 0 HA ARG A 49 -15.458 -2.105 -8.335 1.00 51.45 H new ATOM 0 HB2 ARG A 49 -13.098 -1.177 -8.376 1.00 71.11 H new ATOM 0 HB3 ARG A 49 -13.950 -0.973 -6.859 1.00 71.11 H new ATOM 0 HG2 ARG A 49 -12.750 -2.928 -5.915 1.00 34.33 H new ATOM 0 HG3 ARG A 49 -11.906 -3.149 -7.435 1.00 34.33 H new ATOM 0 HD2 ARG A 49 -11.754 -0.523 -5.926 1.00 75.33 H new ATOM 0 HD3 ARG A 49 -10.703 -1.864 -5.517 1.00 75.33 H new ATOM 0 HE ARG A 49 -9.739 -1.748 -7.778 1.00 21.53 H new ATOM 0 HH11 ARG A 49 -11.850 0.882 -6.875 1.00 51.53 H new ATOM 0 HH12 ARG A 49 -11.083 2.012 -7.997 1.00 51.53 H new ATOM 0 HH21 ARG A 49 -8.759 -0.307 -9.127 1.00 10.24 H new ATOM 0 HH22 ARG A 49 -9.363 1.349 -9.250 1.00 10.24 H new ATOM 824 N GLY A 50 -14.107 -4.824 -9.091 1.00 4.32 N ATOM 825 CA GLY A 50 -13.749 -5.691 -10.211 1.00 12.42 C ATOM 826 C GLY A 50 -12.310 -6.198 -10.171 1.00 62.10 C ATOM 827 O GLY A 50 -11.731 -6.515 -11.210 1.00 40.33 O ATOM 0 H GLY A 50 -14.361 -5.318 -8.235 1.00 4.32 H new ATOM 0 HA2 GLY A 50 -14.424 -6.547 -10.224 1.00 12.42 H new ATOM 0 HA3 GLY A 50 -13.905 -5.147 -11.142 1.00 12.42 H new ATOM 831 N THR A 51 -11.727 -6.285 -8.978 1.00 54.22 N ATOM 832 CA THR A 51 -10.355 -6.798 -8.826 1.00 64.23 C ATOM 833 C THR A 51 -10.174 -7.564 -7.500 1.00 35.01 C ATOM 834 O THR A 51 -9.661 -7.029 -6.520 1.00 41.30 O ATOM 835 CB THR A 51 -9.298 -5.660 -8.939 1.00 73.34 C ATOM 836 OG1 THR A 51 -7.973 -6.167 -8.716 1.00 2.33 O ATOM 837 CG2 THR A 51 -9.582 -4.525 -7.960 1.00 73.31 C ATOM 0 H THR A 51 -12.174 -6.010 -8.103 1.00 54.22 H new ATOM 0 HA THR A 51 -10.192 -7.497 -9.647 1.00 64.23 H new ATOM 0 HB THR A 51 -9.365 -5.264 -9.952 1.00 73.34 H new ATOM 0 HG1 THR A 51 -7.326 -5.435 -8.793 1.00 2.33 H new ATOM 0 HG21 THR A 51 -8.822 -3.751 -8.070 1.00 73.31 H new ATOM 0 HG22 THR A 51 -10.564 -4.102 -8.169 1.00 73.31 H new ATOM 0 HG23 THR A 51 -9.562 -4.910 -6.941 1.00 73.31 H new ATOM 845 N PRO A 52 -10.633 -8.832 -7.438 1.00 43.43 N ATOM 846 CA PRO A 52 -10.441 -9.682 -6.250 1.00 4.33 C ATOM 847 C PRO A 52 -8.995 -10.191 -6.125 1.00 3.15 C ATOM 848 O PRO A 52 -8.182 -10.020 -7.039 1.00 72.23 O ATOM 849 CB PRO A 52 -11.412 -10.846 -6.496 1.00 13.21 C ATOM 850 CG PRO A 52 -11.510 -10.941 -7.982 1.00 5.21 C ATOM 851 CD PRO A 52 -11.380 -9.529 -8.504 1.00 53.11 C ATOM 0 HA PRO A 52 -10.627 -9.144 -5.320 1.00 4.33 H new ATOM 0 HB2 PRO A 52 -11.038 -11.774 -6.063 1.00 13.21 H new ATOM 0 HB3 PRO A 52 -12.386 -10.653 -6.045 1.00 13.21 H new ATOM 0 HG2 PRO A 52 -10.723 -11.579 -8.384 1.00 5.21 H new ATOM 0 HG3 PRO A 52 -12.461 -11.381 -8.282 1.00 5.21 H new ATOM 0 HD2 PRO A 52 -10.845 -9.500 -9.453 1.00 53.11 H new ATOM 0 HD3 PRO A 52 -12.355 -9.073 -8.674 1.00 53.11 H new ATOM 859 N VAL A 53 -8.672 -10.825 -5.002 1.00 53.02 N ATOM 860 CA VAL A 53 -7.314 -11.327 -4.776 1.00 34.31 C ATOM 861 C VAL A 53 -7.035 -12.586 -5.615 1.00 41.01 C ATOM 862 O VAL A 53 -7.315 -13.713 -5.196 1.00 43.13 O ATOM 863 CB VAL A 53 -7.052 -11.621 -3.277 1.00 74.44 C ATOM 864 CG1 VAL A 53 -5.623 -12.123 -3.058 1.00 24.32 C ATOM 865 CG2 VAL A 53 -7.321 -10.374 -2.435 1.00 60.42 C ATOM 0 H VAL A 53 -9.323 -11.004 -4.238 1.00 53.02 H new ATOM 0 HA VAL A 53 -6.631 -10.539 -5.093 1.00 34.31 H new ATOM 0 HB VAL A 53 -7.736 -12.408 -2.960 1.00 74.44 H new ATOM 0 HG11 VAL A 53 -5.466 -12.322 -1.998 1.00 24.32 H new ATOM 0 HG12 VAL A 53 -5.469 -13.040 -3.626 1.00 24.32 H new ATOM 0 HG13 VAL A 53 -4.916 -11.365 -3.394 1.00 24.32 H new ATOM 0 HG21 VAL A 53 -7.133 -10.597 -1.385 1.00 60.42 H new ATOM 0 HG22 VAL A 53 -6.663 -9.567 -2.759 1.00 60.42 H new ATOM 0 HG23 VAL A 53 -8.359 -10.067 -2.560 1.00 60.42 H new ATOM 875 N ASN A 54 -6.522 -12.372 -6.825 1.00 2.42 N ATOM 876 CA ASN A 54 -6.142 -13.469 -7.723 1.00 41.23 C ATOM 877 C ASN A 54 -4.886 -14.174 -7.198 1.00 33.14 C ATOM 878 O ASN A 54 -4.810 -15.403 -7.141 1.00 14.22 O ATOM 879 CB ASN A 54 -5.867 -12.918 -9.125 1.00 22.42 C ATOM 880 CG ASN A 54 -6.957 -11.980 -9.616 1.00 53.22 C ATOM 881 OD1 ASN A 54 -6.678 -11.007 -10.305 1.00 45.22 O ATOM 882 ND2 ASN A 54 -8.201 -12.263 -9.282 1.00 1.15 N ATOM 0 H ASN A 54 -6.358 -11.442 -7.211 1.00 2.42 H new ATOM 0 HA ASN A 54 -6.962 -14.186 -7.766 1.00 41.23 H new ATOM 0 HB2 ASN A 54 -4.914 -12.389 -9.122 1.00 22.42 H new ATOM 0 HB3 ASN A 54 -5.768 -13.749 -9.823 1.00 22.42 H new ATOM 0 HD21 ASN A 54 -8.963 -11.664 -9.599 1.00 1.15 H new ATOM 0 HD22 ASN A 54 -8.401 -13.081 -8.707 1.00 1.15 H new ATOM 889 N ARG A 55 -3.906 -13.361 -6.821 1.00 52.01 N ATOM 890 CA ARG A 55 -2.646 -13.839 -6.258 1.00 4.22 C ATOM 891 C ARG A 55 -2.187 -12.917 -5.124 1.00 33.42 C ATOM 892 O ARG A 55 -2.723 -11.825 -4.942 1.00 35.15 O ATOM 893 CB ARG A 55 -1.558 -13.891 -7.339 1.00 21.15 C ATOM 894 CG ARG A 55 -1.311 -12.545 -8.021 1.00 51.15 C ATOM 895 CD ARG A 55 0.126 -12.416 -8.514 1.00 24.22 C ATOM 896 NE ARG A 55 1.080 -12.465 -7.401 1.00 43.52 N ATOM 897 CZ ARG A 55 2.274 -11.939 -7.426 1.00 22.25 C ATOM 898 NH1 ARG A 55 2.712 -11.349 -8.490 1.00 51.30 N ATOM 899 NH2 ARG A 55 3.031 -12.011 -6.379 1.00 4.43 N ATOM 0 H ARG A 55 -3.962 -12.345 -6.897 1.00 52.01 H new ATOM 0 HA ARG A 55 -2.810 -14.843 -5.866 1.00 4.22 H new ATOM 0 HB2 ARG A 55 -0.627 -14.238 -6.890 1.00 21.15 H new ATOM 0 HB3 ARG A 55 -1.841 -14.625 -8.093 1.00 21.15 H new ATOM 0 HG2 ARG A 55 -1.995 -12.432 -8.862 1.00 51.15 H new ATOM 0 HG3 ARG A 55 -1.529 -11.738 -7.322 1.00 51.15 H new ATOM 0 HD2 ARG A 55 0.344 -13.219 -9.218 1.00 24.22 H new ATOM 0 HD3 ARG A 55 0.244 -11.477 -9.055 1.00 24.22 H new ATOM 0 HE ARG A 55 0.790 -12.943 -6.548 1.00 43.52 H new ATOM 0 HH11 ARG A 55 2.123 -11.291 -9.320 1.00 51.30 H new ATOM 0 HH12 ARG A 55 3.647 -10.941 -8.499 1.00 51.30 H new ATOM 0 HH21 ARG A 55 2.694 -12.478 -5.537 1.00 4.43 H new ATOM 0 HH22 ARG A 55 3.965 -11.601 -6.396 1.00 4.43 H new ATOM 913 N ILE A 56 -1.192 -13.362 -4.368 1.00 10.33 N ATOM 914 CA ILE A 56 -0.629 -12.564 -3.278 1.00 30.51 C ATOM 915 C ILE A 56 0.818 -12.141 -3.598 1.00 71.30 C ATOM 916 O ILE A 56 1.604 -12.938 -4.129 1.00 60.51 O ATOM 917 CB ILE A 56 -0.671 -13.356 -1.944 1.00 61.11 C ATOM 918 CG1 ILE A 56 -2.121 -13.757 -1.620 1.00 51.23 C ATOM 919 CG2 ILE A 56 -0.069 -12.541 -0.801 1.00 22.11 C ATOM 920 CD1 ILE A 56 -2.269 -14.551 -0.341 1.00 72.31 C ATOM 0 H ILE A 56 -0.754 -14.275 -4.488 1.00 10.33 H new ATOM 0 HA ILE A 56 -1.236 -11.665 -3.171 1.00 30.51 H new ATOM 0 HB ILE A 56 -0.071 -14.259 -2.058 1.00 61.11 H new ATOM 0 HG12 ILE A 56 -2.729 -12.855 -1.548 1.00 51.23 H new ATOM 0 HG13 ILE A 56 -2.518 -14.344 -2.448 1.00 51.23 H new ATOM 0 HG21 ILE A 56 -0.112 -13.121 0.121 1.00 22.11 H new ATOM 0 HG22 ILE A 56 0.969 -12.302 -1.032 1.00 22.11 H new ATOM 0 HG23 ILE A 56 -0.634 -11.617 -0.676 1.00 22.11 H new ATOM 0 HD11 ILE A 56 -3.320 -14.795 -0.184 1.00 72.31 H new ATOM 0 HD12 ILE A 56 -1.690 -15.472 -0.415 1.00 72.31 H new ATOM 0 HD13 ILE A 56 -1.904 -13.960 0.499 1.00 72.31 H new ATOM 932 N PRO A 57 1.181 -10.869 -3.327 1.00 13.23 N ATOM 933 CA PRO A 57 2.559 -10.382 -3.512 1.00 23.01 C ATOM 934 C PRO A 57 3.567 -11.073 -2.574 1.00 74.02 C ATOM 935 O PRO A 57 3.475 -10.966 -1.350 1.00 41.34 O ATOM 936 CB PRO A 57 2.458 -8.879 -3.199 1.00 72.02 C ATOM 937 CG PRO A 57 1.230 -8.741 -2.362 1.00 45.45 C ATOM 938 CD PRO A 57 0.279 -9.799 -2.850 1.00 32.21 C ATOM 0 HA PRO A 57 2.930 -10.593 -4.515 1.00 23.01 H new ATOM 0 HB2 PRO A 57 3.341 -8.527 -2.666 1.00 72.02 H new ATOM 0 HB3 PRO A 57 2.381 -8.290 -4.113 1.00 72.02 H new ATOM 0 HG2 PRO A 57 1.460 -8.879 -1.305 1.00 45.45 H new ATOM 0 HG3 PRO A 57 0.796 -7.747 -2.466 1.00 45.45 H new ATOM 0 HD2 PRO A 57 -0.376 -10.150 -2.053 1.00 32.21 H new ATOM 0 HD3 PRO A 57 -0.362 -9.427 -3.649 1.00 32.21 H new ATOM 946 N ILE A 58 4.519 -11.794 -3.158 1.00 45.22 N ATOM 947 CA ILE A 58 5.574 -12.460 -2.389 1.00 3.04 C ATOM 948 C ILE A 58 6.891 -11.679 -2.506 1.00 21.14 C ATOM 949 O ILE A 58 7.339 -11.367 -3.613 1.00 30.31 O ATOM 950 CB ILE A 58 5.788 -13.921 -2.876 1.00 41.14 C ATOM 951 CG1 ILE A 58 4.478 -14.725 -2.777 1.00 22.11 C ATOM 952 CG2 ILE A 58 6.902 -14.608 -2.081 1.00 34.43 C ATOM 953 CD1 ILE A 58 3.933 -14.857 -1.367 1.00 70.14 C ATOM 0 H ILE A 58 4.585 -11.935 -4.166 1.00 45.22 H new ATOM 0 HA ILE A 58 5.260 -12.487 -1.346 1.00 3.04 H new ATOM 0 HB ILE A 58 6.092 -13.885 -3.922 1.00 41.14 H new ATOM 0 HG12 ILE A 58 3.724 -14.247 -3.403 1.00 22.11 H new ATOM 0 HG13 ILE A 58 4.645 -15.722 -3.184 1.00 22.11 H new ATOM 0 HG21 ILE A 58 7.031 -15.628 -2.442 1.00 34.43 H new ATOM 0 HG22 ILE A 58 7.834 -14.057 -2.210 1.00 34.43 H new ATOM 0 HG23 ILE A 58 6.636 -14.628 -1.024 1.00 34.43 H new ATOM 0 HD11 ILE A 58 3.010 -15.437 -1.386 1.00 70.14 H new ATOM 0 HD12 ILE A 58 4.666 -15.363 -0.739 1.00 70.14 H new ATOM 0 HD13 ILE A 58 3.731 -13.866 -0.961 1.00 70.14 H new ATOM 965 N MET A 59 7.497 -11.357 -1.368 1.00 40.31 N ATOM 966 CA MET A 59 8.740 -10.577 -1.338 1.00 63.04 C ATOM 967 C MET A 59 9.826 -11.293 -0.520 1.00 3.34 C ATOM 968 O MET A 59 9.566 -11.768 0.578 1.00 75.12 O ATOM 969 CB MET A 59 8.472 -9.186 -0.737 1.00 40.44 C ATOM 970 CG MET A 59 9.727 -8.337 -0.574 1.00 44.32 C ATOM 971 SD MET A 59 10.541 -7.976 -2.143 1.00 44.52 S ATOM 972 CE MET A 59 9.337 -6.900 -2.922 1.00 72.15 C ATOM 0 H MET A 59 7.149 -11.624 -0.447 1.00 40.31 H new ATOM 0 HA MET A 59 9.097 -10.471 -2.362 1.00 63.04 H new ATOM 0 HB2 MET A 59 7.765 -8.655 -1.374 1.00 40.44 H new ATOM 0 HB3 MET A 59 7.996 -9.306 0.236 1.00 40.44 H new ATOM 0 HG2 MET A 59 9.464 -7.400 -0.083 1.00 44.32 H new ATOM 0 HG3 MET A 59 10.427 -8.855 0.082 1.00 44.32 H new ATOM 0 HE1 MET A 59 8.873 -7.420 -3.760 1.00 72.15 H new ATOM 0 HE2 MET A 59 8.571 -6.625 -2.197 1.00 72.15 H new ATOM 0 HE3 MET A 59 9.834 -6.000 -3.284 1.00 72.15 H new ATOM 982 N ALA A 60 11.038 -11.374 -1.072 1.00 24.53 N ATOM 983 CA ALA A 60 12.192 -11.942 -0.356 1.00 51.22 C ATOM 984 C ALA A 60 11.880 -13.309 0.291 1.00 45.41 C ATOM 985 O ALA A 60 12.157 -13.522 1.475 1.00 45.41 O ATOM 986 CB ALA A 60 12.687 -10.949 0.696 1.00 34.20 C ATOM 0 H ALA A 60 11.251 -11.053 -2.017 1.00 24.53 H new ATOM 0 HA ALA A 60 12.977 -12.120 -1.091 1.00 51.22 H new ATOM 0 HB1 ALA A 60 13.541 -11.373 1.224 1.00 34.20 H new ATOM 0 HB2 ALA A 60 12.986 -10.021 0.208 1.00 34.20 H new ATOM 0 HB3 ALA A 60 11.887 -10.743 1.407 1.00 34.20 H new ATOM 992 N LYS A 61 11.306 -14.228 -0.496 1.00 73.14 N ATOM 993 CA LYS A 61 11.001 -15.599 -0.039 1.00 53.44 C ATOM 994 C LYS A 61 9.825 -15.664 0.966 1.00 23.04 C ATOM 995 O LYS A 61 9.425 -16.754 1.382 1.00 60.41 O ATOM 996 CB LYS A 61 12.248 -16.255 0.585 1.00 2.33 C ATOM 997 CG LYS A 61 13.465 -16.302 -0.341 1.00 42.12 C ATOM 998 CD LYS A 61 13.247 -17.219 -1.542 1.00 3.43 C ATOM 999 CE LYS A 61 13.009 -18.663 -1.114 1.00 4.04 C ATOM 1000 NZ LYS A 61 14.104 -19.185 -0.252 1.00 22.30 N ATOM 0 H LYS A 61 11.039 -14.048 -1.464 1.00 73.14 H new ATOM 0 HA LYS A 61 10.695 -16.149 -0.929 1.00 53.44 H new ATOM 0 HB2 LYS A 61 12.516 -15.710 1.490 1.00 2.33 H new ATOM 0 HB3 LYS A 61 11.997 -17.272 0.887 1.00 2.33 H new ATOM 0 HG2 LYS A 61 13.690 -15.295 -0.692 1.00 42.12 H new ATOM 0 HG3 LYS A 61 14.333 -16.645 0.222 1.00 42.12 H new ATOM 0 HD2 LYS A 61 12.393 -16.865 -2.119 1.00 3.43 H new ATOM 0 HD3 LYS A 61 14.116 -17.173 -2.198 1.00 3.43 H new ATOM 0 HE2 LYS A 61 12.063 -18.729 -0.576 1.00 4.04 H new ATOM 0 HE3 LYS A 61 12.916 -19.291 -2.000 1.00 4.04 H new ATOM 0 HZ1 LYS A 61 14.007 -20.216 -0.154 1.00 22.30 H new ATOM 0 HZ2 LYS A 61 15.023 -18.963 -0.686 1.00 22.30 H new ATOM 0 HZ3 LYS A 61 14.048 -18.741 0.687 1.00 22.30 H new ATOM 1014 N GLN A 62 9.261 -14.514 1.340 1.00 22.30 N ATOM 1015 CA GLN A 62 8.160 -14.469 2.317 1.00 63.20 C ATOM 1016 C GLN A 62 6.935 -13.714 1.759 1.00 31.23 C ATOM 1017 O GLN A 62 7.001 -13.112 0.690 1.00 21.42 O ATOM 1018 CB GLN A 62 8.658 -13.846 3.639 1.00 44.11 C ATOM 1019 CG GLN A 62 9.280 -12.452 3.500 1.00 73.42 C ATOM 1020 CD GLN A 62 8.256 -11.323 3.446 1.00 51.44 C ATOM 1021 OE1 GLN A 62 8.451 -10.320 2.769 1.00 54.51 O ATOM 1022 NE2 GLN A 62 7.174 -11.463 4.185 1.00 21.41 N ATOM 0 H GLN A 62 9.544 -13.601 0.985 1.00 22.30 H new ATOM 0 HA GLN A 62 7.833 -15.489 2.517 1.00 63.20 H new ATOM 0 HB2 GLN A 62 7.821 -13.787 4.334 1.00 44.11 H new ATOM 0 HB3 GLN A 62 9.395 -14.514 4.084 1.00 44.11 H new ATOM 0 HG2 GLN A 62 9.953 -12.279 4.340 1.00 73.42 H new ATOM 0 HG3 GLN A 62 9.886 -12.424 2.595 1.00 73.42 H new ATOM 0 HE21 GLN A 62 7.040 -12.310 4.738 1.00 21.41 H new ATOM 0 HE22 GLN A 62 6.470 -10.725 4.204 1.00 21.41 H new ATOM 1031 N VAL A 63 5.816 -13.763 2.480 1.00 11.20 N ATOM 1032 CA VAL A 63 4.568 -13.139 2.016 1.00 23.33 C ATOM 1033 C VAL A 63 4.466 -11.667 2.458 1.00 23.44 C ATOM 1034 O VAL A 63 4.660 -11.344 3.629 1.00 2.45 O ATOM 1035 CB VAL A 63 3.325 -13.930 2.510 1.00 13.33 C ATOM 1036 CG1 VAL A 63 3.255 -13.967 4.038 1.00 62.14 C ATOM 1037 CG2 VAL A 63 2.037 -13.358 1.917 1.00 73.40 C ATOM 0 H VAL A 63 5.743 -14.226 3.386 1.00 11.20 H new ATOM 0 HA VAL A 63 4.589 -13.165 0.927 1.00 23.33 H new ATOM 0 HB VAL A 63 3.430 -14.957 2.160 1.00 13.33 H new ATOM 0 HG11 VAL A 63 2.374 -14.528 4.348 1.00 62.14 H new ATOM 0 HG12 VAL A 63 4.150 -14.450 4.432 1.00 62.14 H new ATOM 0 HG13 VAL A 63 3.192 -12.950 4.424 1.00 62.14 H new ATOM 0 HG21 VAL A 63 1.184 -13.931 2.280 1.00 73.40 H new ATOM 0 HG22 VAL A 63 1.929 -12.316 2.218 1.00 73.40 H new ATOM 0 HG23 VAL A 63 2.079 -13.419 0.829 1.00 73.40 H new ATOM 1047 N LEU A 64 4.150 -10.776 1.519 1.00 71.10 N ATOM 1048 CA LEU A 64 4.077 -9.342 1.819 1.00 63.34 C ATOM 1049 C LEU A 64 2.879 -9.019 2.725 1.00 61.33 C ATOM 1050 O LEU A 64 1.719 -9.162 2.324 1.00 21.14 O ATOM 1051 CB LEU A 64 3.991 -8.527 0.521 1.00 44.15 C ATOM 1052 CG LEU A 64 3.948 -6.997 0.697 1.00 52.23 C ATOM 1053 CD1 LEU A 64 5.199 -6.496 1.418 1.00 1.44 C ATOM 1054 CD2 LEU A 64 3.787 -6.306 -0.658 1.00 23.05 C ATOM 0 H LEU A 64 3.941 -11.017 0.550 1.00 71.10 H new ATOM 0 HA LEU A 64 4.987 -9.068 2.352 1.00 63.34 H new ATOM 0 HB2 LEU A 64 4.849 -8.779 -0.103 1.00 44.15 H new ATOM 0 HB3 LEU A 64 3.099 -8.837 -0.023 1.00 44.15 H new ATOM 0 HG LEU A 64 3.084 -6.748 1.313 1.00 52.23 H new ATOM 0 HD11 LEU A 64 5.145 -5.413 1.530 1.00 1.44 H new ATOM 0 HD12 LEU A 64 5.262 -6.960 2.402 1.00 1.44 H new ATOM 0 HD13 LEU A 64 6.083 -6.757 0.836 1.00 1.44 H new ATOM 0 HD21 LEU A 64 3.759 -5.226 -0.514 1.00 23.05 H new ATOM 0 HD22 LEU A 64 4.629 -6.565 -1.301 1.00 23.05 H new ATOM 0 HD23 LEU A 64 2.859 -6.634 -1.126 1.00 23.05 H new ATOM 1066 N ASP A 65 3.170 -8.589 3.950 1.00 53.50 N ATOM 1067 CA ASP A 65 2.138 -8.233 4.925 1.00 13.50 C ATOM 1068 C ASP A 65 1.289 -7.043 4.438 1.00 55.15 C ATOM 1069 O ASP A 65 1.600 -5.886 4.728 1.00 20.00 O ATOM 1070 CB ASP A 65 2.794 -7.897 6.268 1.00 61.24 C ATOM 1071 CG ASP A 65 3.792 -8.958 6.699 1.00 21.54 C ATOM 1072 OD1 ASP A 65 4.904 -8.987 6.132 1.00 61.03 O ATOM 1073 OD2 ASP A 65 3.461 -9.772 7.586 1.00 3.22 O ATOM 0 H ASP A 65 4.123 -8.477 4.296 1.00 53.50 H new ATOM 0 HA ASP A 65 1.473 -9.088 5.046 1.00 13.50 H new ATOM 0 HB2 ASP A 65 3.299 -6.934 6.193 1.00 61.24 H new ATOM 0 HB3 ASP A 65 2.023 -7.794 7.032 1.00 61.24 H new ATOM 1078 N LEU A 66 0.227 -7.336 3.687 1.00 72.45 N ATOM 1079 CA LEU A 66 -0.674 -6.296 3.159 1.00 1.10 C ATOM 1080 C LEU A 66 -1.176 -5.353 4.263 1.00 32.52 C ATOM 1081 O LEU A 66 -1.210 -4.134 4.084 1.00 45.04 O ATOM 1082 CB LEU A 66 -1.868 -6.942 2.440 1.00 73.04 C ATOM 1083 CG LEU A 66 -1.521 -7.752 1.178 1.00 14.23 C ATOM 1084 CD1 LEU A 66 -2.778 -8.377 0.574 1.00 71.11 C ATOM 1085 CD2 LEU A 66 -0.808 -6.869 0.151 1.00 72.20 C ATOM 0 H LEU A 66 -0.036 -8.287 3.427 1.00 72.45 H new ATOM 0 HA LEU A 66 -0.100 -5.699 2.450 1.00 1.10 H new ATOM 0 HB2 LEU A 66 -2.381 -7.599 3.143 1.00 73.04 H new ATOM 0 HB3 LEU A 66 -2.572 -6.157 2.165 1.00 73.04 H new ATOM 0 HG LEU A 66 -0.845 -8.558 1.464 1.00 14.23 H new ATOM 0 HD11 LEU A 66 -2.510 -8.945 -0.317 1.00 71.11 H new ATOM 0 HD12 LEU A 66 -3.240 -9.043 1.303 1.00 71.11 H new ATOM 0 HD13 LEU A 66 -3.482 -7.590 0.304 1.00 71.11 H new ATOM 0 HD21 LEU A 66 -0.571 -7.459 -0.734 1.00 72.20 H new ATOM 0 HD22 LEU A 66 -1.458 -6.040 -0.129 1.00 72.20 H new ATOM 0 HD23 LEU A 66 0.113 -6.478 0.584 1.00 72.20 H new ATOM 1097 N PHE A 67 -1.560 -5.923 5.406 1.00 35.15 N ATOM 1098 CA PHE A 67 -2.035 -5.128 6.546 1.00 43.51 C ATOM 1099 C PHE A 67 -0.967 -4.121 7.008 1.00 71.20 C ATOM 1100 O PHE A 67 -1.241 -2.928 7.156 1.00 60.13 O ATOM 1101 CB PHE A 67 -2.417 -6.057 7.712 1.00 54.31 C ATOM 1102 CG PHE A 67 -2.986 -5.334 8.914 1.00 51.55 C ATOM 1103 CD1 PHE A 67 -2.149 -4.763 9.865 1.00 63.54 C ATOM 1104 CD2 PHE A 67 -4.358 -5.221 9.089 1.00 71.42 C ATOM 1105 CE1 PHE A 67 -2.667 -4.098 10.957 1.00 54.31 C ATOM 1106 CE2 PHE A 67 -4.879 -4.557 10.182 1.00 14.15 C ATOM 1107 CZ PHE A 67 -4.034 -3.994 11.115 1.00 72.20 C ATOM 0 H PHE A 67 -1.553 -6.930 5.570 1.00 35.15 H new ATOM 0 HA PHE A 67 -2.913 -4.568 6.224 1.00 43.51 H new ATOM 0 HB2 PHE A 67 -3.148 -6.785 7.359 1.00 54.31 H new ATOM 0 HB3 PHE A 67 -1.534 -6.616 8.022 1.00 54.31 H new ATOM 0 HD1 PHE A 67 -1.078 -4.841 9.748 1.00 63.54 H new ATOM 0 HD2 PHE A 67 -5.026 -5.658 8.362 1.00 71.42 H new ATOM 0 HE1 PHE A 67 -2.003 -3.659 11.687 1.00 54.31 H new ATOM 0 HE2 PHE A 67 -5.949 -4.479 10.306 1.00 14.15 H new ATOM 0 HZ PHE A 67 -4.441 -3.472 11.968 1.00 72.20 H new ATOM 1117 N MET A 68 0.256 -4.610 7.218 1.00 53.24 N ATOM 1118 CA MET A 68 1.349 -3.767 7.708 1.00 64.41 C ATOM 1119 C MET A 68 1.766 -2.735 6.651 1.00 73.03 C ATOM 1120 O MET A 68 1.995 -1.570 6.967 1.00 4.02 O ATOM 1121 CB MET A 68 2.554 -4.630 8.105 1.00 44.22 C ATOM 1122 CG MET A 68 2.227 -5.709 9.129 1.00 15.53 C ATOM 1123 SD MET A 68 1.483 -5.045 10.635 1.00 23.20 S ATOM 1124 CE MET A 68 2.789 -3.967 11.227 1.00 55.53 C ATOM 0 H MET A 68 0.515 -5.583 7.057 1.00 53.24 H new ATOM 0 HA MET A 68 0.991 -3.231 8.587 1.00 64.41 H new ATOM 0 HB2 MET A 68 2.961 -5.102 7.211 1.00 44.22 H new ATOM 0 HB3 MET A 68 3.334 -3.984 8.508 1.00 44.22 H new ATOM 0 HG2 MET A 68 1.546 -6.433 8.682 1.00 15.53 H new ATOM 0 HG3 MET A 68 3.139 -6.247 9.387 1.00 15.53 H new ATOM 0 HE1 MET A 68 2.586 -3.683 12.260 1.00 55.53 H new ATOM 0 HE2 MET A 68 3.744 -4.490 11.175 1.00 55.53 H new ATOM 0 HE3 MET A 68 2.832 -3.072 10.606 1.00 55.53 H new ATOM 1134 N LEU A 69 1.855 -3.175 5.397 1.00 42.40 N ATOM 1135 CA LEU A 69 2.197 -2.289 4.280 1.00 60.13 C ATOM 1136 C LEU A 69 1.257 -1.076 4.238 1.00 35.50 C ATOM 1137 O LEU A 69 1.701 0.067 4.110 1.00 22.40 O ATOM 1138 CB LEU A 69 2.123 -3.056 2.950 1.00 3.10 C ATOM 1139 CG LEU A 69 2.630 -2.285 1.719 1.00 14.02 C ATOM 1140 CD1 LEU A 69 4.120 -1.988 1.850 1.00 22.41 C ATOM 1141 CD2 LEU A 69 2.339 -3.060 0.437 1.00 10.01 C ATOM 0 H LEU A 69 1.694 -4.145 5.126 1.00 42.40 H new ATOM 0 HA LEU A 69 3.216 -1.932 4.429 1.00 60.13 H new ATOM 0 HB2 LEU A 69 2.701 -3.975 3.047 1.00 3.10 H new ATOM 0 HB3 LEU A 69 1.088 -3.348 2.775 1.00 3.10 H new ATOM 0 HG LEU A 69 2.097 -1.336 1.665 1.00 14.02 H new ATOM 0 HD11 LEU A 69 4.461 -1.442 0.970 1.00 22.41 H new ATOM 0 HD12 LEU A 69 4.294 -1.385 2.741 1.00 22.41 H new ATOM 0 HD13 LEU A 69 4.672 -2.924 1.932 1.00 22.41 H new ATOM 0 HD21 LEU A 69 2.706 -2.496 -0.420 1.00 10.01 H new ATOM 0 HD22 LEU A 69 2.839 -4.028 0.476 1.00 10.01 H new ATOM 0 HD23 LEU A 69 1.264 -3.210 0.339 1.00 10.01 H new ATOM 1153 N TYR A 70 -0.044 -1.338 4.363 1.00 51.11 N ATOM 1154 CA TYR A 70 -1.056 -0.277 4.399 1.00 2.35 C ATOM 1155 C TYR A 70 -0.755 0.742 5.513 1.00 51.10 C ATOM 1156 O TYR A 70 -0.716 1.948 5.270 1.00 33.34 O ATOM 1157 CB TYR A 70 -2.449 -0.889 4.601 1.00 43.14 C ATOM 1158 CG TYR A 70 -3.578 0.127 4.618 1.00 62.22 C ATOM 1159 CD1 TYR A 70 -4.105 0.629 3.430 1.00 54.24 C ATOM 1160 CD2 TYR A 70 -4.117 0.582 5.819 1.00 31.33 C ATOM 1161 CE1 TYR A 70 -5.134 1.554 3.442 1.00 70.52 C ATOM 1162 CE2 TYR A 70 -5.144 1.505 5.835 1.00 71.25 C ATOM 1163 CZ TYR A 70 -5.649 1.987 4.647 1.00 3.41 C ATOM 1164 OH TYR A 70 -6.671 2.907 4.663 1.00 52.20 O ATOM 0 H TYR A 70 -0.425 -2.281 4.442 1.00 51.11 H new ATOM 0 HA TYR A 70 -1.031 0.251 3.446 1.00 2.35 H new ATOM 0 HB2 TYR A 70 -2.636 -1.610 3.805 1.00 43.14 H new ATOM 0 HB3 TYR A 70 -2.458 -1.442 5.540 1.00 43.14 H new ATOM 0 HD1 TYR A 70 -3.704 0.291 2.486 1.00 54.24 H new ATOM 0 HD2 TYR A 70 -3.725 0.207 6.753 1.00 31.33 H new ATOM 0 HE1 TYR A 70 -5.532 1.935 2.513 1.00 70.52 H new ATOM 0 HE2 TYR A 70 -5.550 1.848 6.775 1.00 71.25 H new ATOM 0 HH TYR A 70 -6.919 3.105 5.590 1.00 52.20 H new ATOM 1174 N VAL A 71 -0.531 0.247 6.730 1.00 22.10 N ATOM 1175 CA VAL A 71 -0.233 1.111 7.880 1.00 43.11 C ATOM 1176 C VAL A 71 1.033 1.961 7.647 1.00 60.14 C ATOM 1177 O VAL A 71 0.988 3.190 7.714 1.00 3.12 O ATOM 1178 CB VAL A 71 -0.052 0.277 9.176 1.00 51.40 C ATOM 1179 CG1 VAL A 71 0.257 1.181 10.372 1.00 65.34 C ATOM 1180 CG2 VAL A 71 -1.289 -0.581 9.446 1.00 22.34 C ATOM 0 H VAL A 71 -0.550 -0.749 6.949 1.00 22.10 H new ATOM 0 HA VAL A 71 -1.087 1.779 7.995 1.00 43.11 H new ATOM 0 HB VAL A 71 0.798 -0.389 9.032 1.00 51.40 H new ATOM 0 HG11 VAL A 71 0.379 0.571 11.267 1.00 65.34 H new ATOM 0 HG12 VAL A 71 1.177 1.734 10.182 1.00 65.34 H new ATOM 0 HG13 VAL A 71 -0.564 1.882 10.520 1.00 65.34 H new ATOM 0 HG21 VAL A 71 -1.140 -1.157 10.359 1.00 22.34 H new ATOM 0 HG22 VAL A 71 -2.161 0.063 9.562 1.00 22.34 H new ATOM 0 HG23 VAL A 71 -1.449 -1.262 8.610 1.00 22.34 H new ATOM 1190 N LEU A 72 2.148 1.293 7.351 1.00 2.45 N ATOM 1191 CA LEU A 72 3.444 1.966 7.172 1.00 63.31 C ATOM 1192 C LEU A 72 3.404 3.057 6.086 1.00 15.13 C ATOM 1193 O LEU