USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 30 SER OG : rot 75:sc= 1.93 USER MOD Set 1.2: A 61 TYR OH : rot -148:sc= 0.887 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0.553 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0.609 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= -0.319 (180deg=-1.33) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.318 F(o=-1.3,f=-0.32) USER MOD Single : A 38 THR OG1 : rot -151:sc= -0.998 USER MOD Single : A 43 SER OG : rot 180:sc= -0.662 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 113:sc= -0.0971 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0.812 (180deg=0.713) USER MOD Single : A 53 MET CE :methyl -176:sc= -0.128 (180deg=-0.172) USER MOD Single : A 54 ASN : amide:sc= 0.0924 X(o=0.092,f=0) USER MOD Single : A 63 SER OG : rot 72:sc= 0.121 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 73 TYR OH : rot 96:sc= 0.125 USER MOD Single : A 74 TYR OH : rot 94:sc= 0.566 USER MOD Single : A 77 THR OG1 : rot -83:sc= 0.259 USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00281) USER MOD Single : A 79 ASN : amide:sc= 0.0117 K(o=0.012,f=-0.65) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -122:sc= 0.0527 USER MOD Single : A 83 SER OG : rot -80:sc= -0.248 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= -0.631 (180deg=-2.47!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 92 SER OG : rot -177:sc= -0.0288 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0.574 (180deg=0.558) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 97 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= 0.302 K(o=0.3,f=-0.47) USER MOD Single : A 102 SER OG : rot 160:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.168 -12.642 -7.062 1.00 52.42 N ATOM 323 CA ASP A 20 -11.002 -11.462 -7.385 1.00 64.32 C ATOM 324 C ASP A 20 -11.560 -10.787 -6.096 1.00 5.42 C ATOM 325 O ASP A 20 -11.555 -9.551 -5.978 1.00 44.40 O ATOM 326 CB ASP A 20 -12.152 -11.884 -8.339 1.00 11.12 C ATOM 327 CG ASP A 20 -12.826 -10.688 -9.031 1.00 74.32 C ATOM 328 OD1 ASP A 20 -12.322 -10.232 -10.081 1.00 13.43 O ATOM 329 OD2 ASP A 20 -13.849 -10.192 -8.532 1.00 74.23 O ATOM 0 HA ASP A 20 -10.379 -10.722 -7.887 1.00 64.32 H new ATOM 0 HB2 ASP A 20 -11.758 -12.561 -9.097 1.00 11.12 H new ATOM 0 HB3 ASP A 20 -12.901 -12.439 -7.774 1.00 11.12 H new ATOM 334 N LYS A 21 -12.016 -11.621 -5.122 1.00 2.04 N ATOM 335 CA LYS A 21 -12.476 -11.128 -3.797 1.00 71.14 C ATOM 336 C LYS A 21 -11.308 -10.536 -2.960 1.00 4.43 C ATOM 337 O LYS A 21 -11.515 -9.563 -2.228 1.00 63.42 O ATOM 338 CB LYS A 21 -13.176 -12.229 -2.961 1.00 45.41 C ATOM 339 CG LYS A 21 -14.542 -12.718 -3.482 1.00 10.33 C ATOM 340 CD LYS A 21 -15.258 -13.605 -2.430 1.00 61.35 C ATOM 341 CE LYS A 21 -16.566 -14.217 -2.942 1.00 53.41 C ATOM 342 NZ LYS A 21 -17.215 -15.066 -1.912 1.00 75.10 N ATOM 0 H LYS A 21 -12.074 -12.634 -5.230 1.00 2.04 H new ATOM 0 HA LYS A 21 -13.199 -10.343 -4.019 