A 72 4.088 4.076 6.204 1.00 30.43 O ATOM 1194 CB LEU A 72 4.547 0.938 6.849 1.00 4.32 C ATOM 1195 CG LEU A 72 5.185 0.234 8.066 1.00 61.53 C ATOM 1196 CD1 LEU A 72 5.834 1.256 8.993 1.00 72.42 C ATOM 1197 CD2 LEU A 72 4.161 -0.603 8.827 1.00 10.11 C ATOM 0 H LEU A 72 2.184 0.281 7.229 1.00 2.45 H new ATOM 0 HA LEU A 72 3.672 2.461 8.116 1.00 63.31 H new ATOM 0 HB2 LEU A 72 4.127 0.177 6.192 1.00 4.32 H new ATOM 0 HB3 LEU A 72 5.335 1.442 6.290 1.00 4.32 H new ATOM 0 HG LEU A 72 5.955 -0.441 7.694 1.00 61.53 H new ATOM 0 HD11 LEU A 72 6.279 0.743 9.846 1.00 72.42 H new ATOM 0 HD12 LEU A 72 6.609 1.798 8.451 1.00 72.42 H new ATOM 0 HD13 LEU A 72 5.079 1.958 9.346 1.00 72.42 H new ATOM 0 HD21 LEU A 72 4.644 -1.084 9.677 1.00 10.11 H new ATOM 0 HD22 LEU A 72 3.357 0.041 9.183 1.00 10.11 H new ATOM 0 HD23 LEU A 72 3.749 -1.365 8.165 1.00 10.11 H new ATOM 1209 N VAL A 73 2.617 2.843 5.033 1.00 4.24 N ATOM 1210 CA VAL A 73 2.504 3.825 3.945 1.00 15.02 C ATOM 1211 C VAL A 73 1.537 4.972 4.296 1.00 31.44 C ATOM 1212 O VAL A 73 1.911 6.149 4.251 1.00 43.45 O ATOM 1213 CB VAL A 73 2.044 3.149 2.627 1.00 44.51 C ATOM 1214 CG1 VAL A 73 1.802 4.185 1.527 1.00 52.32 C ATOM 1215 CG2 VAL A 73 3.067 2.107 2.170 1.00 4.54 C ATOM 0 H VAL A 73 2.049 2.005 4.906 1.00 4.24 H new ATOM 0 HA VAL A 73 3.499 4.247 3.806 1.00 15.02 H new ATOM 0 HB VAL A 73 1.099 2.643 2.823 1.00 44.51 H new ATOM 0 HG11 VAL A 73 1.481 3.680 0.616 1.00 52.32 H new ATOM 0 HG12 VAL A 73 1.028 4.882 1.848 1.00 52.32 H new ATOM 0 HG13 VAL A 73 2.725 4.732 1.333 1.00 52.32 H new ATOM 0 HG21 VAL A 73 2.726 1.644 1.244 1.00 4.54 H new ATOM 0 HG22 VAL A 73 4.029 2.591 2.001 1.00 4.54 H new ATOM 0 HG23 VAL A 73 3.176 1.342 2.939 1.00 4.54 H new ATOM 1225 N THR A 74 0.300 4.628 4.657 1.00 41.21 N ATOM 1226 CA THR A 74 -0.731 5.638 4.962 1.00 50.42 C ATOM 1227 C THR A 74 -0.305 6.585 6.092 1.00 5.12 C ATOM 1228 O THR A 74 -0.539 7.792 6.014 1.00 45.14 O ATOM 1229 CB THR A 74 -2.088 4.997 5.342 1.00 50.31 C ATOM 1230 OG1 THR A 74 -1.934 4.138 6.487 1.00 74.13 O ATOM 1231 CG2 THR A 74 -2.665 4.203 4.175 1.00 15.50 C ATOM 0 H THR A 74 -0.018 3.663 4.747 1.00 41.21 H new ATOM 0 HA THR A 74 -0.850 6.210 4.042 1.00 50.42 H new ATOM 0 HB THR A 74 -2.780 5.802 5.589 1.00 50.31 H new ATOM 0 HG1 THR A 74 -1.507 3.300 6.212 1.00 74.13 H new ATOM 0 HG21 THR A 74 -3.618 3.764 4.470 1.00 15.50 H new ATOM 0 HG22 THR A 74 -2.819 4.867 3.324 1.00 15.50 H new ATOM 0 HG23 THR A 74 -1.971 3.410 3.896 1.00 15.50 H new ATOM 1239 N GLU A 75 0.337 6.045 7.131 1.00 34.20 N ATOM 1240 CA GLU A 75 0.784 6.860 8.271 1.00 1.53 C ATOM 1241 C GLU A 75 1.742 7.981 7.830 1.00 63.50 C ATOM 1242 O GLU A 75 1.857 9.012 8.494 1.00 73.05 O ATOM 1243 CB GLU A 75 1.480 5.990 9.330 1.00 44.44 C ATOM 1244 CG GLU A 75 2.869 5.509 8.922 1.00 0.32 C ATOM 1245 CD GLU A 75 3.653 4.923 10.083 1.00 45.21 C ATOM 1246 OE1 GLU A 75 3.959 5.676 11.031 1.00 11.51 O ATOM 1247 OE2 GLU A 75 3.996 3.730 10.037 1.00 41.22 O ATOM 0 H GLU A 75 0.560 5.053 7.210 1.00 34.20 H new ATOM 0 HA GLU A 75 -0.109 7.313 8.702 1.00 1.53 H new ATOM 0 HB2 GLU A 75 1.561 6.559 10.256 1.00 44.44 H new ATOM 0 HB3 GLU A 75 0.854 5.123 9.542 1.00 44.44 H new ATOM 0 HG2 GLU A 75 2.773 4.757 8.138 1.00 0.32 H new ATOM 0 HG3 GLU A 75 3.427 6.343 8.497 1.00 0.32 H new ATOM 1254 N LYS A 76 2.441 7.769 6.714 1.00 20.20 N ATOM 1255 CA LYS A 76 3.378 8.767 6.191 1.00 44.55 C ATOM 1256 C LYS A 76 2.631 9.911 5.489 1.00 12.23 C ATOM 1257 O LYS A 76 3.147 11.024 5.375 1.00 42.45 O ATOM 1258 CB LYS A 76 4.364 8.118 5.207 1.00 3.43 C ATOM 1259 CG LYS A 76 5.150 6.940 5.781 1.00 43.12 C ATOM 1260 CD LYS A 76 5.968 7.334 7.011 1.00 73.14 C ATOM 1261 CE LYS A 76 6.853 6.189 7.502 1.00 2.14 C ATOM 1262 NZ LYS A 76 6.063 5.002 7.935 1.00 74.41 N ATOM 0 H LYS A 76 2.377 6.918 6.155 1.00 20.20 H new ATOM 0 HA LYS A 76 3.931 9.176 7.036 1.00 44.55 H new ATOM 0 HB2 LYS A 76 3.812 7.778 4.331 1.00 3.43 H new ATOM 0 HB3 LYS A 76 5.068 8.876 4.865 1.00 3.43 H new ATOM 0 HG2 LYS A 76 4.459 6.140 6.048 1.00 43.12 H new ATOM 0 HG3 LYS A 76 5.817 6.543 5.016 1.00 43.12 H new ATOM 0 HD2 LYS A 76 6.591 8.196 6.771 1.00 73.14 H new ATOM 0 HD3 LYS A 76 5.294 7.640 7.811 1.00 73.14 H new ATOM 0 HE2 LYS A 76 7.537 5.895 6.705 1.00 2.14 H new ATOM 0 HE3 LYS A 76 7.464 6.538 8.334 1.00 2.14 H new ATOM 0 HZ1 LYS A 76 6.532 4.134 7.606 1.00 74.41 H new ATOM 0 HZ2 LYS A 76 5.997 4.988 8.973 1.00 74.41 H new ATOM 0 HZ3 LYS A 76 5.107 5.054 7.528 1.00 74.41 H new ATOM 1276 N GLY A 77 1.408 9.633 5.038 1.00 55.31 N ATOM 1277 CA GLY A 77 0.627 10.622 4.296 1.00 34.43 C ATOM 1278 C GLY A 77 -0.013 10.057 3.028 1.00 34.30 C ATOM 1279 O GLY A 77 -0.678 10.782 2.287 1.00 54.23 O ATOM 0 H GLY A 77 0.939 8.737 5.172 1.00 55.31 H new ATOM 0 HA2 GLY A 77 -0.155 11.018 4.944 1.00 34.43 H new ATOM 0 HA3 GLY A 77 1.273 11.458 4.028 1.00 34.43 H new ATOM 1283 N GLY A 78 0.194 8.767 2.768 1.00 44.32 N ATOM 1284 CA GLY A 78 -0.396 8.126 1.591 1.00 65.42 C ATOM 1285 C GLY A 78 0.640 7.692 0.554 1.00 61.32 C ATOM 1286 O GLY A 78 1.819 8.044 0.659 1.00 31.32 O ATOM 0 H GLY A 78 0.760 8.149 3.349 1.00 44.32 H new ATOM 0 HA2 GLY A 78 -0.968 7.254 1.909 1.00 65.42 H new ATOM 0 HA3 GLY A 78 -1.099 8.816 1.125 1.00 65.42 H new ATOM 1290 N LEU A 79 0.197 6.935 -0.454 1.00 43.54 N ATOM 1291 CA LEU A 79 1.092 6.413 -1.502 1.00 13.22 C ATOM 1292 C LEU A 79 1.937 7.522 -2.157 1.00 3.21 C ATOM 1293 O LEU A 79 3.168 7.446 -2.180 1.00 15.42 O ATOM 1294 CB LEU A 79 0.280 5.673 -2.580 1.00 54.03 C ATOM 1295 CG LEU A 79 1.105 5.091 -3.746 1.00 42.14 C ATOM 1296 CD1 LEU A 79 2.130 4.080 -3.239 1.00 14.04 C ATOM 1297 CD2 LEU A 79 0.194 4.451 -4.793 1.00 43.32 C ATOM 0 H LEU A 79 -0.780 6.667 -0.570 1.00 43.54 H new ATOM 0 HA LEU A 79 1.778 5.719 -1.017 1.00 13.22 H new ATOM 0 HB2 LEU A 79 -0.268 4.860 -2.104 1.00 54.03 H new ATOM 0 HB3 LEU A 79 -0.461 6.360 -2.989 1.00 54.03 H new ATOM 0 HG LEU A 79 1.642 5.914 -4.217 1.00 42.14 H new ATOM 0 HD11 LEU A 79 2.698 3.685 -4.081 1.00 14.04 H new ATOM 0 HD12 LEU A 79 2.809 4.569 -2.541 1.00 14.04 H new ATOM 0 HD13 LEU A 79 1.616 3.263 -2.733 1.00 14.04 H new ATOM 0 HD21 LEU A 79 0.800 4.048 -5.605 1.00 43.32 H new ATOM 0 HD22 LEU A 79 -0.379 3.646 -4.333 1.00 43.32 H new ATOM 0 HD23 LEU A 79 -0.489 5.202 -5.189 1.00 43.32 H new ATOM 1309 N VAL A 80 1.269 8.548 -2.689 1.00 40.25 N ATOM 1310 CA VAL A 80 1.959 9.654 -3.370 1.00 75.21 C ATOM 1311 C VAL A 80 2.988 10.339 -2.454 1.00 4.50 C ATOM 1312 O VAL A 80 4.087 10.673 -2.891 1.00 50.11 O ATOM 1313 CB VAL A 80 0.957 10.711 -3.894 1.00 41.23 C ATOM 1314 CG1 VAL A 80 1.689 11.873 -4.564 1.00 31.45 C ATOM 1315 CG2 VAL A 80 -0.036 10.071 -4.862 1.00 11.11 C ATOM 0 H VAL A 80 0.253 8.639 -2.663 1.00 40.25 H new ATOM 0 HA VAL A 80 2.485 9.212 -4.216 1.00 75.21 H new ATOM 0 HB VAL A 80 0.404 11.107 -3.042 1.00 41.23 H new ATOM 0 HG11 VAL A 80 0.963 12.602 -4.924 1.00 31.45 H new ATOM 0 HG12 VAL A 80 2.354 12.349 -3.843 1.00 31.45 H new ATOM 0 HG13 VAL A 80 2.274 11.499 -5.404 1.00 31.45 H new ATOM 0 HG21 VAL A 80 -0.733 10.828 -5.221 1.00 11.11 H new ATOM 0 HG22 VAL A 80 0.504 9.644 -5.708 1.00 11.11 H new ATOM 0 HG23 VAL A 80 -0.588 9.283 -4.349 1.00 11.11 H new ATOM 1325 N GLU A 81 2.628 10.536 -1.185 1.00 63.10 N ATOM 1326 CA GLU A 81 3.552 11.120 -0.202 1.00 4.11 C ATOM 1327 C GLU A 81 4.843 10.287 -0.110 1.00 33.23 C ATOM 1328 O GLU A 81 5.951 10.814 -0.225 1.00 12.20 O ATOM 1329 CB GLU A 81 2.886 11.195 1.181 1.00 72.33 C ATOM 1330 CG GLU A 81 3.749 11.855 2.257 1.00 72.15 C ATOM 1331 CD GLU A 81 3.870 13.362 2.086 1.00 60.13 C ATOM 1332 OE1 GLU A 81 2.921 14.083 2.456 1.00 22.44 O ATOM 1333 OE2 GLU A 81 4.910 13.836 1.591 1.00 12.34 O ATOM 0 H GLU A 81 1.708 10.302 -0.811 1.00 63.10 H new ATOM 0 HA GLU A 81 3.805 12.128 -0.532 1.00 4.11 H new ATOM 0 HB2 GLU A 81 1.951 11.747 1.092 1.00 72.33 H new ATOM 0 HB3 GLU A 81 2.631 10.186 1.504 1.00 72.33 H new ATOM 0 HG2 GLU A 81 3.324 11.640 3.237 1.00 72.15 H new ATOM 0 HG3 GLU A 81 4.745 11.412 2.237 1.00 72.15 H new ATOM 1340 N VAL A 82 4.683 8.979 0.078 1.00 71.33 N ATOM 1341 CA VAL A 82 5.821 8.057 0.153 1.00 31.23 C ATOM 1342 C VAL A 82 6.660 8.093 -1.137 1.00 14.31 C ATOM 1343 O VAL A 82 7.891 8.010 -1.097 1.00 33.22 O ATOM 1344 CB VAL A 82 5.339 6.608 0.429 1.00 50.54 C ATOM 1345 CG1 VAL A 82 6.509 5.626 0.455 1.00 4.14 C ATOM 1346 CG2 VAL A 82 4.553 6.544 1.739 1.00 65.30 C ATOM 0 H VAL A 82 3.773 8.529 0.182 1.00 71.33 H new ATOM 0 HA VAL A 82 6.451 8.385 0.980 1.00 31.23 H new ATOM 0 HB VAL A 82 4.679 6.316 -0.388 1.00 50.54 H new ATOM 0 HG11 VAL A 82 6.136 4.621 0.651 1.00 4.14 H new ATOM 0 HG12 VAL A 82 7.019 5.643 -0.508 1.00 4.14 H new ATOM 0 HG13 VAL A 82 7.208 5.913 1.241 1.00 4.14 H new ATOM 0 HG21 VAL A 82 4.223 5.520 1.916 1.00 65.30 H new ATOM 0 HG22 VAL A 82 5.191 6.867 2.562 1.00 65.30 H new ATOM 0 HG23 VAL A 82 3.684 7.199 1.674 1.00 65.30 H new ATOM 1356 N ILE A 83 5.983 8.231 -2.275 1.00 42.34 N ATOM 1357 CA ILE A 83 6.651 8.349 -3.575 1.00 32.01 C ATOM 1358 C ILE A 83 7.472 9.652 -3.673 1.00 62.22 C ATOM 1359 O ILE A 83 8.631 9.638 -4.089 1.00 11.13 O ATOM 1360 CB ILE A 83 5.617 8.293 -4.731 1.00 74.11 C ATOM 1361 CG1 ILE A 83 4.895 6.934 -4.740 1.00 51.43 C ATOM 1362 CG2 ILE A 83 6.286 8.554 -6.078 1.00 51.33 C ATOM 1363 CD1 ILE A 83 3.811 6.827 -5.793 1.00 52.54 C ATOM 0 H ILE A 83 4.965 8.264 -2.326 1.00 42.34 H new ATOM 0 HA ILE A 83 7.335 7.505 -3.666 1.00 32.01 H new ATOM 0 HB ILE A 83 4.879 9.078 -4.564 1.00 74.11 H new ATOM 0 HG12 ILE A 83 5.628 6.144 -4.904 1.00 51.43 H new ATOM 0 HG13 ILE A 83 4.454 6.760 -3.758 1.00 51.43 H new ATOM 0 HG21 ILE A 83 5.539 8.509 -6.870 1.00 51.33 H new ATOM 0 HG22 ILE A 83 6.747 9.542 -6.070 1.00 51.33 H new ATOM 0 HG23 ILE A 83 7.051 7.798 -6.257 1.00 51.33 H new ATOM 0 HD11 ILE A 83 3.347 5.842 -5.739 1.00 52.54 H new ATOM 0 HD12 ILE A 83 3.056 7.594 -5.618 1.00 52.54 H new ATOM 0 HD13 ILE A 83 4.249 6.968 -6.781 1.00 52.54 H new ATOM 1375 N ASN A 84 6.870 10.772 -3.279 1.00 34.12 N ATOM 1376 CA ASN A 84 7.551 12.074 -3.313 1.00 62.42 C ATOM 1377 C ASN A 84 8.730 12.135 -2.328 1.00 14.20 C ATOM 1378 O ASN A 84 9.719 12.827 -2.575 1.00 21.40 O ATOM 1379 CB ASN A 84 6.562 13.203 -2.999 1.00 73.31 C ATOM 1380 CG ASN A 84 5.518 13.392 -4.086 1.00 33.41 C ATOM 1381 OD1 ASN A 84 5.770 13.139 -5.257 1.00 4.40 O ATOM 1382 ND2 ASN A 84 4.344 13.852 -3.708 1.00 40.12 N ATOM 0 H ASN A 84 5.912 10.809 -2.932 1.00 34.12 H new ATOM 0 HA ASN A 84 7.947 12.202 -4.320 1.00 62.42 H new ATOM 0 HB2 ASN A 84 6.062 12.989 -2.055 1.00 73.31 H new ATOM 0 HB3 ASN A 84 7.112 14.134 -2.864 1.00 73.31 H new ATOM 0 HD21 ASN A 84 3.611 14.008 -4.400 1.00 40.12 H new ATOM 0 HD22 ASN A 84 4.168 14.052 -2.724 1.00 40.12 H new ATOM 1389 N LYS A 85 8.616 11.415 -1.212 1.00 70.10 N ATOM 1390 CA LYS A 85 9.662 11.414 -0.176 1.00 74.03 C ATOM 1391 C LYS A 85 10.696 10.287 -0.385 1.00 61.44 C ATOM 1392 O LYS A 85 11.755 10.291 0.243 1.00 51.51 O ATOM 1393 CB LYS A 85 9.021 11.282 1.211 1.00 3.00 C ATOM 1394 CG LYS A 85 8.023 12.388 1.539 1.00 30.55 C ATOM 1395 CD LYS A 85 7.473 12.269 2.958 1.00 65.42 C ATOM 1396 CE LYS A 85 8.554 12.478 4.009 1.00 73.14 C ATOM 1397 NZ LYS A 85 7.996 12.484 5.388 1.00 11.14 N ATOM 0 H LYS A 85 7.813 10.824 -0.998 1.00 70.10 H new ATOM 0 HA LYS A 85 10.195 12.362 -0.252 1.00 74.03 H new ATOM 0 HB2 LYS A 85 8.515 10.319 1.276 1.00 3.00 H new ATOM 0 HB3 LYS A 85 9.808 11.281 1.965 1.00 3.00 H new ATOM 0 HG2 LYS A 85 8.506 13.358 1.419 1.00 30.55 H new ATOM 0 HG3 LYS A 85 7.198 12.353 0.828 1.00 30.55 H new ATOM 0 HD2 LYS A 85 6.681 13.003 3.102 1.00 65.42 H new ATOM 0 HD3 LYS A 85 7.024 11.285 3.091 1.00 65.42 H new ATOM 0 HE2 LYS A 85 9.301 11.688 3.923 1.00 73.14 H new ATOM 0 HE3 LYS A 85 9.065 13.422 3.821 1.00 73.14 H new ATOM 0 HZ1 LYS A 85 8.765 12.629 6.073 1.00 11.14 H new ATOM 0 HZ2 LYS A 85 7.302 13.253 5.478 1.00 11.14 H new ATOM 0 HZ3 LYS A 85 7.530 11.574 5.578 1.00 11.14 H new ATOM 1411 N LYS A 86 10.368 9.318 -1.253 1.00 51.35 N ATOM 1412 CA LYS A 86 11.273 8.193 -1.588 1.00 64.02 C ATOM 1413 C LYS A 86 11.604 7.301 -0.372 1.00 3.12 C ATOM 1414 O LYS A 86 12.441 6.402 -0.472 1.00 61.15 O ATOM 1415 CB LYS A 86 12.595 8.699 -2.211 1.00 20.33 C ATOM 1416 CG LYS A 86 12.481 9.266 -3.629 1.00 25.45 C ATOM 1417 CD LYS A 86 11.697 10.574 -3.671 1.00 51.13 C ATOM 1418 CE LYS A 86 11.781 11.247 -5.036 1.00 12.03 C ATOM 1419 NZ LYS A 86 13.164 11.701 -5.348 1.00 60.42 N ATOM 0 H LYS A 86 9.474 9.286 -1.744 1.00 51.35 H new ATOM 0 HA LYS A 86 10.728 7.589 -2.314 1.00 64.02 H new ATOM 0 HB2 LYS A 86 13.010 9.470 -1.562 1.00 20.33 H new ATOM 0 HB3 LYS A 86 13.309 7.875 -2.224 1.00 20.33 H new ATOM 0 HG2 LYS A 86 13.480 9.431 -4.033 1.00 25.45 H new ATOM 0 HG3 LYS A 86 11.994 8.533 -4.272 1.00 25.45 H new ATOM 0 HD2 LYS A 86 10.653 10.379 -3.427 1.00 51.13 H new ATOM 0 HD3 LYS A 86 12.081 11.252 -2.909 1.00 51.13 H new ATOM 0 HE2 LYS A 86 11.445 10.551 -5.805 1.00 12.03 H new ATOM 0 HE3 LYS A 86 11.104 12.101 -5.062 1.00 12.03 H new ATOM 0 HZ1 LYS A 86 13.137 12.379 -6.136 1.00 60.42 H new ATOM 0 HZ2 LYS A 86 13.576 12.160 -4.511 1.00 60.42 H new ATOM 0 HZ3 LYS A 86 13.746 10.882 -5.615 1.00 60.42 H new ATOM 1433 N LEU A 87 10.924 7.508 0.756 1.00 32.10 N ATOM 1434 CA LEU A 87 11.304 6.841 2.018 1.00 14.22 C ATOM 1435 C LEU A 87 10.823 5.371 2.088 1.00 43.53 C ATOM 1436 O LEU A 87 10.561 4.845 3.170 1.00 43.33 O ATOM 1437 CB LEU A 87 10.796 7.652 3.238 1.00 70.40 C ATOM 1438 CG LEU A 87 9.310 7.490 3.625 1.00 3.44 C ATOM 1439 CD1 LEU A 87 8.961 8.394 4.806 1.00 34.13 C ATOM 1440 CD2 LEU A 87 8.393 7.779 2.448 1.00 20.32 C ATOM 0 H LEU A 87 10.114 8.124 0.830 1.00 32.10 H new ATOM 0 HA LEU A 87 12.393 6.810 2.045 1.00 14.22 H new ATOM 0 HB2 LEU A 87 11.402 7.378 4.102 1.00 70.40 H new ATOM 0 HB3 LEU A 87 10.981 8.708 3.042 1.00 70.40 H new ATOM 0 HG LEU A 87 9.157 6.452 3.920 1.00 3.44 H new ATOM 0 HD11 LEU A 87 7.910 8.266 5.064 1.00 34.13 H new ATOM 0 HD12 LEU A 87 9.580 8.128 5.663 1.00 34.13 H new ATOM 0 HD13 LEU A 87 9.144 9.434 4.535 1.00 34.13 H new ATOM 0 HD21 LEU A 87 7.355 7.655 2.757 1.00 20.32 H new ATOM 0 HD22 LEU A 87 8.551 8.802 2.107 1.00 20.32 H new ATOM 0 HD23 LEU A 87 8.615 7.087 1.635 1.00 20.32 H new ATOM 1452 N TRP A 88 10.761 4.693 0.937 1.00 33.13 N ATOM 1453 CA TRP A 88 10.395 3.266 0.898 1.00 23.35 C ATOM 1454 C TRP A 88 11.356 2.410 1.742 1.00 74.05 C ATOM 1455 O TRP A 88 10.988 1.331 2.207 1.00 53.12 O ATOM 1456 CB TRP A 88 10.359 2.747 -0.550 1.00 61.53 C ATOM 1457 CG TRP A 88 9.147 3.191 -1.324 1.00 54.32 C ATOM 1458 CD1 TRP A 88 9.071 4.219 -2.220 1.00 3.23 C ATOM 1459 CD2 TRP A 88 7.835 2.618 -1.259 1.00 31.22 C ATOM 1460 NE1 TRP A 88 7.796 4.312 -2.723 1.00 11.35 N ATOM 1461 CE2 TRP A 88 7.017 3.346 -2.143 1.00 51.14 C ATOM 1462 CE3 TRP A 88 7.272 1.558 -0.540 1.00 10.24 C ATOM 1463 CZ2 TRP A 88 5.669 3.051 -2.325 1.00 40.31 C ATOM 1464 CZ3 TRP A 88 5.934 1.268 -0.719 1.00 31.32 C ATOM 1465 CH2 TRP A 88 5.144 2.013 -1.605 1.00 51.43 C ATOM 0 H TRP A 88 10.957 5.103 0.024 1.00 33.13 H new ATOM 0 HA TRP A 88 9.397 3.178 1.328 1.00 23.35 H new ATOM 0 HB2 TRP A 88 11.255 3.086 -1.070 1.00 61.53 H new ATOM 0 HB3 TRP A 88 10.391 1.658 -0.537 1.00 61.53 H new ATOM 0 HD1 TRP A 88 9.893 4.864 -2.493 1.00 3.23 H new ATOM 0 HE1 TRP A 88 7.480 4.991 -3.416 1.00 11.35 H new ATOM 0 HE3 TRP A 88 7.874 0.977 0.143 1.00 10.24 H new ATOM 0 HZ2 TRP A 88 5.059 3.621 -3.010 1.00 40.31 H new ATOM 0 HZ3 TRP A 88 5.489 0.453 -0.167 1.00 31.32 H new ATOM 0 HH2 TRP A 88 4.100 1.763 -1.722 1.00 51.43 H new ATOM 1476 N ARG A 89 12.582 2.902 1.941 1.00 24.14 N ATOM 1477 CA ARG A 89 13.558 2.235 2.817 1.00 51.31 C ATOM 1478 C ARG A 89 13.020 2.118 4.255 1.00 62.22 C ATOM 1479 O ARG A 89 13.338 1.173 4.978 1.00 23.14 O ATOM 1480 CB ARG A 89 14.887 3.007 2.822 1.00 13.14 C ATOM 1481 CG ARG A 89 14.793 4.392 3.461 1.00 22.12 C ATOM 1482 CD ARG A 89 16.145 5.094 3.529 1.00 22.41 C ATOM 1483 NE ARG A 89 16.070 6.334 4.299 1.00 34.10 N ATOM 1484 CZ ARG A 89 16.831 7.377 4.100 1.00 75.43 C ATOM 1485 NH1 ARG A 89 17.753 7.361 3.188 1.00 23.53 N ATOM 1486 NH2 ARG A 89 16.676 8.434 4.832 1.00 0.21 N ATOM 0 H ARG A 89 12.925 3.760 1.509 1.00 24.14 H new ATOM 0 HA ARG A 89 13.727 1.231 2.427 1.00 51.31 H new ATOM 0 HB2 ARG A 89 15.635 2.421 3.356 1.00 13.14 H new ATOM 0 HB3 ARG A 89 15.238 3.114 1.796 1.00 13.14 H new ATOM 0 HG2 ARG A 89 14.096 5.006 2.890 1.00 22.12 H new ATOM 0 HG3 ARG A 89 14.385 4.298 4.467 1.00 22.12 H new ATOM 0 HD2 ARG A 89 16.879 4.428 3.982 1.00 22.41 H new ATOM 0 HD3 ARG A 89 16.493 5.313 2.519 1.00 22.41 H new ATOM 0 HE ARG A 89 15.375 6.389 5.044 1.00 34.10 H new ATOM 0 HH11 ARG A 89 17.890 6.528 2.616 1.00 23.53 H new ATOM 0 HH12 ARG A 89 18.341 8.182 3.042 1.00 23.53 H new ATOM 0 HH21 ARG A 89 15.962 8.450 5.560 1.00 0.21 H new ATOM 0 HH22 ARG A 89 17.268 9.251 4.680 1.00 0.21 H new ATOM 1500 N GLU A 90 12.211 3.100 4.660 1.00 71.10 N ATOM 1501 CA GLU A 90 11.564 3.090 5.976 1.00 63.44 C ATOM 1502 C GLU A 90 10.428 2.061 6.011 1.00 32.41 C ATOM 1503 O GLU A 90 10.151 1.448 7.044 1.00 23.42 O ATOM 1504 CB GLU A 90 11.001 4.485 6.304 1.00 14.14 C ATOM 1505 CG GLU A 90 12.021 5.616 6.202 1.00 41.23 C ATOM 1506 CD GLU A 90 13.205 5.439 7.138 1.00 23.02 C ATOM 1507 OE1 GLU A 90 12.992 5.367 8.366 1.00 12.25 O ATOM 1508 OE2 GLU A 90 14.356 5.376 6.652 1.00 73.32 O ATOM 0 H GLU A 90 11.987 3.917 4.092 1.00 71.10 H new ATOM 0 HA GLU A 90 12.313 2.818 6.720 1.00 63.44 H new ATOM 0 HB2 GLU A 90 10.172 4.697 5.628 1.00 14.14 H new ATOM 0 HB3 GLU A 90 10.593 4.470 7.314 1.00 14.14 H new ATOM 0 HG2 GLU A 90 12.383 5.679 5.176 1.00 41.23 H new ATOM 0 HG3 GLU A 90 11.528 6.562 6.424 1.00 41.23 H new ATOM 1515 N ILE A 91 9.768 1.884 4.865 1.00 63.23 N ATOM 1516 CA ILE A 91 8.655 0.939 4.742 1.00 14.52 C ATOM 1517 C ILE A 91 9.148 -0.512 4.857 1.00 43.34 C ATOM 1518 O ILE A 91 8.659 -1.278 5.689 1.00 31.31 O ATOM 1519 CB ILE A 91 7.903 1.126 3.396 1.00 51.12 C ATOM 1520 CG1 ILE A 91 7.487 2.597 3.204 1.00 31.42 C ATOM 1521 CG2 ILE A 91 6.682 0.208 3.323 1.00 72.23 C ATOM 1522 CD1 ILE A 91 6.597 3.139 4.306 1.00 72.41 C ATOM 0 H ILE A 91 9.986 2.385 4.004 1.00 63.23 H new ATOM 0 HA ILE A 91 7.966 1.146 5.561 1.00 14.52 H new ATOM 0 HB ILE A 91 8.583 0.854 2.588 1.00 51.12 H new ATOM 0 HG12 ILE A 91 8.385 3.212 3.142 1.00 31.42 H new ATOM 0 HG13 ILE A 91 6.967 2.695 2.251 1.00 31.42 H new ATOM 0 HG21 ILE A 91 6.171 0.357 2.372 1.00 72.23 H new ATOM 0 HG22 ILE A 91 7.002 -0.831 3.404 1.00 72.23 H new ATOM 0 HG23 ILE A 91 6.001 0.443 4.141 1.00 72.23 H new ATOM 0 HD11 ILE A 91 6.350 4.179 4.095 1.00 72.41 H new ATOM 0 HD12 ILE A 91 5.680 2.551 4.356 1.00 72.41 H new ATOM 0 HD13 ILE A 91 7.120 3.076 5.260 1.00 72.41 H new ATOM 1534 N THR A 92 10.129 -0.878 4.029 1.00 54.22 N ATOM 1535 CA THR A 92 10.740 -2.217 4.090 1.00 75.54 C ATOM 1536 C THR A 92 11.270 -2.520 5.492 1.00 41.13 C ATOM 1537 O THR A 92 11.002 -3.583 6.054 1.00 33.03 O ATOM 1538 CB THR A 92 11.911 -2.370 3.088 1.00 52.03 C ATOM 1539 OG1 THR A 92 12.824 -1.271 3.226 1.00 72.40 O ATOM 1540 CG2 THR A 92 11.407 -2.449 1.651 1.00 75.34 C ATOM 0 H THR A 92 10.520 -0.271 3.308 1.00 54.22 H new ATOM 0 HA THR A 92 9.950 -2.920 3.828 1.00 75.54 H new ATOM 0 HB THR A 92 12.428 -3.302 3.317 1.00 52.03 H new ATOM 0 HG1 THR A 92 13.562 -1.377 2.590 1.00 72.40 H new ATOM 0 HG21 THR A 92 12.254 -2.556 0.974 1.00 75.34 H new ATOM 0 HG22 THR A 92 10.746 -3.309 1.544 1.00 75.34 H new ATOM 0 HG23 THR A 92 10.860 -1.538 1.407 1.00 75.34 H new ATOM 1548 N LYS A 93 12.020 -1.575 6.052 1.00 32.02 N ATOM 1549 CA LYS A 93 12.571 -1.722 7.402 1.00 71.34 C ATOM 1550 C LYS A 93 11.454 -1.929 8.439 1.00 1.54 C ATOM 1551 O LYS A 93 11.575 -2.764 9.339 1.00 2.22 O ATOM 1552 CB LYS A 93 13.413 -0.489 7.771 1.00 74.23 C ATOM 1553 CG LYS A 93 14.304 -0.698 8.992 1.00 72.03 C ATOM 1554 CD LYS A 93 15.319 -1.814 8.749 1.00 64.44 C ATOM 1555 CE LYS A 93 16.241 -2.022 9.942 1.00 3.13 C ATOM 1556 NZ LYS A 93 16.985 -0.784 10.288 1.00 2.21 N ATOM 0 H LYS A 93 12.262 -0.697 5.593 1.00 32.02 H new ATOM 0 HA LYS A 93 13.210 -2.605 7.410 1.00 71.34 H new ATOM 0 HB2 LYS A 93 14.037 -0.218 6.919 1.00 74.23 H new ATOM 0 HB3 LYS A 93 12.746 0.353 7.959 1.00 74.23 H new ATOM 0 HG2 LYS A 93 14.827 0.229 9.227 1.00 72.03 H new ATOM 0 HG3 LYS A 93 13.688 -0.944 9.857 1.00 72.03 H new ATOM 0 HD2 LYS A 93 14.791 -2.743 8.534 1.00 64.44 H new ATOM 0 HD3 LYS A 93 15.915 -1.575 7.868 1.00 64.44 H new ATOM 0 HE2 LYS A 93 15.655 -2.346 10.802 1.00 3.13 H new ATOM 0 HE3 LYS A 93 16.948 -2.821 9.719 1.00 3.13 H new ATOM 0 HZ1 LYS A 93 17.764 -1.017 10.937 1.00 2.21 H new ATOM 0 HZ2 LYS A 93 17.372 -0.358 9.422 1.00 2.21 H new ATOM 0 HZ3 LYS A 93 16.341 -0.109 10.748 1.00 2.21 H new ATOM 1570 N GLY A 94 10.363 -1.174 8.297 1.00 2.32 N ATOM 1571 CA GLY A 94 9.212 -1.337 9.180 1.00 3.31 C ATOM 1572 C GLY A 94 8.573 -2.720 9.073 1.00 11.55 C ATOM 1573 O GLY A 94 8.013 -3.232 10.045 1.00 33.30 O ATOM 0 H GLY A 94 10.254 -0.451 7.586 1.00 2.32 H new ATOM 0 HA2 GLY A 94 9.523 -1.165 10.210 1.00 3.31 H new ATOM 0 HA3 GLY A 94 8.467 -0.578 8.941 1.00 3.31 H new ATOM 1577 N LEU A 95 8.672 -3.331 7.890 1.00 52.05 N ATOM 1578 CA LEU A 95 8.141 -4.678 7.658 1.00 43.32 C ATOM 1579 C LEU A 95 9.191 -5.754 7.996 1.00 34.35 C ATOM 1580 O LEU A 95 8.976 -6.940 7.749 1.00 13.12 O ATOM 1581 CB LEU A 95 7.697 -4.823 6.193 1.00 74.12 C ATOM 1582 CG LEU A 95 6.728 -3.743 5.683 1.00 14.05 C ATOM 1583 CD1 LEU A 95 6.329 -4.014 4.236 1.00 