1.00 71.14 H new ATOM 0 HB2 LYS A 21 -12.507 -13.087 -2.897 1.00 45.41 H new ATOM 0 HB3 LYS A 21 -13.311 -11.854 -1.946 1.00 45.41 H new ATOM 0 HG2 LYS A 21 -15.169 -11.861 -3.726 1.00 10.33 H new ATOM 0 HG3 LYS A 21 -14.402 -13.283 -4.403 1.00 10.33 H new ATOM 0 HD2 LYS A 21 -14.586 -14.406 -2.123 1.00 61.35 H new ATOM 0 HD3 LYS A 21 -15.468 -13.007 -1.543 1.00 61.35 H new ATOM 0 HE2 LYS A 21 -17.248 -13.421 -3.240 1.00 53.41 H new ATOM 0 HE3 LYS A 21 -16.365 -14.814 -3.832 1.00 53.41 H new ATOM 0 HZ1 LYS A 21 -18.097 -15.463 -2.295 1.00 75.10 H new ATOM 0 HZ2 LYS A 21 -16.574 -15.840 -1.646 1.00 75.10 H new ATOM 0 HZ3 LYS A 21 -17.430 -14.491 -1.073 1.00 75.10 H new ATOM 356 N LYS A 22 -10.096 -11.150 -3.045 1.00 63.04 N ATOM 357 CA LYS A 22 -8.877 -10.622 -2.362 1.00 45.04 C ATOM 358 C LYS A 22 -8.534 -9.202 -2.862 1.00 21.55 C ATOM 359 O LYS A 22 -8.320 -8.299 -2.057 1.00 43.14 O ATOM 360 CB LYS A 22 -7.647 -11.569 -2.551 1.00 54.42 C ATOM 361 CG LYS A 22 -6.290 -10.934 -2.122 1.00 64.24 C ATOM 362 CD LYS A 22 -5.070 -11.895 -2.159 1.00 44.04 C ATOM 363 CE LYS A 22 -4.934 -12.762 -0.891 1.00 60.33 C ATOM 364 NZ LYS A 22 -6.013 -13.771 -0.737 1.00 64.13 N ATOM 0 H LYS A 22 -9.935 -12.006 -3.576 1.00 63.04 H new ATOM 0 HA LYS A 22 -9.104 -10.575 -1.297 1.00 45.04 H new ATOM 0 HB2 LYS A 22 -7.810 -12.479 -1.974 1.00 54.42 H new ATOM 0 HB3 LYS A 22 -7.584 -11.863 -3.599 1.00 54.42 H new ATOM 0 HG2 LYS A 22 -6.083 -10.084 -2.772 1.00 64.24 H new ATOM 0 HG3 LYS A 22 -6.394 -10.543 -1.110 1.00 64.24 H new ATOM 0 HD2 LYS A 22 -5.157 -12.547 -3.028 1.00 44.04 H new ATOM 0 HD3 LYS A 22 -4.160 -11.310 -2.289 1.00 44.04 H new ATOM 0 HE2 LYS A 22 -3.972 -13.273 -0.913 1.00 60.33 H new ATOM 0 HE3 LYS A 22 -4.930 -12.112 -0.016 1.00 60.33 H new ATOM 0 HZ1 LYS A 22 -5.669 -14.561 -0.155 1.00 64.13 H new ATOM 0 HZ2 LYS A 22 -6.835 -13.333 -0.274 1.00 64.13 H new ATOM 0 HZ3 LYS A 22 -6.292 -14.126 -1.674 1.00 64.13 H new ATOM 378 N ARG A 23 -8.488 -9.038 -4.197 1.00 55.41 N ATOM 379 CA ARG A 23 -8.231 -7.739 -4.857 1.00 73.42 C ATOM 380 C ARG A 23 -9.211 -6.647 -4.357 1.00 2.32 C ATOM 381 O ARG A 23 -8.792 -5.568 -3.932 1.00 14.34 O ATOM 382 CB ARG A 23 -8.344 -7.915 -6.392 1.00 51.50 C ATOM 383 CG ARG A 23 -8.173 -6.616 -7.216 1.00 24.04 C ATOM 384 CD ARG A 23 -8.462 -6.821 -8.717 1.00 42.15 C ATOM 385 NE ARG A 23 -9.793 -7.425 -8.969 1.00 5.02 N ATOM 386 CZ ARG A 23 -10.963 -6.821 -8.825 1.00 12.54 C ATOM 387 NH1 ARG A 23 -11.057 -5.608 -8.360 1.00 14.33 N ATOM 388 NH2 ARG A 23 -12.043 -7.448 -9.155 1.00 54.34 N ATOM 0 H ARG A 23 -8.629 -9.805 -4.854 1.00 55.41 H new ATOM 0 HA ARG A 23 -7.224 -7.410 -4.602 1.00 73.42 H new ATOM 0 HB2 ARG A 23 -7.592 -8.634 -6.716 1.00 51.50 H new ATOM 0 HB3 ARG A 23 -9.318 -8.347 -6.622 1.00 51.50 H new ATOM 0 HG2 ARG A 23 -8.842 -5.850 -6.823 1.00 24.04 H new ATOM 0 HG3 ARG A 23 -7.156 -6.244 -7.094 1.00 24.04 H new ATOM 0 HD2 ARG A 23 -8.401 -5.860 -9.228 1.00 42.15 H