41.42 C ATOM 1584 CD2 LEU A 95 5.497 -3.650 6.578 1.00 34.33 C ATOM 0 H LEU A 95 9.117 -2.912 7.073 1.00 52.05 H new ATOM 0 HA LEU A 95 7.282 -4.822 8.313 1.00 43.32 H new ATOM 0 HB2 LEU A 95 8.585 -4.817 5.561 1.00 74.12 H new ATOM 0 HB3 LEU A 95 7.224 -5.797 6.070 1.00 74.12 H new ATOM 0 HG LEU A 95 7.243 -2.783 5.718 1.00 14.05 H new ATOM 0 HD11 LEU A 95 5.643 -3.238 3.896 1.00 41.42 H new ATOM 0 HD12 LEU A 95 7.219 -4.013 3.607 1.00 41.42 H new ATOM 0 HD13 LEU A 95 5.839 -4.985 4.170 1.00 41.42 H new ATOM 0 HD21 LEU A 95 4.827 -2.879 6.196 1.00 34.33 H new ATOM 0 HD22 LEU A 95 4.979 -4.609 6.586 1.00 34.33 H new ATOM 0 HD23 LEU A 95 5.803 -3.395 7.592 1.00 34.33 H new ATOM 1596 N ASN A 96 10.329 -5.321 8.556 1.00 74.11 N ATOM 1597 CA ASN A 96 11.426 -6.226 8.942 1.00 3.21 C ATOM 1598 C ASN A 96 12.071 -6.885 7.703 1.00 12.15 C ATOM 1599 O ASN A 96 12.713 -7.934 7.791 1.00 44.45 O ATOM 1600 CB ASN A 96 10.908 -7.282 9.937 1.00 14.13 C ATOM 1601 CG ASN A 96 12.024 -8.016 10.661 1.00 40.25 C ATOM 1602 OD1 ASN A 96 12.480 -9.068 10.232 1.00 44.02 O ATOM 1603 ND2 ASN A 96 12.470 -7.468 11.773 1.00 44.43 N ATOM 0 H ASN A 96 10.517 -4.338 8.754 1.00 74.11 H new ATOM 0 HA ASN A 96 12.204 -5.642 9.433 1.00 3.21 H new ATOM 0 HB2 ASN A 96 10.265 -6.797 10.671 1.00 14.13 H new ATOM 0 HB3 ASN A 96 10.292 -8.005 9.402 1.00 14.13 H new ATOM 0 HD21 ASN A 96 13.215 -7.921 12.302 1.00 44.43 H new ATOM 0 HD22 ASN A 96 12.070 -6.591 12.105 1.00 44.43 H new ATOM 1610 N LEU A 97 11.921 -6.237 6.550 1.00 74.54 N ATOM 1611 CA LEU A 97 12.484 -6.739 5.290 1.00 63.42 C ATOM 1612 C LEU A 97 13.938 -6.266 5.100 1.00 64.54 C ATOM 1613 O LEU A 97 14.330 -5.214 5.607 1.00 72.14 O ATOM 1614 CB LEU A 97 11.628 -6.274 4.100 1.00 24.42 C ATOM 1615 CG LEU A 97 10.134 -6.624 4.183 1.00 63.11 C ATOM 1616 CD1 LEU A 97 9.403 -6.205 2.909 1.00 61.35 C ATOM 1617 CD2 LEU A 97 9.937 -8.114 4.459 1.00 55.33 C ATOM 0 H LEU A 97 11.412 -5.358 6.458 1.00 74.54 H new ATOM 0 HA LEU A 97 12.480 -7.828 5.335 1.00 63.42 H new ATOM 0 HB2 LEU A 97 11.725 -5.192 4.006 1.00 24.42 H new ATOM 0 HB3 LEU A 97 12.036 -6.711 3.189 1.00 24.42 H new ATOM 0 HG LEU A 97 9.705 -6.067 5.016 1.00 63.11 H new ATOM 0 HD11 LEU A 97 8.348 -6.464 2.993 1.00 61.35 H new ATOM 0 HD12 LEU A 97 9.503 -5.129 2.770 1.00 61.35 H new ATOM 0 HD13 LEU A 97 9.836 -6.723 2.054 1.00 61.35 H new ATOM 0 HD21 LEU A 97 8.871 -8.336 4.513 1.00 55.33 H new ATOM 0 HD22 LEU A 97 10.389 -8.696 3.655 1.00 55.33 H new ATOM 0 HD23 LEU A 97 10.410 -8.374 5.406 1.00 55.33 H new ATOM 1629 N PRO A 98 14.754 -7.040 4.354 1.00 22.13 N ATOM 1630 CA PRO A 98 16.156 -6.678 4.088 1.00 61.54 C ATOM 1631 C PRO A 98 16.284 -5.471 3.139 1.00 41.44 C ATOM 1632 O PRO A 98 15.723 -5.460 2.042 1.00 55.04 O ATOM 1633 CB PRO A 98 16.733 -7.948 3.445 1.00 10.34 C ATOM 1634 CG PRO A 98 15.558 -8.642 2.841 1.00 20.33 C ATOM 1635 CD PRO A 98 14.377 -8.319 3.720 1.00 61.21 C ATOM 0 HA PRO A 98 16.679 -6.371 4.994 1.00 61.54 H new ATOM 0 HB2 PRO A 98 17.479 -7.704 2.689 1.00 10.34 H new ATOM 0 HB3 PRO A 98 17.225 -8.577 4.186 1.00 10.34 H new ATOM 0 HG2 PRO A 98 15.388 -8.300 1.820 1.00 20.33 H new ATOM 0 HG3 PRO A 98 15.724 -9.718 2.794 1.00 20.33 H new ATOM 0 HD2 PRO A 98 13.460 -8.223 3.139 1.00 61.21 H new ATOM 0 HD3 PRO A 98 14.205 -9.099 4.462 1.00 61.21 H new ATOM 1643 N THR A 99 17.056 -4.466 3.548 1.00 54.25 N ATOM 1644 CA THR A 99 17.168 -3.208 2.788 1.00 53.23 C ATOM 1645 C THR A 99 18.037 -3.350 1.518 1.00 14.52 C ATOM 1646 O THR A 99 18.372 -2.358 0.871 1.00 65.40 O ATOM 1647 CB THR A 99 17.735 -2.067 3.677 1.00 0.32 C ATOM 1648 OG1 THR A 99 17.706 -0.810 2.977 1.00 13.32 O ATOM 1649 CG2 THR A 99 19.165 -2.366 4.121 1.00 42.24 C ATOM 0 H THR A 99 17.616 -4.492 4.400 1.00 54.25 H new ATOM 0 HA THR A 99 16.156 -2.957 2.472 1.00 53.23 H new ATOM 0 HB THR A 99 17.100 -2.002 4.561 1.00 0.32 H new ATOM 0 HG1 THR A 99 17.897 -0.960 2.028 1.00 13.32 H new ATOM 0 HG21 THR A 99 19.532 -1.548 4.741 1.00 42.24 H new ATOM 0 HG22 THR A 99 19.182 -3.292 4.695 1.00 42.24 H new ATOM 0 HG23 THR A 99 19.804 -2.471 3.244 1.00 42.24 H new ATOM 1657 N SER A 100 18.382 -4.586 1.148 1.00 73.10 N ATOM 1658 CA SER A 100 19.197 -4.841 -0.058 1.00 1.11 C ATOM 1659 C SER A 100 18.347 -5.350 -1.236 1.00 65.33 C ATOM 1660 O SER A 100 18.886 -5.772 -2.262 1.00 3.21 O ATOM 1661 CB SER A 100 20.307 -5.860 0.249 1.00 63.15 C ATOM 1662 OG SER A 100 21.108 -6.124 -0.898 1.00 32.51 O ATOM 0 H SER A 100 18.114 -5.427 1.659 1.00 73.10 H new ATOM 0 HA SER A 100 19.640 -3.889 -0.349 1.00 1.11 H new ATOM 0 HB2 SER A 100 20.937 -5.481 1.054 1.00 63.15 H new ATOM 0 HB3 SER A 100 19.861 -6.789 0.604 1.00 63.15 H new ATOM 0 HG SER A 100 20.585 -5.952 -1.709 1.00 32.51 H new ATOM 1668 N ILE A 101 17.022 -5.314 -1.096 1.00 42.11 N ATOM 1669 CA ILE A 101 16.129 -5.760 -2.175 1.00 61.32 C ATOM 1670 C ILE A 101 16.107 -4.750 -3.339 1.00 1.42 C ATOM 1671 O ILE A 101 15.660 -3.610 -3.185 1.00 24.11 O ATOM 1672 CB ILE A 101 14.680 -5.990 -1.668 1.00 51.41 C ATOM 1673 CG1 ILE A 101 14.667 -7.006 -0.513 1.00 62.43 C ATOM 1674 CG2 ILE A 101 13.781 -6.468 -2.812 1.00 64.34 C ATOM 1675 CD1 ILE A 101 13.300 -7.211 0.109 1.00 14.31 C ATOM 0 H ILE A 101 16.543 -4.985 -0.257 1.00 42.11 H new ATOM 0 HA ILE A 101 16.527 -6.709 -2.533 1.00 61.32 H new ATOM 0 HB ILE A 101 14.291 -5.042 -1.297 1.00 51.41 H new ATOM 0 HG12 ILE A 101 15.036 -7.964 -0.880 1.00 62.43 H new ATOM 0 HG13 ILE A 101 15.360 -6.673 0.259 1.00 62.43 H new ATOM 0 HG21 ILE A 101 12.769 -6.624 -2.439 1.00 64.34 H new ATOM 0 HG22 ILE A 101 13.765 -5.716 -3.601 1.00 64.34 H new ATOM 0 HG23 ILE A 101 14.169 -7.405 -3.212 1.00 64.34 H new ATOM 0 HD11 ILE A 101 13.373 -7.941 0.915 1.00 14.31 H new ATOM 0 HD12 ILE A 101 12.936 -6.264 0.508 1.00 14.31 H new ATOM 0 HD13 ILE A 101 12.606 -7.576 -0.649 1.00 14.31 H new ATOM 1687 N THR A 102 16.602 -5.180 -4.501 1.00 12.45 N ATOM 1688 CA THR A 102 16.630 -4.333 -5.701 1.00 11.14 C ATOM 1689 C THR A 102 15.212 -3.993 -6.184 1.00 42.34 C ATOM 1690 O THR A 102 14.313 -4.833 -6.131 1.00 51.44 O ATOM 1691 CB THR A 102 17.397 -5.015 -6.864 1.00 62.30 C ATOM 1692 OG1 THR A 102 18.725 -5.373 -6.447 1.00 70.22 O ATOM 1693 CG2 THR A 102 17.485 -4.095 -8.078 1.00 1.11 C ATOM 0 H THR A 102 16.991 -6.113 -4.639 1.00 12.45 H new ATOM 0 HA THR A 102 17.146 -3.416 -5.416 1.00 11.14 H new ATOM 0 HB THR A 102 16.845 -5.914 -7.141 1.00 62.30 H new ATOM 0 HG1 THR A 102 19.196 -5.804 -7.190 1.00 70.22 H new ATOM 0 HG21 THR A 102 18.028 -4.599 -8.878 1.00 1.11 H new ATOM 0 HG22 THR A 102 16.480 -3.848 -8.421 1.00 1.11 H new ATOM 0 HG23 THR A 102 18.010 -3.180 -7.804 1.00 1.11 H new ATOM 1701 N SER A 103 15.018 -2.749 -6.634 1.00 32.25 N ATOM 1702 CA SER A 103 13.730 -2.276 -7.186 1.00 13.04 C ATOM 1703 C SER A 103 12.549 -2.528 -6.232 1.00 44.15 C ATOM 1704 O SER A 103 11.396 -2.598 -6.662 1.00 62.24 O ATOM 1705 CB SER A 103 13.444 -2.910 -8.566 1.00 4.54 C ATOM 1706 OG SER A 103 13.250 -4.319 -8.492 1.00 32.34 O ATOM 0 H SER A 103 15.747 -2.035 -6.629 1.00 32.25 H new ATOM 0 HA SER A 103 13.828 -1.197 -7.307 1.00 13.04 H new ATOM 0 HB2 SER A 103 12.557 -2.447 -8.997 1.00 4.54 H new ATOM 0 HB3 SER A 103 14.274 -2.696 -9.239 1.00 4.54 H new ATOM 0 HG SER A 103 13.271 -4.603 -7.554 1.00 32.34 H new ATOM 1712 N ALA A 104 12.835 -2.639 -4.936 1.00 14.31 N ATOM 1713 CA ALA A 104 11.793 -2.837 -3.924 1.00 72.01 C ATOM 1714 C ALA A 104 10.835 -1.639 -3.864 1.00 12.13 C ATOM 1715 O ALA A 104 9.616 -1.807 -3.818 1.00 63.22 O ATOM 1716 CB ALA A 104 12.418 -3.074 -2.555 1.00 21.24 C ATOM 0 H ALA A 104 13.782 -2.595 -4.559 1.00 14.31 H new ATOM 0 HA ALA A 104 11.217 -3.717 -4.211 1.00 72.01 H new ATOM 0 HB1 ALA A 104 11.630 -3.219 -1.816 1.00 21.24 H new ATOM 0 HB2 ALA A 104 13.049 -3.962 -2.592 1.00 21.24 H new ATOM 0 HB3 ALA A 104 13.022 -2.211 -2.277 1.00 21.24 H new ATOM 1722 N ALA A 105 11.403 -0.433 -3.873 1.00 3.43 N ATOM 1723 CA ALA A 105 10.618 0.808 -3.838 1.00 44.15 C ATOM 1724 C ALA A 105 9.584 0.871 -4.976 1.00 41.11 C ATOM 1725 O ALA A 105 8.480 1.390 -4.801 1.00 50.32 O ATOM 1726 CB ALA A 105 11.549 2.013 -3.905 1.00 34.42 C ATOM 0 H ALA A 105 12.412 -0.286 -3.904 1.00 3.43 H new ATOM 0 HA ALA A 105 10.067 0.824 -2.898 1.00 44.15 H new ATOM 0 HB1 ALA A 105 10.960 2.930 -3.879 1.00 34.42 H new ATOM 0 HB2 ALA A 105 12.230 1.995 -3.054 1.00 34.42 H new ATOM 0 HB3 ALA A 105 12.124 1.978 -4.830 1.00 34.42 H new ATOM 1732 N PHE A 106 9.966 0.369 -6.148 1.00 34.14 N ATOM 1733 CA PHE A 106 9.055 0.279 -7.294 1.00 24.23 C ATOM 1734 C PHE A 106 8.058 -0.885 -7.137 1.00 73.41 C ATOM 1735 O PHE A 106 6.848 -0.704 -7.274 1.00 42.53 O ATOM 1736 CB PHE A 106 9.862 0.114 -8.591 1.00 42.11 C ATOM 1737 CG PHE A 106 9.006 -0.028 -9.828 1.00 15.51 C ATOM 1738 CD1 PHE A 106 8.361 1.076 -10.373 1.00 34.31 C ATOM 1739 CD2 PHE A 106 8.844 -1.263 -10.444 1.00 34.34 C ATOM 1740 CE1 PHE A 106 7.573 0.948 -11.503 1.00 2.25 C ATOM 1741 CE2 PHE A 106 8.057 -1.394 -11.573 1.00 13.41 C ATOM 1742 CZ PHE A 106 7.422 -0.287 -12.103 1.00 12.42 C ATOM 0 H PHE A 106 10.905 0.016 -6.333 1.00 34.14 H new ATOM 0 HA PHE A 106 8.479 1.203 -7.339 1.00 24.23 H new ATOM 0 HB2 PHE A 106 10.518 0.976 -8.712 1.00 42.11 H new ATOM 0 HB3 PHE A 106 10.502 -0.764 -8.501 1.00 42.11 H new ATOM 0 HD1 PHE A 106 8.476 2.045 -9.909 1.00 34.31 H new ATOM 0 HD2 PHE A 106 9.339 -2.132 -10.036 1.00 34.34 H new ATOM 0 HE1 PHE A 106 7.076 1.813 -11.916 1.00 2.25 H new ATOM 0 HE2 PHE A 106 7.939 -2.360 -12.040 1.00 13.41 H new ATOM 0 HZ PHE A 106 6.808 -0.387 -12.986 1.00 12.42 H new ATOM 1752 N THR A 107 8.579 -2.079 -6.847 1.00 4.24 N ATOM 1753 CA THR A 107 7.754 -3.296 -6.747 1.00 1.41 C ATOM 1754 C THR A 107 6.646 -3.160 -5.691 1.00 1.31 C ATOM 1755 O THR A 107 5.469 -3.391 -5.982 1.00 64.21 O ATOM 1756 CB THR A 107 8.622 -4.538 -6.418 1.00 21.21 C ATOM 1757 OG1 THR A 107 9.648 -4.694 -7.413 1.00 22.20 O ATOM 1758 CG2 THR A 107 7.778 -5.810 -6.356 1.00 5.53 C ATOM 0 H THR A 107 9.572 -2.235 -6.676 1.00 4.24 H new ATOM 0 HA THR A 107 7.286 -3.429 -7.723 1.00 1.41 H new ATOM 0 HB THR A 107 9.074 -4.379 -5.439 1.00 21.21 H new ATOM 0 HG1 THR A 107 10.334 -4.005 -7.286 1.00 22.20 H new ATOM 0 HG21 THR A 107 8.419 -6.661 -6.123 1.00 5.53 H new ATOM 0 HG22 THR A 107 7.018 -5.705 -5.581 1.00 5.53 H new ATOM 0 HG23 THR A 107 7.294 -5.973 -7.319 1.00 5.53 H new ATOM 1766 N LEU A 108 7.023 -2.775 -4.470 1.00 31.11 N ATOM 1767 CA LEU A 108 6.051 -2.554 -3.387 1.00 23.15 C ATOM 1768 C LEU A 108 5.017 -1.496 -3.790 1.00 43.24 C ATOM 1769 O LEU A 108 3.830 -1.612 -3.484 1.00 60.23 O ATOM 1770 CB LEU A 108 6.773 -2.097 -2.113 1.00 61.14 C ATOM 1771 CG LEU A 108 7.788 -3.094 -1.531 1.00 2.03 C ATOM 1772 CD1 LEU A 108 8.551 -2.466 -0.367 1.00 23.32 C ATOM 1773 CD2 