new ATOM 0 HD3 ARG A 23 -7.691 -7.460 -9.147 1.00 42.15 H new ATOM 0 HE ARG A 23 -9.809 -8.396 -9.282 1.00 5.02 H new ATOM 0 HH11 ARG A 23 -10.215 -5.097 -8.095 1.00 14.33 H new ATOM 0 HH12 ARG A 23 -11.973 -5.169 -8.261 1.00 14.33 H new ATOM 0 HH21 ARG A 23 -11.989 -8.398 -9.522 1.00 54.34 H new ATOM 0 HH22 ARG A 23 -12.950 -6.993 -9.048 1.00 54.34 H new ATOM 402 N ALA A 24 -10.514 -6.969 -4.375 1.00 64.23 N ATOM 403 CA ALA A 24 -11.581 -6.050 -3.914 1.00 54.13 C ATOM 404 C ALA A 24 -11.455 -5.702 -2.402 1.00 44.54 C ATOM 405 O ALA A 24 -11.674 -4.549 -2.001 1.00 22.02 O ATOM 406 CB ALA A 24 -12.950 -6.660 -4.214 1.00 63.23 C ATOM 0 H ALA A 24 -10.862 -7.868 -4.707 1.00 64.23 H new ATOM 0 HA ALA A 24 -11.470 -5.113 -4.460 1.00 54.13 H new ATOM 0 HB1 ALA A 24 -13.733 -5.982 -3.874 1.00 63.23 H new ATOM 0 HB2 ALA A 24 -13.050 -6.820 -5.288 1.00 63.23 H new ATOM 0 HB3 ALA A 24 -13.045 -7.614 -3.695 1.00 63.23 H new ATOM 412 N ARG A 25 -11.097 -6.717 -1.580 1.00 44.43 N ATOM 413 CA ARG A 25 -10.875 -6.550 -0.121 1.00 51.15 C ATOM 414 C ARG A 25 -9.681 -5.609 0.173 1.00 3.35 C ATOM 415 O ARG A 25 -9.763 -4.762 1.054 1.00 74.24 O ATOM 416 CB ARG A 25 -10.655 -7.929 0.573 1.00 73.30 C ATOM 417 CG ARG A 25 -10.210 -7.829 2.059 1.00 33.43 C ATOM 418 CD ARG A 25 -10.114 -9.184 2.780 1.00 63.04 C ATOM 419 NE ARG A 25 -9.253 -10.153 2.071 1.00 52.13 N ATOM 420 CZ ARG A 25 -8.081 -10.588 2.471 1.00 22.21 C ATOM 421 NH1 ARG A 25 -7.485 -10.098 3.517 1.00 12.00 N ATOM 422 NH2 ARG A 25 -7.510 -11.531 1.806 1.00 22.41 N ATOM 0 H ARG A 25 -10.954 -7.673 -1.907 1.00 44.43 H new ATOM 0 HA ARG A 25 -11.775 -6.091 0.289 1.00 51.15 H new ATOM 0 HB2 ARG A 25 -11.581 -8.502 0.520 1.00 73.30 H new ATOM 0 HB3 ARG A 25 -9.902 -8.488 0.017 1.00 73.30 H new ATOM 0 HG2 ARG A 25 -9.239 -7.337 2.103 1.00 33.43 H new ATOM 0 HG3 ARG A 25 -10.914 -7.193 2.596 1.00 33.43 H new ATOM 0 HD2 ARG A 25 -9.725 -9.028 3.786 1.00 63.04 H new ATOM 0 HD3 ARG A 25 -11.114 -9.605 2.887 1.00 63.04 H new ATOM 0 HE ARG A 25 -9.603 -10.519 1.186 1.00 52.13 H new ATOM 0 HH11 ARG A 25 -7.928 -9.353 4.054 1.00 12.00 H new ATOM 0 HH12 ARG A 25 -6.574 -10.459 3.801 1.00 12.00 H new ATOM 0 HH21 ARG A 25 -7.969 -11.926 0.985 1.00 22.41 H new ATOM 0 HH22 ARG A 25 -6.599 -11.883 2.100 1.00 22.41 H new ATOM 436 N LEU A 26 -8.580 -5.773 -0.580 1.00 4.33 N ATOM 437 CA LEU A 26 -7.355 -4.960 -0.407 1.00 42.02 C ATOM 438 C LEU A 26 -7.608 -3.475 -0.720 1.00 43.53 C ATOM 439 O LEU A 26 -7.177 -2.605 0.033 1.00 71.52 O ATOM 440 CB LEU A 26 -6.217 -5.502 -1.292 1.00 40.11 C ATOM 441 CG LEU A 26 -5.677 -6.909 -0.910 1.00 72.43 C ATOM 442 CD1 LEU A 26 -4.704 -7.424 -1.975 1.00 13.30 C ATOM 443 CD2 LEU A 26 -5.021 -6.877 0.483 1.00 25.50 C ATOM 0 H LEU A 26 -8.510 -6.468 -1.323 1.00 4.33 H new ATOM 0 HA LEU A 26 -7.059 -5.035 0.639 1.00 42.02 H new ATOM 0 HB2 LEU A 26 -6.568 -5.536 -2.323 1.00 40.11 H new ATOM 0 HB3 LEU A 26 -5.389 -4.794 -1.260 1.00 40.11 H new