LEU A 108 7.091 -4.379 -1.091 1.00 52.30 C ATOM 0 H LEU A 108 7.993 -2.609 -4.202 1.00 31.11 H new ATOM 0 HA LEU A 108 5.537 -3.497 -3.198 1.00 23.15 H new ATOM 0 HB2 LEU A 108 7.291 -1.162 -2.326 1.00 61.14 H new ATOM 0 HB3 LEU A 108 6.025 -1.881 -1.350 1.00 61.14 H new ATOM 0 HG LEU A 108 8.505 -3.347 -2.312 1.00 2.03 H new ATOM 0 HD11 LEU A 108 9.265 -3.187 0.032 1.00 23.32 H new ATOM 0 HD12 LEU A 108 9.085 -1.582 -0.716 1.00 23.32 H new ATOM 0 HD13 LEU A 108 7.849 -2.180 0.416 1.00 23.32 H new ATOM 0 HD21 LEU A 108 7.828 -5.071 -0.682 1.00 52.30 H new ATOM 0 HD22 LEU A 108 6.348 -4.147 -0.328 1.00 52.30 H new ATOM 0 HD23 LEU A 108 6.599 -4.838 -1.948 1.00 52.30 H new ATOM 1785 N ARG A 109 5.495 -0.473 -4.488 1.00 73.25 N ATOM 1786 CA ARG A 109 4.659 0.626 -4.967 1.00 54.43 C ATOM 1787 C ARG A 109 3.579 0.127 -5.938 1.00 65.01 C ATOM 1788 O ARG A 109 2.415 0.511 -5.836 1.00 31.11 O ATOM 1789 CB ARG A 109 5.557 1.662 -5.649 1.00 60.25 C ATOM 1790 CG ARG A 109 4.870 2.960 -6.038 1.00 44.12 C ATOM 1791 CD ARG A 109 5.864 3.909 -6.694 1.00 70.34 C ATOM 1792 NE ARG A 109 7.125 3.974 -5.947 1.00 3.53 N ATOM 1793 CZ ARG A 109 8.036 4.887 -6.121 1.00 74.24 C ATOM 1794 NH1 ARG A 109 7.858 5.844 -6.970 1.00 34.35 N ATOM 1795 NH2 ARG A 109 9.132 4.843 -5.436 1.00 52.40 N ATOM 0 H ARG A 109 6.479 -0.380 -4.740 1.00 73.25 H new ATOM 0 HA ARG A 109 4.145 1.079 -4.119 1.00 54.43 H new ATOM 0 HB2 ARG A 109 6.387 1.895 -4.982 1.00 60.25 H new ATOM 0 HB3 ARG A 109 5.985 1.214 -6.546 1.00 60.25 H new ATOM 0 HG2 ARG A 109 4.048 2.753 -6.723 1.00 44.12 H new ATOM 0 HG3 ARG A 109 4.438 3.429 -5.154 1.00 44.12 H new ATOM 0 HD2 ARG A 109 6.062 3.581 -7.714 1.00 70.34 H new ATOM 0 HD3 ARG A 109 5.427 4.906 -6.759 1.00 70.34 H new ATOM 0 HE ARG A 109 7.299 3.256 -5.244 1.00 3.53 H new ATOM 0 HH11 ARG A 109 6.996 5.890 -7.513 1.00 34.35 H new ATOM 0 HH12 ARG A 109 8.580 6.554 -7.097 1.00 34.35 H new ATOM 0 HH21 ARG A 109 9.281 4.093 -4.761 1.00 52.40 H new ATOM 0 HH22 ARG A 109 9.847 5.558 -5.571 1.00 52.40 H new ATOM 1809 N THR A 110 3.978 -0.734 -6.873 1.00 65.33 N ATOM 1810 CA THR A 110 3.042 -1.325 -7.840 1.00 12.13 C ATOM 1811 C THR A 110 2.015 -2.232 -7.146 1.00 31.53 C ATOM 1812 O THR A 110 0.820 -2.163 -7.435 1.00 24.52 O ATOM 1813 CB THR A 110 3.790 -2.132 -8.931 1.00 34.33 C ATOM 1814 OG1 THR A 110 4.636 -1.257 -9.691 1.00 72.40 O ATOM 1815 CG2 THR A 110 2.817 -2.838 -9.872 1.00 72.03 C ATOM 0 H THR A 110 4.944 -1.041 -6.985 1.00 65.33 H new ATOM 0 HA THR A 110 2.515 -0.497 -8.314 1.00 12.13 H new ATOM 0 HB THR A 110 4.392 -2.890 -8.430 1.00 34.33 H new ATOM 0 HG1 THR A 110 5.396 -0.976 -9.139 1.00 72.40 H new ATOM 0 HG21 THR A 110 3.377 -3.394 -10.624 1.00 72.03 H new ATOM 0 HG22 THR A 110 2.194 -3.526 -9.301 1.00 72.03 H new ATOM 0 HG23 THR A 110 2.185 -2.098 -10.363 1.00 72.03 H new ATOM 1823 N GLN A 111 2.478 -3.073 -6.222 1.00 3.21 N ATOM 1824 CA GLN A 111 1.577 -3.959 -5.472 1.00 61.35 C ATOM 1825 C GLN A 111 0.562 -3.136 -4.662 1.00 31.20 C ATOM 1826 O GLN A 111 -0.643 -3.400 -4.693 1.00 43.43 O ATOM 1827 CB GLN A 111 2.377 -4.883 -4.540 1.00 23.40 C ATOM 1828 CG GLN A 111 3.447 -5.707 -5.251 1.00 43.12 C ATOM 1829 CD GLN A 111 2.897 -6.528 -6.406 1.00 0.12 C ATOM 1830 OE1 GLN A 111 2.487 -7.671 -6.240 1.00 62.53 O ATOM 1831 NE2 GLN A 111 2.888 -5.955 -7.594 1.00 53.21 N ATOM 0 H GLN A 111 3.463 -3.162 -5.973 1.00 3.21 H new ATOM 0 HA GLN A 111 1.033 -4.576 -6.187 1.00 61.35 H new ATOM 0 HB2 GLN A 111 2.852 -4.279 -3.767 1.00 23.40 H new ATOM 0 HB3 GLN A 111 1.687 -5.560 -4.036 1.00 23.40 H new ATOM 0 HG2 GLN A 111 4.223 -5.039 -5.625 1.00 43.12 H new ATOM 0 HG3 GLN A 111 3.921 -6.375 -4.531 1.00 43.12 H new ATOM 0 HE21 GLN A 111 3.235 -5.002 -7.703 1.00 53.21 H new ATOM 0 HE22 GLN A 111 2.534 -6.465 -8.403 1.00 53.21 H new ATOM 1840 N TYR A 112 1.060 -2.127 -3.953 1.00 20.21 N ATOM 1841 CA TYR A 112 0.206 -1.199 -3.204 1.00 14.14 C ATOM 1842 C TYR A 112 -0.775 -0.484 -4.154 1.00 23.44 C ATOM 1843 O TYR A 112 -1.964 -0.360 -3.859 1.00 23.44 O ATOM 1844 CB TYR A 112 1.082 -0.170 -2.469 1.00 4.45 C ATOM 1845 CG TYR A 112 0.344 0.679 -1.450 1.00 4.21 C ATOM 1846 CD1 TYR A 112 -0.272 1.872 -1.814 1.00 32.33 C ATOM 1847 CD2 TYR A 112 0.280 0.294 -0.116 1.00 23.33 C ATOM 1848 CE1 TYR A 112 -0.927 2.652 -0.879 1.00 52.32 C ATOM 1849 CE2 TYR A 112 -0.378 1.065 0.821 1.00 44.31 C ATOM 1850 CZ TYR A 112 -0.976 2.242 0.438 1.00 10.20 C ATOM 1851 OH TYR A 112 -1.621 3.012 1.375 1.00 42.14 O ATOM 0 H TYR A 112 2.057 -1.927 -3.879 1.00 20.21 H new ATOM 0 HA TYR A 112 -0.374 -1.762 -2.473 1.00 14.14 H new ATOM 0 HB2 TYR A 112 1.892 -0.697 -1.964 1.00 4.45 H new ATOM 0 HB3 TYR A 112 1.541 0.489 -3.206 1.00 4.45 H new ATOM 0 HD1 TYR A 112 -0.238 2.194 -2.844 1.00 32.33 H new ATOM 0 HD2 TYR A 112 0.754 -0.626 0.193 1.00 23.33 H new ATOM 0 HE1 TYR A 112 -1.398 3.577 -1.178 1.00 52.32 H new ATOM 0 HE2 TYR A 112 -0.423 0.745 1.851 1.00 44.31 H new ATOM 0 HH TYR A 112 -1.837 3.886 0.988 1.00 42.14 H new ATOM 1861 N MET A 113 -0.258 -0.050 -5.304 1.00 10.01 N ATOM 1862 CA MET A 113 -1.048 0.660 -6.321 1.00 14.40 C ATOM 1863 C MET A 113 -2.208 -0.200 -6.860 1.00 61.20 C ATOM 1864 O MET A 113 -3.240 0.324 -7.284 1.00 54.23 O ATOM 1865 CB MET A 113 -0.128 1.090 -7.475 1.00 23.34 C ATOM 1866 CG MET A 113 -0.821 1.897 -8.564 1.00 32.14 C ATOM 1867 SD MET A 113 0.312 2.402 -9.877 1.00 31.30 S ATOM 1868 CE MET A 113 1.442 3.461 -8.972 1.00 1.23 C ATOM 0 H MET A 113 0.721 -0.179 -5.561 1.00 10.01 H new ATOM 0 HA MET A 113 -1.490 1.538 -5.849 1.00 14.40 H new ATOM 0 HB2 MET A 113 0.693 1.681 -7.068 1.00 23.34 H new ATOM 0 HB3 MET A 113 0.312 0.200 -7.924 1.00 23.34 H new ATOM 0 HG2 MET A 113 -1.628 1.304 -8.993 1.00 32.14 H new ATOM 0 HG3 MET A 113 -1.277 2.783 -8.121 1.00 32.14 H new ATOM 0 HE1 MET A 113 1.964 4.116 -9.669 1.00 1.23 H new ATOM 0 HE2 MET A 113 0.882 4.064 -8.258 1.00 1.23 H new ATOM 0 HE3 MET A 113 2.167 2.847 -8.438 1.00 1.23 H new ATOM 1878 N LYS A 114 -2.034 -1.517 -6.845 1.00 53.52 N ATOM 1879 CA LYS A 114 -3.062 -2.440 -7.345 1.00 43.31 C ATOM 1880 C LYS A 114 -4.077 -2.826 -6.252 1.00 55.22 C ATOM 1881 O LYS A 114 -5.289 -2.705 -6.444 1.00 4.42 O ATOM 1882 CB LYS A 114 -2.399 -3.713 -7.896 1.00 50.35 C ATOM 1883 CG LYS A 114 -1.492 -3.472 -9.101 1.00 4.23 C ATOM 1884 CD LYS A 114 -0.723 -4.732 -9.501 1.00 32.42 C ATOM 1885 CE LYS A 114 -1.655 -5.883 -9.866 1.00 3.23 C ATOM 1886 NZ LYS A 114 -0.908 -7.064 -10.379 1.00 21.21 N ATOM 0 H LYS A 114 -1.193 -1.975 -6.493 1.00 53.52 H new ATOM 0 HA LYS A 114 -3.603 -1.924 -8.138 1.00 43.31 H new ATOM 0 HB2 LYS A 114 -1.815 -4.178 -7.102 1.00 50.35 H new ATOM 0 HB3 LYS A 114 -3.177 -4.423 -8.177 1.00 50.35 H new ATOM 0 HG2 LYS A 114 -2.093 -3.131 -9.944 1.00 4.23 H new ATOM 0 HG3 LYS A 114 -0.786 -2.675 -8.869 1.00 4.23 H new ATOM 0 HD2 LYS A 114 -0.076 -4.507 -10.349 1.00 32.42 H new ATOM 0 HD3 LYS A 114 -0.076 -5.037 -8.679 1.00 32.42 H new ATOM 0 HE2 LYS A 114 -2.234 -6.173 -8.989 1.00 3.23 H new ATOM 0 HE3 LYS A 114 -2.366 -5.548 -10.621 1.00 3.23 H new ATOM 0 HZ1 LYS A 114 -1.579 -7.823 -10.615 1.00 21.21 H new ATOM 0 HZ2 LYS A 114 -0.376 -6.795 -11.231 1.00 21.21 H new ATOM 0 HZ3 LYS A 114 -0.247 -7.400 -9.650 1.00 21.21 H new ATOM 1900 N TYR A 115 -3.572 -3.278 -5.105 1.00 32.04 N ATOM 1901 CA TYR A 115 -4.419 -3.862 -4.052 1.00 42.13 C ATOM 1902 C TYR A 115 -4.901 -2.822 -3.017 1.00 31.13 C ATOM 1903 O TYR A 115 -6.085 -2.768 -2.682 1.00 43.12 O ATOM 1904 CB TYR A 115 -3.650 -4.995 -3.343 1.00 34.04 C ATOM 1905 CG TYR A 115 -3.241 -6.140 -4.262 1.00 35.34 C ATOM 1906 CD1 TYR A 115 -2.157 -6.016 -5.127 1.00 71.32 C ATOM 1907 CD2 TYR A 115 -3.943 -7.344 -4.271 1.00 62.15 C ATOM 1908 CE1 TYR A 115 -1.786 -7.048 -5.967 1.00 63.41 C ATOM 1909 CE2 TYR A 115 -3.578 -8.381 -5.112 1.00 64.25 C ATOM 1910 CZ TYR A 115 -2.498 -8.227 -5.957 1.00 14.32 C ATOM 1911 OH TYR A 115 -2.130 -9.251 -6.803 1.00 62.04 O ATOM 0 H TYR A 115 -2.578 -3.253 -4.876 1.00 32.04 H new ATOM 0 HA TYR A 115 -5.312 -4.255 -4.538 1.00 42.13 H new ATOM 0 HB2 TYR A 115 -2.756 -4.578 -2.880 1.00 34.04 H new ATOM 0 HB3 TYR A 115 -4.270 -5.392 -2.539 1.00 34.04 H new ATOM 0 HD1 TYR A 115 -1.595 -5.094 -5.142 1.00 71.32 H new ATOM 0 HD2 TYR A 115 -4.787 -7.470 -3.610 1.00 62.15 H new ATOM 0 HE1 TYR A 115 -0.941 -6.931 -6.629 1.00 63.41 H new ATOM 0 HE2 TYR A 115 -4.136 -9.306 -5.107 1.00 64.25 H new ATOM 0 HH TYR A 115 -2.731 -10.014 -6.674 1.00 62.04 H new ATOM 1921 N LEU A 116 -3.986 -1.988 -2.520 1.00 3.33 N ATOM 1922 CA LEU A 116 -4.280 -1.108 -1.372 1.00 74.04 C ATOM 1923 C LEU A 116 -4.609 0.342 -1.779 1.00 11.42 C ATOM 1924 O LEU A 116 -5.178 1.093 -0.987 1.00 55.35 O ATOM 1925 CB LEU A 116 -3.091 -1.124 -0.399 1.00 4.51 C ATOM 1926 CG LEU A 116 -2.780 -2.496 0.227 1.00 14.44 C ATOM 1927 CD1 LEU A 116 -1.488 -2.444 1.039 1.00 53.42 C ATOM 1928 CD2 LEU A 116 -3.939 -2.965 1.102 1.00 63.44 C ATOM 0 H LEU A 116 -3.039 -1.899 -2.887 1.00 3.33 H new ATOM 0 HA LEU A 116 -5.175 -1.502 -0.891 1.00 74.04 H new ATOM 0 HB2 LEU A 116 -2.204 -0.773 -0.927 1.00 4.51 H new ATOM 0 HB3 LEU A 116 -3.287 -0.412 0.403 1.00 4.51 H new ATOM 0 HG LEU A 116 -2.646 -3.213 -0.583 1.00 14.44 H new ATOM 0 HD11 LEU A 116 -1.290 -3.425 1.471 1.00 53.42 H new ATOM 0 HD12 LEU A 116 -0.661 -2.160 0.389 1.00 53.42 H new ATOM 0 HD13 LEU A 116 -1.590 -1.710 1.838 1.00 53.42 H new ATOM 0 HD21 LEU A 116 -3.699 -3.936 1.534 1.00 63.44 H new ATOM 0 HD22 LEU A 116 -4.107 -2.243 1.901 1.00 63.44 H new ATOM 0 HD23 LEU A 116 -4.841 -3.051 0.496 1.00 63.44 H new ATOM 1940 N TYR A 117 -4.270 0.728 -3.010 1.00 22.43 N ATOM 1941 CA TYR A 117 -4.466 2.116 -3.472 1.00 73.13 C ATOM 1942 C TYR A 117 -5.942 2.566 -3.405 1.00 31.24 C ATOM 1943 O TYR A 117 -6.240 3.624 -2.846 1.00 42.52 O ATOM 1944 CB TYR A 117 -3.914 2.293 -4.893 1.00 42.43 C ATOM 1945 CG TYR A 117 -4.096 3.687 -5.472 1.00 14.13 C ATOM 1946 CD1 TYR A 117 -3.274 4.739 -5.075 1.00 31.34 C ATOM 1947 CD2 TYR A 117 -5.085 3.951 -6.417 1.00 23.13 C ATOM 1948 CE1 TYR A 117 -3.432 6.007 -5.601 1.00 74.25 C ATOM 1949 CE2 TYR A 117 -5.246 5.216 -6.947 1.00 42.43 C ATOM 1950 CZ TYR A 117 -4.418 6.239 -6.537 1.00 44.31 C ATOM 1951 OH TYR A 117 -4.575 7.499 -7.068 1.00 11.34 O ATOM 0 H TYR A 117 -3.860 0.107 -3.707 1.00 22.43 H new ATOM 0 HA TYR A 117 -3.910 2.757 -2.788 1.00 73.13 H new ATOM 0 HB2 TYR A 117 -2.851 2.051 -4.889 1.00 42.43 H new ATOM 0 HB3 TYR A 117 -4.402 1.574 -5.551 1.00 42.43 H new ATOM 0 HD1 TYR A 117 -2.500 4.561 -4.343 1.00 31.34 H new ATOM 0 HD2 TYR A 117 -5.737 3.153 -6.741 1.00 23.13 H new ATOM 0 HE1 TYR A 117 -2.787 6.812 -5.281 1.00 74.25 H new ATOM 0 HE2 TYR A 117 -6.017 5.403 -7.680 1.00 42.43 H new ATOM 0 HH TYR A 117 -5.312 7.492 -7.713 1.00 11.34 H new ATOM 1961 N PRO A 118 -6.902 1.790 -3.968 1.00 24.25 N ATOM 1962 CA PRO A 118 -8.327 2.149 -3.880 1.00 45.43 C ATOM 1963 C PRO A 118 -8.827 2.162 -2.425 1.00 71.33 C ATOM 1964 O PRO A 118 -9.706 2.946 -2.057 1.00 4.52 O ATOM 1965 CB PRO A 118 -9.029 1.045 -4.688 1.00 4.14 C ATOM 1966 CG PRO A 118 -8.070 -0.099 -4.682 1.00 32.43 C ATOM 1967 CD PRO A 118 -6.704 0.526 -4.718 1.00 14.12 C ATOM 0 HA PRO A 118 -8.523 3.152 -4.259 1.00 45.43 H new ATOM 0 HB2 PRO A 118 -9.980 0.766 -4.234 1.00 4.14 H new ATOM 0 HB3 PRO A 118 -9.245 1.375 -5.704 1.00 4.14 H new ATOM 0 HG2 PRO A 118 -8.197 -0.714 -3.791 1.00 32.43 H new ATOM 0 HG3 PRO A 118 -8.228 -0.749 -5.543 1.00 32.43 H new ATOM 0 HD2 PRO A 118 -5.955 -0.111 -4.247 1.00 14.12 H new ATOM 0 HD3 PRO A 118 -6.370 0.710 -5.739 1.00 14.12 H new ATOM 1975 N TYR A 119 -8.238 1.296 -1.601 1.00 54.14 N ATOM 1976 CA TYR A 119 -8.622 1.175 -0.193 1.00 42.13 C ATOM 1977 C TYR A 119 -8.150 2.396 0.616 1.00 23.10 C ATOM 1978 O TYR A 119 -8.854 2.862 1.518 1.00 30.11 O ATOM 1979 CB TYR A 119 -8.041 -0.119 0.389 1.00 14.14 C ATOM 1980 CG TYR A 119 -8.681 -0.549 1.696 1.00 21.25 C ATOM 1981 CD1 TYR A 119 -9.941 -1.140 1.709 1.00 15.04 C ATOM 1982 CD2 TYR A 119 -8.030 -0.370 2.911 1.00 31.11 C ATOM 1983 CE1 TYR A 119 -10.528 -1.538 2.893 1.00 3.45 C ATOM 1984 CE2 TYR A 119 -8.614 -0.768 4.096 1.00 11.42 C ATOM 1985 CZ TYR A 119 -9.861 -1.352 4.082 1.00 53.22 C ATOM 1986 OH TYR A 119 -10.444 -1.744 5.265 1.00 42.44 O ATOM 0 H TYR A 119 -7.489 0.664 -1.885 1.00 54.14 H new ATOM 0 HA TYR A 119 -9.709 1.138 -0.129 1.00 42.13 H new ATOM 0 HB2 TYR A 119 -8.159 -0.919 -0.342 1.00 14.14 H new ATOM 0 HB3 TYR A 119 -6.971 0.014 0.547 1.00 14.14 H new ATOM 0 HD1 TYR A 119 -10.468 -1.290 0.778 1.00 15.04 H new ATOM 0 HD2 TYR A 119 -7.052 0.088 2.928 1.00 31.11 H new ATOM 0 HE1 TYR A 119 -11.507 -1.994 2.886 1.00 3.45 H new ATOM 0 HE2 TYR A 119 -8.095 -0.622 5.032 1.00 11.42 H new ATOM 0 HH TYR A 119 -11.281 -2.218 5.076 1.00 42.44 H new ATOM 1996 N GLU A 120 -6.961 2.910 0.282 1.00 51.51 N ATOM 1997 CA GLU A 120 -6.454 4.153 0.879 1.00 15.45 C ATOM 1998 C GLU A 120 -7.469 5.286 0.684 1.00 1.21 C ATOM 1999 O GLU A 120 -7.908 5.914 1.643 1.00 73.04 O ATOM 2000 CB GLU A 120 -5.105 4.548 0.248 1.00 41.53 C ATOM 2001 CG GLU A 120 -4.518 5.848 0.803 1.00 53.13 C ATOM 2002 CD GLU A 120 -3.222 6.270 0.116 1.00 42.51 C ATOM 2003 OE1 GLU A 120 -2.227 5.524 0.210 1.00 63.11 O ATOM 2004 OE2 GLU A 120 -3.194 7.351 -0.519 1.00 75.24 O ATOM 0 H GLU A 120 -6.331 2.485 -0.398 1.00 51.51 H new ATOM 0 HA GLU A 120 -6.305 3.984 1.946 1.00 15.45 H new ATOM 0 HB2 GLU A 120 -4.390 3.741 0.408 1.00 41.53 H new ATOM 0 HB3 GLU A 120 -5.235 4.650 -0.829 1.00 41.53 H new ATOM 0 HG2 GLU A 120 -5.254 6.645 0.696 1.00 53.13 H new ATOM 0 HG3 GLU A 120 -4.332 5.728 1.870 1.00 53.13 H new ATOM 2011 N CYS A 121 -7.854 5.511 -0.572 1.00 1.53 N ATOM 2012 CA CYS A 121 -8.845 6.541 -0.920 1.00 62.01 C ATOM 2013 C CYS A 121 -10.148 6.390 -0.116 1.00 55.44 C ATOM 2014 O CYS A 121 -10.738 7.382 0.321 1.00 74.12 O ATOM 2015 CB CYS A 121 -9.160 6.479 -2.421 1.00 1.43 C ATOM 2016 SG CYS A 121 -10.451 7.626 -2.962 1.00 1.30 S ATOM 0 H CYS A 121 -7.495 4.992 -1.373 1.00 1.53 H new ATOM 0 HA CYS A 121 -8.409 7.508 -0.668 1.00 62.01 H new ATOM 0 HB2 CYS A 121 -8.248 6.688 -2.980 1.00 1.43 H new ATOM 0 HB3 CYS A 121 -9.464 5.463 -2.674 1.00 1.43 H new ATOM 0 HG CYS A 121 -10.639 7.496 -4.242 1.00 1.30 H new ATOM 2022 N GLU A 122 -10.590 5.148 0.072 1.00 74.21 N ATOM 2023 CA GLU A 122 -11.829 4.854 0.809 1.00 61.23 C ATOM 2024 C GLU A 122 -11.756 5.313 2.278 1.00 55.50 C ATOM 2025 O GLU A 122 -12.640 6.027 2.766 1.00 25.11 O ATOM 2026 CB GLU A 122 -12.122 3.343 0.736 1.00 71.54 C ATOM 2027 CG GLU A 122 -13.283 2.868 1.613 1.00 42.12 C ATOM 2028 CD GLU A 122 -14.614 3.522 1.265 1.00 0.03 C ATOM 2029 OE1 GLU A 122 -15.190 3.188 0.211 1.00 52.40 O ATOM 2030 OE2 GLU A 122 -15.102 4.358 2.057 1.00 21.41 O ATOM 0 H GLU A 122 -10.108 4.320 -0.277 1.00 74.21 H new ATOM 0 HA GLU A 122 -12.639 5.413 0.340 1.00 61.23 H new ATOM 0 HB2 GLU A 122 -12.337 3.079 -0.300 1.00 71.54 H new ATOM 0 HB3 GLU A 122 -11.222 2.799 1.024 1.00 71.54 H new ATOM 0 HG2 GLU A 122 -13.382 1.787 1.517 1.00 42.12 H new ATOM 0 HG3 GLU A 122 -13.048 3.075 2.657 1.00 42.12 H new ATOM 2037 N LYS A 123 -10.704 4.903 2.984 1.00 34.43 N ATOM 2038 CA LYS A 123 -10.587 5.180 4.423 1.00 34.13 C ATOM 2039 C LYS A 123 -9.935 6.548 4.708 1.00 33.31 C ATOM 2040 O LYS A 123 -10.156 7.140 5.765 1.00 13.34 O ATOM 2041 CB LYS A 123 -9.797 4.055 5.110 1.00 12.20 C ATOM 2042 CG LYS A 123 -10.386 2.659 4.877 1.00 34.12 C ATOM 2043 CD LYS A 123 -11.862 2.586 5.276 1.00 51.53 C ATOM 2044 CE LYS A 123 -12.470 1.215 4.987 1.00 53.45 C ATOM 2045 NZ LYS A 123 -11.948 0.159 5.896 1.00 10.01 N ATOM 0 H LYS A 123 -9.922 4.380 2.590 1.00 34.43 H new ATOM 0 HA LYS A 123 -11.597 5.219 4.832 1.00 34.13 H new ATOM 0 HB2 LYS A 123 -8.769 4.071 4.748 1.00 12.20 H new ATOM 0 HB3 LYS A 123 -9.761 4.250 6.182 1.00 12.20 H new ATOM 0 HG2 LYS A 123 -10.281 2.392 3.825 1.00 34.12 H new ATOM 0 HG3 LYS A 123 -9.819 1.926 5.450 1.00 34.12 H new ATOM 0 HD2 LYS A 123 -11.961 2.809 6.338 1.00 51.53 H new ATOM 0 HD3 LYS A 123 -12.421 3.351 4.736 1.00 51.53 H new ATOM 0 HE2 LYS A 123 -13.554 1.273 5.087 1.00 53.45 H new ATOM 0 HE3 LYS A 123 -12.259 0.938 3.954 1.00 53.45 H new ATOM 0 HZ1 LYS A 123 -11.299 -0.461 5.371 1.00 10.01 H new ATOM 0 HZ2 LYS A 123 -11.439 0.602 6.687 1.00 10.01 H new ATOM 0 HZ3 LYS A 123 -12.741 -0.404 6.266 1.00 10.01 H new ATOM 2059 N ARG A 124 -9.150 7.048 3.758 1.00 0.44 N ATOM 2060 CA ARG A 124 -8.441 8.329 3.910 1.00 12.13 C ATOM 2061 C ARG A 124 -8.255 9.042 2.556 1.00 32.21 C ATOM 2062 O ARG A 124 -7.484 8.599 1.707 1.00 50.53 O ATOM 2063 CB ARG A 124 -7.069 8.099 4.577 1.00 43.24 C ATOM 2064 CG ARG A 124 -7.060 8.269 6.095 1.00 32.02 C ATOM 2065 CD ARG A 124 -7.240 9.731 6.504 1.00 0.22 C ATOM 2066 NE ARG A 124 -7.059 9.924 7.942 1.00 53.21 N ATOM 2067 CZ ARG A 124 -6.891 11.085 8.521 1.00 20.51 C ATOM 2068 NH1 ARG A 124 -6.903 12.186 7.835 1.00 54.45 N ATOM 2069 NH2 ARG A 124 -6.715 11.144 9.799 1.00 2.21 N ATOM 0 H ARG A 124 -8.984 6.585 2.864 1.00 0.44 H new ATOM 0 HA ARG A 124 -9.051 8.972 4.544 1.00 12.13 H new ATOM 0 HB2 ARG A 124 -6.727 7.092 4.336 1.00 43.24 H new ATOM 0 HB3 ARG A 124 -6.349 8.793 4.143 1.00 43.24 H new ATOM 0 HG2 ARG A 124 -7.857 7.668 6.533 1.00 32.02 H new ATOM 0 HG3 ARG A 124 -6.120 7.892 6.497 1.00 32.02 H new ATOM 0 HD2 ARG A 124 -6.524 10.350 5.962 1.00 0.22 H new ATOM 0 HD3 ARG A 124 -8.236 10.068 6.215 1.00 0.22 H new ATOM 0 HE ARG A 124 -7.064 9.095 8.536 1.00 53.21 H new ATOM 0 HH11 ARG A 124 -7.045 12.156 6.825 1.00 54.45 H new ATOM 0 HH12 ARG A 124 -6.770 13.081 8.305 1.00 54.45 H new ATOM 0 HH21 ARG A 124 -6.707 10.287 10.353 1.00 2.21 H new ATOM 0 HH22 ARG A 124 -6.584 12.047 10.255 1.00 2.21 H new ATOM 2083 N GLY A 125 -8.952 10.160 2.369 1.00 62.14 N ATOM 2084 CA GLY A 125 -8.827 10.935 1.136 1.00 34.44 C ATOM 2085 C GLY A 125 -7.538 11.749 1.084 1.00 62.53 C ATOM 2086 O GLY A 125 -7.565 12.982 1.100 1.00 43.41 O ATOM 0 H GLY A 125 -9.605 10.548 3.050 1.00 62.14 H new ATOM 0 HA2 GLY A 125 -8.861 10.259 0.281 1.00 34.44 H new ATOM 0 HA3 GLY A 125 -9.681 11.607 1.045 1.00 34.44 H new ATOM 2090 N LEU A 126 -6.409 11.050 1.025 1.00 1.31 N ATOM 2091 CA LEU A 126 -5.087 11.683 1.069 1.00 1.31 C ATOM 2092 C LEU A 126 -4.586 12.072 -0.330 1.00 61.40 C ATOM 2093 O LEU A 126 -4.388 13.253 -0.625 1.00 22.54 O ATOM 2094 CB LEU A 126 -4.089 10.726 1.737 1.00 23.32 C ATOM 2095 CG LEU A 126 -4.453 10.315 3.172 1.00 14.14 C ATOM 2096 CD1 LEU A 126 -3.611 9.129 3.632 1.00 64.51 C ATOM 2097 CD2 LEU A 126 -4.290 11.493 4.131 1.00 11.11 C ATOM 0 H LEU A 126 -6.380 10.034 0.946 1.00 1.31 H new ATOM 0 HA LEU A 126 -5.172 12.602 1.649 1.00 1.31 H new ATOM 0 HB2 LEU A 126 -4.005 9.827 1.127 1.00 23.32 H new ATOM 0 HB3 LEU A 126 -3.106 11.197 1.747 1.00 23.32 H new ATOM 0 HG LEU A 126 -5.499 10.010 3.177 1.00 14.14 H new ATOM 0 HD11 LEU A 126 -3.889 8.859 4.651 1.00 64.51 H new ATOM 0 HD12 LEU A 126 -3.786 8.280 2.971 1.00 64.51 H new ATOM 0 HD13 LEU A 126 -2.555 9.399 3.604 1.00 64.51 H new ATOM 0 HD21 LEU A 126 -4.553 11.179 5.141 1.00 11.11 H new ATOM 0 HD22 LEU A 126 -3.255 11.834 4.115 1.00 11.11 H new ATOM 0 HD23 LEU A 126 -4.945 12.307 3.822 1.00 11.11 H new ATOM 2109 N SER A 127 -4.403 11.079 -1.195 1.00 73.33 N ATOM 2110 CA SER A 127 -3.802 11.303 -2.518 1.00 74.13 C ATOM 2111 C SER A 127 -4.847 11.329 -3.645 1.00 21.51 C ATOM 2112 O SER A 127 -6.001 10.929 -3.461 1.00 52.41 O ATOM 2113 CB SER A 127 -2.773 10.208 -2.814 1.00 23.21 C ATOM 2114 OG SER A 127 -3.392 8.940 -2.955 1.00 21.40 O ATOM 0 H SER A 127 -4.660 10.110 -1.009 1.00 73.33 H new ATOM 0 HA SER A 127 -3.323 12.281 -2.487 1.00 74.13 H new ATOM 0 HB2 SER A 127 -2.231 10.453 -3.727 1.00 23.21 H new ATOM 0 HB3 SER A 127 -2.039 10.169 -2.009 1.00 23.21 H new ATOM 0 HG SER A 127 -3.317 8.444 -2.113 1.00 21.40 H new ATOM 2120 N ASN A 128 -4.428 11.824 -4.810 1.00 33.33 N ATOM 2121 CA ASN A 128 -5.256 11.809 -6.025 1.00 42.55 C ATOM 2122 C ASN A 128 -4.490 11.144 -7.183 1.00 52.53 C ATOM 2123 O ASN A 128 -3.260 11.224 -7.245 1.00 31.04 O ATOM 2124 CB ASN A 128 -5.646 13.237 -6.438 1.00 34.51 C ATOM 2125 CG ASN A 128 -6.201 14.054 -5.289 1.00 53.32 C ATOM 2126 OD1 ASN A 128 -7.393 14.023 -5.004 1.00 51.05 O ATOM 2127 ND2 ASN A 128 -5.340 14.796 -4.628 1.00 4.15 N ATOM 0 H ASN A 128 -3.509 12.246 -4.942 1.00 33.33 H new ATOM 0 HA ASN A 128 -6.160 11.240 -5.807 1.00 42.55 H new ATOM 0 HB2 ASN A 128 -4.771 13.743 -6.847 1.00 34.51 H new ATOM 0 HB3 ASN A 128 -6.388 13.189 -7.235 1.00 34.51 H new ATOM 0 HD21 ASN A 128 -5.656 15.372 -3.848 1.00 4.15 H new ATOM 0 HD22 ASN A 128 -4.356 14.795 -4.895 1.00 4.15 H new ATOM 2134 N PRO A 129 -5.199 10.502 -8.134 1.00 23.04 N ATOM 2135 CA PRO A 129 -4.555 9.864 -9.302 1.00 53.32 C ATOM 2136 C PRO A 129 -3.771 10.870 -10.166 1.00 13.30 C ATOM 2137 O PRO A 129 -2.780 10.518 -10.808 1.00 42.10 O ATOM 2138 CB PRO A 129 -5.737 9.273 -10.092 1.00 31.41 C ATOM 2139 CG PRO A 129 -6.941 10.009 -9.600 1.00 23.24 C ATOM 2140 CD PRO A 129 -6.664 10.336 -8.157 1.00 55.22 C ATOM 0 HA PRO A 129 -3.818 9.120 -9.000 1.00 53.32 H new ATOM 0 HB2 PRO A 129 -5.602 9.410 -11.165 1.00 31.41 H new ATOM 0 HB3 PRO A 129 -5.831 8.201 -9.917 1.00 31.41 H new ATOM 0 HG2 PRO A 129 -7.109 10.916 -10.181 1.00 23.24 H new ATOM 0 HG3 PRO A 129 -7.839 9.398 -9.697 1.00 23.24 H new ATOM 0 HD2 PRO A 129 -7.179 11.244 -7.842 1.00 55.22 H new ATOM 0 HD3 PRO A 129 -6.991 9.537 -7.491 1.00 55.22 H new ATOM 2148 N ASN A 130 -4.220 12.125 -10.168 1.00 31.41 N ATOM 2149 CA ASN A 130 -3.565 13.186 -10.946 1.00 14.52 C ATOM 2150 C ASN A 130 -2.165 13.512 -10.395 1.00 1.52 C ATOM 2151 O ASN A 130 -1.175 13.482 -11.132 1.00 41.11 O ATOM 2152 CB ASN A 130 -4.442 14.445 -10.958 1.00 25.21 C ATOM 2153 CG ASN A 130 -5.816 14.182 -11.548 1.00 71.13 C ATOM 2154 OD1 ASN A 130 -5.984 13.322 -12.402 1.00 2.43 O ATOM 2155 ND2 ASN A 130 -6.810 14.912 -11.090 1.00 25.43 N ATOM 0 H ASN A 130 -5.035 12.436 -9.640 1.00 31.41 H new ATOM 0 HA ASN A 130 -3.440 12.826 -11.967 1.00 14.52 H new ATOM 0 HB2 ASN A 130 -4.551 14.819 -9.940 1.00 25.21 H new ATOM 0 HB3 ASN A 130 -3.945 15.226 -11.533 1.00 25.21 H new ATOM 0 HD21 ASN A 130 -7.755 14.769 -11.447 1.00 25.43 H new ATOM 0 HD22 ASN A 130 -6.636 15.621 -10.378 1.00 25.43 H new ATOM 2162 N GLU A 131 -2.082 13.824 -9.100 1.00 71.04 N ATOM 2163 CA GLU A 131 -0.791 14.102 -8.455 1.00 43.43 C ATOM 2164 C GLU A 131 0.127 12.868 -8.502 1.00 62.21 C ATOM 2165 O GLU A 131 1.350 12.993 -8.596 1.00 4.15 O ATOM 2166 CB GLU A 131 -1.003 14.562 -7.002 1.00 2.44 C ATOM 2167 CG GLU A 131 -1.437 13.456 -6.047 1.00 3.04 C ATOM 2168 CD GLU A 131 -1.571 13.946 -4.616 1.00 13.54 C ATOM 2169 OE1 GLU A 131 -0.550 14.034 -3.909 1.00 64.05 O ATOM 2170 OE2 GLU A 131 -2.697 14.265 -4.203 1.00 11.14 O ATOM 0 H GLU A 131 -2.887 13.891 -8.478 1.00 71.04 H new ATOM 0 HA GLU A 131 -0.304 14.906 -9.007 1.00 43.43 H new ATOM 0 HB2 GLU A 131 -0.075 15.000 -6.634 1.00 2.44 H new ATOM 0 HB3 GLU A 131 -1.755 15.351 -6.990 1.00 2.44 H new ATOM 0 HG2 GLU A 131 -2.391 13.047 -6.379 1.00 3.04 H new ATOM 0 HG3 GLU A 131 -0.712 12.643 -6.083 1.00 3.04 H new ATOM 2177 N LEU A 132 -0.480 11.678 -8.438 1.00 64.24 N ATOM 2178 CA LEU A 132 0.255 10.406 -8.508 1.00 23.23 C ATOM 2179 C LEU A 132 1.209 10.363 -9.715 1.00 2.40 C ATOM 2180 O LEU A 132 2.378 9.997 -9.578 1.00 34.15 O ATOM 2181 CB LEU A 132 -0.739 9.233 -8.580 1.00 45.01 C ATOM 2182 CG LEU A 132 -0.114 7.826 -8.655 1.00 13.23 C ATOM 2183 CD1 LEU A 132 0.702 7.523 -7.402 1.00 21.42 C ATOM 2184 CD2 LEU A 132 -1.197 6.766 -8.866 1.00 24.21 C ATOM 0 H LEU A 132 -1.489 11.567 -8.337 1.00 64.24 H new ATOM 0 HA LEU A 132 0.860 10.320 -7.606 1.00 23.23 H new ATOM 0 HB2 LEU A 132 -1.386 9.276 -7.704 1.00 45.01 H new ATOM 0 HB3 LEU A 132 -1.375 9.374 -9.454 1.00 45.01 H new ATOM 0 HG LEU A 132 0.562 7.801 -9.510 1.00 13.23 H new ATOM 0 HD11 LEU A 132 1.132 6.524 -7.480 1.00 21.42 H new ATOM 0 HD12 LEU A 132 1.503 8.256 -7.303 1.00 21.42 H new ATOM 0 HD13 LEU A 132 0.055 7.572 -6.526 1.00 21.42 H new ATOM 0 HD21 LEU A 132 -0.736 5.780 -8.916 1.00 24.21 H new ATOM 0 HD22 LEU A 132 -1.902 6.795 -8.035 1.00 24.21 H new ATOM 0 HD23 LEU A 132 -1.726 6.967 -9.797 1.00 24.21 H new ATOM 2196 N GLN A 133 0.710 10.749 -10.892 1.00 23.42 N ATOM 2197 CA GLN A 133 1.527 10.754 -12.116 1.00 4.41 C ATOM 2198 C GLN A 133 2.776 11.642 -11.957 1.00 71.24 C ATOM 2199 O GLN A 133 3.895 11.213 -12.247 1.00 44.53 O ATOM 2200 CB GLN A 133 0.687 11.225 -13.316 1.00 71.15 C ATOM 2201 CG GLN A 133 1.436 11.219 -14.651 1.00 12.12 C ATOM 2202 CD GLN A 133 1.985 9.846 -15.023 1.00 60.20 C ATOM 2203 OE1 GLN A 133 1.307 9.039 -15.650 1.00 73.53 O ATOM 2204 NE2 GLN A 133 3.226 9.578 -14.664 1.00 55.22 N ATOM 0 H GLN A 133 -0.251 11.062 -11.027 1.00 23.42 H new ATOM 0 HA GLN A 133 1.864 9.733 -12.296 1.00 4.41 H new ATOM 0 HB2 GLN A 133 -0.191 10.586 -13.403 1.00 71.15 H new ATOM 0 HB3 GLN A 133 0.328 12.235 -13.119 1.00 71.15 H new ATOM 0 HG2 GLN A 133 0.765 11.561 -15.439 1.00 12.12 H new ATOM 0 HG3 GLN A 133 2.259 11.932 -14.602 1.00 12.12 H new ATOM 0 HE21 GLN A 133 3.767 10.268 -14.143 1.00 55.22 H new ATOM 0 HE22 GLN A 133 3.645 8.680 -14.908 1.00 55.22 H new ATOM 2213 N ALA A 134 2.575 12.872 -11.481 1.00 60.50 N ATOM 2214 CA ALA A 134 3.682 13.814 -11.256 1.00 34.11 C ATOM 2215 C ALA A 134 4.696 13.267 -10.234 1.00 11.24 C ATOM 2216 O ALA A 134 5.904 13.504 -10.347 1.00 3.34 O ATOM 2217 CB ALA A 134 3.136 15.157 -10.790 1.00 53.35 C ATOM 0 H ALA A 134 1.655 13.243 -11.242 1.00 60.50 H new ATOM 0 HA ALA A 134 4.207 13.946 -12.202 1.00 34.11 H new ATOM 0 HB1 ALA A 134 3.962 15.849 -10.626 1.00 53.35 H new ATOM 0 HB2 ALA A 134 2.469 15.563 -11.551 1.00 53.35 H new ATOM 0 HB3 ALA A 134 2.585 15.023 -9.859 1.00 53.35 H new ATOM 2223 N ALA A 135 4.188 12.548 -9.233 1.00 73.40 N ATOM 2224 CA ALA A 135 5.032 11.887 -8.229 1.00 70.22 C ATOM 2225 C ALA A 135 5.965 10.854 -8.878 1.00 31.12 C ATOM 2226 O ALA A 135 7.171 10.815 -8.617 1.00 14.02 O ATOM 2227 CB ALA A 135 4.148 11.203 -7.192 1.00 21.22 C ATOM 0 H ALA A 135 3.188 12.406 -9.093 1.00 73.40 H new ATOM 0 HA ALA A 135 5.650 12.645 -7.748 1.00 70.22 H new ATOM 0 HB1 ALA A 135 4.774 10.712 -6.447 1.00 21.22 H new ATOM 0 HB2 ALA A 135 3.518 11.946 -6.704 1.00 21.22 H new ATOM 0 HB3 ALA A 135 3.519 10.460 -7.683 1.00 21.22 H new ATOM 2233 N ILE A 136 5.384 10.033 -9.743 1.00 71.04 N ATOM 2234 CA ILE A 136 6.109 8.965 -10.430 1.00 72.02 C ATOM 2235 C ILE A 136 7.115 9.550 -11.416 1.00 42.13 C ATOM 2236 O ILE A 136 8.254 9.092 -11.517 1.00 71.01 O ATOM 2237 CB ILE A 136 5.120 8.051 -11.183 1.00 70.12 C ATOM 2238 CG1 ILE A 136 4.096 7.475 -10.190 1.00 12.40 C ATOM 2239 CG2 ILE A 136 5.856 6.930 -11.919 1.00 42.24 C ATOM 2240 CD1 ILE A 136 2.930 6.766 -10.840 1.00 73.15 C ATOM 0 H ILE A 136 4.396 10.086 -9.990 1.00 71.04 H new ATOM 0 HA ILE A 136 6.645 8.379 -9.683 1.00 72.02 H new ATOM 0 HB ILE A 136 4.595 8.643 -11.933 1.00 70.12 H new ATOM 0 HG12 ILE A 136 4.605 6.778 -9.525 1.00 12.40 H new ATOM 0 HG13 ILE A 136 3.713 8.285 -9.570 1.00 12.40 H new ATOM 0 HG21 ILE A 136 5.134 6.302 -12.441 1.00 42.24 H new ATOM 0 HG22 ILE A 136 6.549 7.362 -12.641 1.00 42.24 H new ATOM 0 HG23 ILE A 136 6.410 6.326 -11.201 1.00 42.24 H new ATOM 0 HD11 ILE A 136 2.257 6.391 -10.069 1.00 73.15 H new ATOM 0 HD12 ILE A 136 2.393 7.463 -11.483 1.00 73.15 H new ATOM 0 HD13 ILE A 136 3.298 5.932 -11.437 1.00 73.15 H new ATOM 2252 N ASP A 137 6.673 10.569 -12.135 1.00 52.55 N ATOM 2253 CA ASP A 137 7.526 11.320 -13.044 1.00 61.42 C ATOM 2254 C ASP A 137 8.785 11.844 -12.332 1.00 54.14 C ATOM 2255 O ASP A 137 9.903 11.669 -12.818 1.00 45.14 O ATOM 2256 CB ASP A 137 6.724 12.475 -13.641 1.00 54.02 C ATOM 2257 CG ASP A 137 6.062 12.105 -14.953 1.00 10.25 C ATOM 2258 OD1 ASP A 137 6.781 11.974 -15.965 1.00 5.52 O ATOM 2259 OD2 ASP A 137 4.828 11.927 -14.980 1.00 74.40 O ATOM 0 H ASP A 137 5.709 10.900 -12.105 1.00 52.55 H new ATOM 0 HA ASP A 137 7.861 10.656 -13.841 1.00 61.42 H new ATOM 0 HB2 ASP A 137 5.961 12.790 -12.929 1.00 54.02 H new ATOM 0 HB3 ASP A 137 7.384 13.328 -13.799 1.00 54.02 H new ATOM 2264 N SER A 138 8.594 12.473 -11.176 1.00 50.12 N ATOM 2265 CA SER A 138 9.721 12.948 -10.362 1.00 63.25 C ATOM 2266 C SER A 138 10.660 11.793 -9.990 1.00 71.45 C ATOM 2267 O SER A 138 11.880 11.915 -10.085 1.00 72.52 O ATOM 2268 CB SER A 138 9.212 13.628 -9.084 1.00 33.02 C ATOM 2269 OG SER A 138 10.288 14.051 -8.261 1.00 22.15 O ATOM 0 H SER A 138 7.675 12.668 -10.778 1.00 50.12 H new ATOM 0 HA SER A 138 10.277 13.672 -10.958 1.00 63.25 H new ATOM 0 HB2 SER A 138 8.594 14.486 -9.348 1.00 33.02 H new ATOM 0 HB3 SER A 138 8.577 12.937 -8.530 1.00 33.02 H new ATOM 0 HG SER A 138 9.934 14.482 -7.455 1.00 22.15 H new ATOM 2275 N ASN A 139 10.082 10.658 -9.591 1.00 61.23 N ATOM 2276 CA ASN A 139 10.872 9.482 -9.192 1.00 23.44 C ATOM 2277 C ASN A 139 11.646 8.867 -10.372 1.00 14.21 C ATOM 2278 O ASN A 139 12.790 8.439 -10.213 1.00 62.10 O ATOM 2279 CB ASN A 139 9.972 8.414 -8.558 1.00 23.31 C ATOM 2280 CG ASN A 139 9.531 8.760 -7.146 1.00 72.44 C ATOM 2281 OD1 ASN A 139 9.375 7.877 -6.312 1.00 41.51 O ATOM 2282 ND2 ASN A 139 9.296 10.026 -6.866 1.00 0.21 N ATOM 0 H ASN A 139 9.072 10.524 -9.534 1.00 61.23 H new ATOM 0 HA ASN A 139 11.600 9.830 -8.460 1.00 23.44 H new ATOM 0 HB2 ASN A 139 9.090 8.275 -9.183 1.00 23.31 H new ATOM 0 HB3 ASN A 139 10.504 7.463 -8.542 1.00 23.31 H new ATOM 0 HD21 ASN A 139 8.976 10.291 -5.935 1.00 0.21 H new ATOM 0 HD22 ASN A 139 9.435 10.741 -7.581 1.00 0.21 H new ATOM 2289 N ARG A 140 11.022 8.812 -11.549 1.00 2.42 N ATOM 2290 CA ARG A 140 11.673 8.229 -12.729 1.00 2.52 C ATOM 2291 C ARG A 140 12.681 9.201 -13.364 1.00 54.21 C ATOM 2292 O ARG A 140 13.593 8.784 -14.078 1.00 73.10 O ATOM 2293 CB ARG A 140 10.637 7.736 -13.759 1.00 13.32 C ATOM 2294 CG ARG A 140 9.721 8.804 -14.353 1.00 40.34 C ATOM 2295 CD ARG A 140 8.717 8.167 -15.315 1.00 31.41 C ATOM 2296 NE ARG A 140 7.702 9.101 -15.801 1.00 21.12 N ATOM 2297 CZ ARG A 140 6.556 8.728 -16.318 1.00 31.01 C ATOM 2298 NH1 ARG A 140 6.266 7.472 -16.442 1.00 14.15 N ATOM 2299 NH2 ARG A 140 5.706 9.616 -16.711 1.00 62.05 N ATOM 0 H ARG A 140 10.077 9.159 -11.713 1.00 2.42 H new ATOM 0 HA ARG A 140 12.236 7.360 -12.389 1.00 2.52 H new ATOM 0 HB2 ARG A 140 11.170 7.248 -14.575 1.00 13.32 H new ATOM 0 HB3 ARG A 140 10.016 6.976 -13.285 1.00 13.32 H new ATOM 0 HG2 ARG A 140 9.191 9.323 -13.555 1.00 40.34 H new ATOM 0 HG3 ARG A 140 10.315 9.551 -14.879 1.00 40.34 H new ATOM 0 HD2 ARG A 140 9.255 7.752 -16.167 1.00 31.41 H new ATOM 0 HD3 ARG A 140 8.223 7.335 -14.814 1.00 31.41 H new ATOM 0 HE ARG A 140 7.897 10.100 -15.734 1.00 21.12 H new ATOM 0 HH11 ARG A 140 6.932 6.762 -16.136 1.00 14.15 H new ATOM 0 HH12 ARG A 140 5.372 7.192 -16.845 1.00 14.15 H new ATOM 0 HH21 ARG A 140 5.926 10.608 -16.619 1.00 62.05 H new ATOM 0 HH22 ARG A 140 4.815 9.326 -17.113 1.00 62.05 H new ATOM 2313 N ARG A 141 12.505 10.498 -13.114 1.00 51.44 N ATOM 2314 CA ARG A 141 13.497 11.503 -13.515 1.00 61.10 C ATOM 2315 C ARG A 141 14.643 11.586 -12.486 1.00 35.22 C ATOM 2316 O ARG A 141 15.765 11.976 -12.816 1.00 24.41 O ATOM 2317 CB ARG A 141 12.829 12.879 -13.671 1.00 60.44 C ATOM 2318 CG ARG A 141 13.787 13.981 -14.119 1.00 53.34 C ATOM 2319 CD ARG A 141 13.091 15.332 -14.244 1.00 2.42 C ATOM 2320 NE ARG A 141 12.026 15.317 -15.246 1.00 60.12 N ATOM 2321 CZ ARG A 141 12.192 15.620 -16.507 1.00 24.23 C ATOM 2322 NH1 ARG A 141 13.369 15.875 -16.986 1.00 23.44 N ATOM 2323 NH2 ARG A 141 11.174 15.646 -17.297 1.00 0.54 N ATOM 0 H ARG A 141 11.688 10.880 -12.637 1.00 51.44 H new ATOM 0 HA ARG A 141 13.917 11.201 -14.474 1.00 61.10 H new ATOM 0 HB2 ARG A 141 12.018 12.799 -14.395 1.00 60.44 H new ATOM 0 HB3 ARG A 141 12.380 13.165 -12.720 1.00 60.44 H new ATOM 0 HG2 ARG A 141 14.606 14.061 -13.404 1.00 53.34 H new ATOM 0 HG3 ARG A 141 14.227 13.710 -15.079 1.00 53.34 H new ATOM 0 HD2 ARG A 141 12.673 15.614 -13.277 1.00 2.42 H new ATOM 0 HD3 ARG A 141 13.825 16.093 -14.508 1.00 2.42 H new ATOM 0 HE ARG A 141 11.090 15.052 -14.940 1.00 60.12 H new ATOM 0 HH11 ARG A 141 14.186 15.841 -16.376 1.00 23.44 H new ATOM 0 HH12 ARG A 141 13.478 16.109 -17.973 1.00 23.44 H new ATOM 0 HH21 ARG A 141 10.244 15.431 -16.938 1.00 0.54 H new ATOM 0 HH22 ARG A 141 11.298 15.882 -18.282 1.00 0.54 H new