ATOM 0 HG LEU A 26 -6.517 -7.603 -0.867 1.00 72.43 H new ATOM 0 HD11 LEU A 26 -4.338 -8.410 -1.688 1.00 13.30 H new ATOM 0 HD12 LEU A 26 -5.217 -7.493 -2.934 1.00 13.30 H new ATOM 0 HD13 LEU A 26 -3.863 -6.736 -2.062 1.00 13.30 H new ATOM 0 HD21 LEU A 26 -4.649 -7.871 0.733 1.00 25.50 H new ATOM 0 HD22 LEU A 26 -4.192 -6.170 0.478 1.00 25.50 H new ATOM 0 HD23 LEU A 26 -5.757 -6.568 1.225 1.00 25.50 H new ATOM 455 N ILE A 27 -8.325 -3.202 -1.835 1.00 21.14 N ATOM 456 CA ILE A 27 -8.766 -1.830 -2.195 1.00 53.25 C ATOM 457 C ILE A 27 -9.593 -1.195 -1.039 1.00 63.11 C ATOM 458 O ILE A 27 -9.382 -0.038 -0.681 1.00 64.21 O ATOM 459 CB ILE A 27 -9.598 -1.818 -3.540 1.00 43.42 C ATOM 460 CG1 ILE A 27 -8.756 -2.401 -4.723 1.00 33.13 C ATOM 461 CG2 ILE A 27 -10.105 -0.389 -3.883 1.00 41.15 C ATOM 462 CD1 ILE A 27 -9.508 -2.580 -6.039 1.00 24.04 C ATOM 0 H ILE A 27 -8.612 -3.916 -2.505 1.00 21.14 H new ATOM 0 HA ILE A 27 -7.869 -1.231 -2.354 1.00 53.25 H new ATOM 0 HB ILE A 27 -10.470 -2.455 -3.391 1.00 43.42 H new ATOM 0 HG12 ILE A 27 -7.904 -1.744 -4.898 1.00 33.13 H new ATOM 0 HG13 ILE A 27 -8.356 -3.368 -4.419 1.00 33.13 H new ATOM 0 HG21 ILE A 27 -10.673 -0.418 -4.813 1.00 41.15 H new ATOM 0 HG22 ILE A 27 -10.745 -0.027 -3.078 1.00 41.15 H new ATOM 0 HG23 ILE A 27 -9.253 0.281 -3.998 1.00 41.15 H new ATOM 0 HD11 ILE A 27 -8.833 -2.989 -6.791 1.00 24.04 H new ATOM 0 HD12 ILE A 27 -10.344 -3.264 -5.890 1.00 24.04 H new ATOM 0 HD13 ILE A 27 -9.885 -1.615 -6.377 1.00 24.04 H new ATOM 474 N TYR A 28 -10.497 -1.996 -0.440 1.00 40.24 N ATOM 475 CA TYR A 28 -11.283 -1.587 0.753 1.00 0.23 C ATOM 476 C TYR A 28 -10.363 -1.259 1.973 1.00 62.01 C ATOM 477 O TYR A 28 -10.543 -0.231 2.621 1.00 72.03 O ATOM 478 CB TYR A 28 -12.311 -2.696 1.117 1.00 43.15 C ATOM 479 CG TYR A 28 -13.043 -2.488 2.459 1.00 52.33 C ATOM 480 CD1 TYR A 28 -13.924 -1.413 2.650 1.00 15.43 C ATOM 481 CD2 TYR A 28 -12.829 -3.349 3.543 1.00 74.45 C ATOM 482 CE1 TYR A 28 -14.566 -1.221 3.865 1.00 12.40 C ATOM 483 CE2 TYR A 28 -13.469 -3.156 4.750 1.00 0.11 C ATOM 484 CZ TYR A 28 -14.332 -2.096 4.911 1.00 11.31 C ATOM 485 OH TYR A 28 -14.962 -1.904 6.122 1.00 74.52 O ATOM 0 H TYR A 28 -10.706 -2.941 -0.763 1.00 40.24 H new ATOM 0 HA TYR A 28 -11.820 -0.672 0.504 1.00 0.23 H new ATOM 0 HB2 TYR A 28 -13.053 -2.759 0.321 1.00 43.15 H new ATOM 0 HB3 TYR A 28 -11.794 -3.655 1.147 1.00 43.15 H new ATOM 0 HD1 TYR A 28 -14.105 -0.724 1.838 1.00 15.43 H new ATOM 0 HD2 TYR A 28 -12.149 -4.181 3.432 1.00 74.45 H new ATOM 0 HE1 TYR A 28 -15.246 -0.392 3.994 1.00 12.40 H new ATOM 0 HE2 TYR A 28 -13.293 -3.837 5.569 1.00 0.11 H new ATOM 0 HH TYR A 28 -14.689 -2.607 6.748 1.00 74.52 H new ATOM 495 N GLN A 29 -9.376 -2.139 2.252 1.00 72.34 N ATOM 496 CA GLN A 29 -8.428 -1.978 3.398 1.00 53.44 C ATOM 497 C GLN A 29 -7.407 -0.829 3.158 1.00 2.12 C ATOM 498 O GLN A 29 -6.713 -0.395 4.082 1.00 45.40 O ATOM 499 CB GLN A 29 -7.666 -3.300 3.669 1.00 14.24 C ATOM 500 CG GLN A 29 -8.548 -4.519 3.993 1.00 15.33 C ATOM 501 CD GLN A 29 -7.720 -5.775 4.286 1.00 61.24 C ATOM 502 OE1 GLN A 29 -7.324 -6.505 3.254 1.00 3.51 O flip ATOM 503 NE2 GLN A 29 -7.401 -6.066 5.429 1.00 4.13 N flip ATOM 0 H GLN A 29 -9.207 -2.979 1.698 1.00 72.34 H new ATOM 0 HA GLN A 29 -9.029 -1.718 4.269 1.00 53.44 H new ATOM 0 HB2 GLN A 29 -7.059 -3.535 2.795 1.00 14.24 H new ATOM 0 HB3 GLN A 29 -6.979 -3.139 4.500 1.00 14.24 H new ATOM 0 HG2 GLN A 29 -9.176 -4.292 4.854 1.00 15.33 H new ATOM 0 HG3 GLN A 29 -9.216 -4.714 3.154 1.00 15.33 H new ATOM 0 HE21 GLN A 29 -7.717 -5.490 6.209 1.00 4.13 H new ATOM 0 HE22 GLN A 29 -6.819 -6.885 5.603 1.00 4.13 H new ATOM 512 N SER A 30 -7.301 -0.389 1.900 1.00 24.01 N ATOM 513 CA SER A 30 -6.502 0.790 1.499 1.00 40.15 C ATOM 514 C SER A 30 -7.253 2.096 1.805 1.00 34.22 C ATOM 515 O SER A 30 -6.662 3.089 2.242 1.00 50.13 O ATOM 516 CB SER A 30 -6.194 0.712 -0.003 1.00 23.21 C ATOM 517 OG SER A 30 -5.516 -0.484 -0.315 1.00 61.41 O ATOM 0 H SER A 30 -7.771 -0.842 1.116 1.00 24.01 H new ATOM 0 HA SER A 30 -5.573 0.788 2.069 1.00 40.15 H new ATOM 0 HB2 SER A 30 -7.122 0.768 -0.572 1.00 23.21 H new ATOM 0 HB3 SER A 30 -5.586 1.567 -0.299 1.00 23.21 H new ATOM 0 HG SER A 30 -6.148 -1.233 -0.295 1.00 61.41 H new ATOM 523 N ARG A 31 -8.570 2.071 1.544 1.00 12.34 N ATOM 524 CA ARG A 31 -9.486 3.189 1.856 1.00 12.44 C ATOM 525 C ARG A 31 -9.880 3.176 3.353 1.00 62.22 C ATOM 526 O ARG A 31 -10.440 4.146 3.870 1.00 61.21 O ATOM 527 CB ARG A 31 -10.741 3.102 0.945 1.00 3.22 C ATOM 528 CG ARG A 31 -10.409 2.956 -0.560 1.00 11.10 C ATOM 529 CD ARG A 31 -11.631 3.108 -1.483 1.00 22.31 C ATOM 530 NE ARG A 31 -12.088 4.510 -1.569 1.00 22.22 N ATOM 531 CZ ARG A 31 -13.270 4.904 -1.993 1.00 24.51 C ATOM 532 NH1 ARG A 31 -14.208 4.052 -2.279 1.00 65.21 N ATOM 533 NH2 ARG A 31 -13.513 6.168 -2.107 1.00 54.31 N ATOM 0 H ARG A 31 -9.035 1.274 1.109 1.00 12.34 H new ATOM 0 HA ARG A 31 -8.976 4.133 1.661 1.00 12.44 H new ATOM 0 HB2 ARG A 31 -11.348 2.253 1.258 1.00 3.22 H new ATOM 0 HB3 ARG A 31 -11.346 3.997 1.089 1.00 3.22 H new ATOM 0 HG2 ARG A 31 -9.664 3.704 -0.832 1.00 11.10 H new ATOM 0 HG3 ARG A 31 -9.956 1.979 -0.730 1.00 11.10 H new ATOM 0 HD2 ARG A 31 -11.379 2.747 -2.480 1.00 22.31 H new ATOM 0 HD3 ARG A 31 -12.444 2.483 -1.114 1.00 22.31 H new ATOM 0 HE ARG A 31 -11.432 5.234 -1.275 1.00 22.22 H new ATOM 0 HH11 ARG A 31 -14.037 3.052 -2.177 1.00 65.21 H new ATOM 0 HH12 ARG A 31 -15.116 4.383 -2.606 1.00 65.21 H new ATOM 0 HH21 ARG A 31 -12.792 6.849 -1.869 1.00 54.31 H new ATOM 0 HH22 ARG A 31 -14.426 6.484 -2.435 1.00 54.31 H new ATOM 547 N LYS A 32 -9.602 2.042 4.031 1.00 1.12 N ATOM 548 CA LYS A 32 -9.714 1.918 5.494 1.00 34.42 C ATOM 549 C LYS A 32 -8.371 2.388 6.101 1.00 23.55 C ATOM 550 O LYS A 32 -7.348 1.714 5.932 1.00 3.12 O ATOM 551 CB LYS A 32 -9.990 0.419 5.862 1.00 34.24 C ATOM 552 CG LYS A 32 -10.745 0.181 7.192 1.00 21.41 C ATOM 553 CD LYS A 32 -12.269 0.392 7.047 1.00 62.30 C ATOM 554 CE LYS A 32 -13.035 0.117 8.349 1.00 35.22 C ATOM 555 NZ LYS A 32 -14.504 0.232 8.162 1.00 22.20 N ATOM 0 H LYS A 32 -9.292 1.185 3.573 1.00 1.12 H new ATOM 0 HA LYS A 32 -10.532 2.523 5.884 1.00 34.42 H new ATOM 0 HB2 LYS A 32 -10.564 -0.034 5.054 1.00 34.24 H new ATOM 0 HB3 LYS A 32 -9.036 -0.106 5.909 1.00 34.24 H new ATOM 0 HG2 LYS A 32 -10.552 -0.834 7.540 1.00 21.41 H new ATOM 0 HG3 LYS A 32 -10.358 0.858 7.953 1.00 21.41 H new ATOM 0 HD2 LYS A 32 -12.460 1.416 6.728 1.00 62.30 H new ATOM 0 HD3 LYS A 32 -12.649 -0.263 6.262 1.00 62.30 H new ATOM 0 HE2 LYS A 32 -12.792 -0.883 8.709 1.00 35.22 H new ATOM 0 HE3 LYS A 32 -12.711 0.820 9.116 1.00 35.22 H new ATOM 0 HZ1 LYS A 32 -14.985 0.039 9.064 1.00 22.20 H new ATOM 0 HZ2 LYS A 32 -14.739 1.194 7.843 1.00 22.20 H new ATOM 0 HZ3 LYS A 32 -14.818 -0.456 7.448 1.00 22.20 H new ATOM 569 N ARG A 33 -8.366 3.536 6.800 1.00 12.41 N ATOM 570 CA ARG A 33 -7.103 4.156 7.277 1.00 54.11 C ATOM 571 C ARG A 33 -7.340 5.041 8.529 1.00 21.31 C ATOM 572 O ARG A 33 -8.426 5.624 8.704 1.00 2.22 O ATOM 573 CB ARG A 33 -6.453 4.980 6.110 1.00 52.40 C ATOM 574 CG ARG A 33 -4.920 4.807 5.928 1.00 12.00 C ATOM 575 CD ARG A 33 -4.484 3.359 5.544 1.00 13.32 C ATOM 576 NE ARG A 33 -4.086 2.551 6.721 1.00 1.30 N ATOM 577 CZ ARG A 33 -4.021 1.235 6.770 1.00 41.00 C ATOM 578 NH1 ARG A 33 -4.501 0.495 5.824 1.00 24.23 N ATOM 579 NH2 ARG A 33 -3.508 0.666 7.814 1.00 51.50 N ATOM 0 H ARG A 33 -9.209 4.054 7.049 1.00 12.41 H new ATOM 0 HA ARG A 33 -6.416 3.365 7.578 1.00 54.11 H new ATOM 0 HB2 ARG A 33 -6.944 4.701 5.177 1.00 52.40 H new ATOM 0 HB3 ARG A 33 -6.662 6.037 6.277 1.00 52.40 H new ATOM 0 HG2 ARG A 33 -4.577 5.495 5.156 1.00 12.00 H new ATOM 0 HG3 ARG A 33 -4.420 5.092 6.854 1.00 12.00 H new ATOM 0 HD2 ARG A 33 -5.305 2.862 5.028 1.00 13.32 H new ATOM 0 HD3 ARG A 33 -3.650 3.409 4.844 1.00 13.32 H new ATOM 0 HE ARG A 33 -3.840 3.059 7.570 1.00 1.30 H new ATOM 0 HH11 ARG A 33 -4.944 0.927 5.013 1.00 24.23 H new ATOM 0 HH12 ARG A 33 -4.437 -0.521 5.889 1.00 24.23 H new ATOM 0 HH21 ARG A 33 -3.160 1.235 8.586 1.00 51.50 H new ATOM 0 HH22 ARG A 33 -3.452 -0.351 7.865 1.00 51.50 H new ATOM 593 N GLY A 34 -6.307 5.135 9.383 1.00 24.31 N ATOM 594 CA GLY A 34 -6.316 6.007 10.564 1.00 15.24 C ATOM 595 C GLY A 34 -6.167 7.497 10.233 1.00 65.14 C ATOM 596 O GLY A 34 -6.846 8.342 10.830 1.00 32.40 O ATOM 0 H GLY A 34 -5.442 4.606 9.271 1.00 24.31 H new ATOM 0 HA2 GLY A 34 -7.248 5.857 11.108 1.00 15.24 H new ATOM 0 HA3 GLY A 34 -5.506 5.709 11.230 1.00 15.24 H new ATOM 600 N ILE A 35 -5.262 7.828 9.289 1.00 44.52 N ATOM 601 CA ILE A 35 -5.035 9.228 8.846 1.00 53.23 C ATOM 602 C ILE A 35 -5.403 9.416 7.357 1.00 44.40 C ATOM 603 O ILE A 35 -5.353 8.467 6.566 1.00 72.13 O ATOM 604 CB ILE A 35 -3.544 9.687 9.067 1.00 64.33 C ATOM 605 CG1 ILE A 35 -2.562 8.862 8.175 1.00 72.53 C ATOM 606 CG2 ILE A 35 -3.158 9.596 10.562 1.00 44.01 C ATOM 607 CD1 ILE A 35 -1.115 9.301 8.238 1.00 20.40 C ATOM 0 H ILE A 35 -4.672 7.145 8.814 1.00 44.52 H new ATOM 0 HA ILE A 35 -5.686 9.848 9.462 1.00 53.23 H new ATOM 0 HB ILE A 35 -3.463 10.731 8.764 1.00 64.33 H new ATOM 0 HG12 ILE A 35 -2.621 7.814 8.470 1.00 72.53 H new ATOM 0 HG13 ILE A 35 -2.899 8.921 7.140 1.00 72.53 H new ATOM 0 HG21 ILE A 35 -2.125 9.918 10.691 1.00 44.01 H new ATOM 0 HG22 ILE A 35 -3.814 10.240 11.147 1.00 44.01 H new ATOM 0 HG23 ILE A 35 -3.263 8.566 10.903 1.00 44.01 H new ATOM 0 HD11 ILE A 35 -0.514 8.668 7.585 1.00 20.40 H new ATOM 0 HD12 ILE A 35 -1.035 10.338 7.912 1.00 20.40 H new ATOM 0 HD13 ILE A 35 -0.753 9.214 9.262 1.00 20.40 H new ATOM 619 N LEU A 36 -5.754 10.665 6.996 1.00 2.15 N ATOM 620 CA LEU A 36 -6.124 11.058 5.612 1.00 13.00 C ATOM 621 C LEU A 36 -4.903 11.125 4.661 1.00 50.50 C ATOM 622 O LEU A 36 -5.057 10.980 3.442 1.00 51.04 O ATOM 623 CB LEU A 36 -6.905 12.411 5.610 1.00 71.31 C ATOM 624 CG LEU A 36 -8.372 12.374 6.163 1.00 13.00 C ATOM 625 CD1 LEU A 36 -9.219 11.315 5.424 1.00 42.15 C ATOM 626 CD2 LEU A 36 -8.422 12.180 7.697 1.00 51.24 C ATOM 0 H LEU A 36 -5.791 11.440 7.658 1.00 2.15 H new ATOM 0 HA LEU A 36 -6.777 10.275 5.227 1.00 13.00 H new ATOM 0 HB2 LEU A 36 -6.337 13.133 6.197 1.00 71.31 H new ATOM 0 HB3 LEU A 36 -6.936 12.786 4.587 1.00 71.31 H new ATOM 0 HG LEU A 36 -8.812 13.351 5.964 1.00 13.00 H new ATOM 0 HD11 LEU A 36 -10.231 11.312 5.828 1.00 42.15 H new ATOM 0 HD12 LEU A 36 -9.254 11.554 4.361 1.00 42.15 H new ATOM 0 HD13 LEU A 36 -8.771 10.331 5.560 1.00 42.15 H new ATOM 0 HD21 LEU A 36 -9.460 12.162 8.028 1.00 51.24 H new ATOM 0 HD22 LEU A 36 -7.940 11.238 7.961 1.00 51.24 H new ATOM 0 HD23 LEU A 36 -7.900 13.003 8.185 1.00 51.24 H new ATOM 638 N GLU A 37 -3.700 11.332 5.223 1.00 63.24 N ATOM 639 CA GLU A 37 -2.447 11.405 4.431 1.00 72.12 C ATOM 640 C GLU A 37 -2.134 10.055 3.742 1.00 31.24 C ATOM 641 O GLU A 37 -1.927 9.986 2.522 1.00 64.10 O ATOM 642 CB GLU A 37 -1.266 11.835 5.343 1.00 23.31 C ATOM 643 CG GLU A 37 -1.431 13.212 6.021 1.00 14.14 C ATOM 644 CD GLU A 37 -1.629 14.355 5.009 1.00 32.50 C ATOM 645 OE1 GLU A 37 -0.628 14.818 4.414 1.00 10.11 O ATOM 646 OE2 GLU A 37 -2.788 14.780 4.779 1.00 21.11 O ATOM 0 H GLU A 37 -3.562 11.453 6.226 1.00 63.24 H new ATOM 0 HA GLU A 37 -2.584 12.151 3.649 1.00 72.12 H new ATOM 0 HB2 GLU A 37 -1.131 11.080 6.117 1.00 23.31 H new ATOM 0 HB3 GLU A 37 -0.353 11.847 4.748 1.00 23.31 H new ATOM 0 HG2 GLU A 37 -2.286 13.179 6.697 1.00 14.14 H new ATOM 0 HG3 GLU A 37 -0.551 13.420 6.630 1.00 14.14 H new ATOM 653 N THR A 38 -2.109 8.987 4.550 1.00 14.35 N ATOM 654 CA THR A 38 -1.902 7.598 4.076 1.00 52.02 C ATOM 655 C THR A 38 -3.153 7.062 3.343 1.00 53.44 C ATOM 656 O THR A 38 -3.042 6.194 2.473 1.00 31.20 O ATOM 657 CB THR A 38 -1.522 6.663 5.261 1.00 62.21 C ATOM 658 OG1 THR A 38 -0.395 7.221 5.935 1.00 5.43 O ATOM 659 CG2 THR A 38 -1.179 5.229 4.821 1.00 14.31 C ATOM 0 H THR A 38 -2.232 9.055 5.560 1.00 14.35 H new ATOM 0 HA THR A 38 -1.076 7.610 3.365 1.00 52.02 H new ATOM 0 HB THR A 38 -2.393 6.595 5.913 1.00 62.21 H new ATOM 0 HG1 THR A 38 0.130 6.502 6.345 1.00 5.43 H new ATOM 0 HG21 THR A 38 -0.924 4.631 5.696 1.00 14.31 H new ATOM 0 HG22 THR A 38 -2.039 4.787 4.318 1.00 14.31 H new ATOM 0 HG23 THR A 38 -0.331 5.251 4.137 1.00 14.31 H new ATOM 667 N ASP A 39 -4.340 7.561 3.744 1.00 33.13 N ATOM 668 CA ASP A 39 -5.631 7.206 3.112 1.00 41.20 C ATOM 669 C ASP A 39 -5.626 7.478 1.588 1.00 44.41 C ATOM 670 O ASP A 39 -5.816 6.564 0.802 1.00 71.20 O ATOM 671 CB ASP A 39 -6.780 7.985 3.794 1.00 70.45 C ATOM 672 CG ASP A 39 -8.162 7.662 3.218 1.00 22.15 C ATOM 673 OD1 ASP A 39 -8.683 6.562 3.496 1.00 2.44 O ATOM 674 OD2 ASP A 39 -8.732 8.500 2.482 1.00 2.34 O ATOM 0 H ASP A 39 -4.432 8.222 4.515 1.00 33.13 H new ATOM 0 HA ASP A 39 -5.785 6.136 3.248 1.00 41.20 H new ATOM 0 HB2 ASP A 39 -6.778 7.760 4.861 1.00 70.45 H new ATOM 0 HB3 ASP A 39 -6.594 9.054 3.693 1.00 70.45 H new ATOM 679 N LEU A 40 -5.385 8.743 1.199 1.00 10.11 N ATOM 680 CA LEU A 40 -5.364 9.168 -0.228 1.00 41.51 C ATOM 681 C LEU A 40 -4.175 8.529 -1.003 1.00 60.21 C ATOM 682 O LEU A 40 -4.247 8.325 -2.227 1.00 63.35 O ATOM 683 CB LEU A 40 -5.318 10.721 -0.310 1.00 65.11 C ATOM 684 CG LEU A 40 -6.480 11.468 0.429 1.00 22.00 C ATOM 685 CD1 LEU A 40 -6.358 13.001 0.283 1.00 74.42 C ATOM 686 CD2 LEU A 40 -7.867 10.961 -0.038 1.00 1.44 C ATOM 0 H LEU A 40 -5.199 9.502 1.855 1.00 10.11 H new ATOM 0 HA LEU A 40 -6.277 8.814 -0.706 1.00 41.51 H new ATOM 0 HB2 LEU A 40 -4.369 11.062 0.104 1.00 65.11 H new ATOM 0 HB3 LEU A 40 -5.331 11.013 -1.360 1.00 65.11 H new ATOM 0 HG LEU A 40 -6.388 11.238 1.490 1.00 22.00 H new ATOM 0 HD11 LEU A 40 -7.182 13.483 0.809 1.00 74.42 H new ATOM 0 HD12 LEU A 40 -5.411 13.333 0.709 1.00 74.42 H new ATOM 0 HD13 LEU A 40 -6.394 13.270 -0.773 1.00 74.42 H new ATOM 0 HD21 LEU A 40 -8.650 11.501 0.495 1.00 1.44 H new ATOM 0 HD22 LEU A 40 -7.974 11.130 -1.109 1.00 1.44 H new ATOM 0 HD23 LEU A 40 -7.954 9.895 0.171 1.00 1.44 H new ATOM 698 N LEU A 41 -3.090 8.222 -0.268 1.00 54.32 N ATOM 699 CA LEU A 41 -1.902 7.516 -0.805 1.00 51.35 C ATOM 700 C LEU A 41 -2.251 6.067 -1.259 1.00 31.13 C ATOM 701 O LEU A 41 -2.103 5.725 -2.439 1.00 22.05 O ATOM 702 CB LEU A 41 -0.790 7.498 0.282 1.00 35.20 C ATOM 703 CG LEU A 41 0.537 6.746 -0.065 1.00 71.13 C ATOM 704 CD1 LEU A 41 1.276 7.401 -1.256 1.00 0.11 C ATOM 705 CD2 LEU A 41 1.447 6.637 1.180 1.00 71.45 C ATOM 0 H LEU A 41 -3.008 8.456 0.721 1.00 54.32 H new ATOM 0 HA LEU A 41 -1.547 8.049 -1.687 1.00 51.35 H new ATOM 0 HB2 LEU A 41 -0.539 8.530 0.526 1.00 35.20 H new ATOM 0 HB3 LEU A 41 -1.207 7.049 1.184 1.00 35.20 H new ATOM 0 HG LEU A 41 0.273 5.736 -0.377 1.00 71.13 H new ATOM 0 HD11 LEU A 41 2.192 6.848 -1.464 1.00 0.11 H new ATOM 0 HD12 LEU A 41 0.634 7.384 -2.137 1.00 0.11 H new ATOM 0 HD13 LEU A 41 1.524 8.433 -1.007 1.00 0.11 H new ATOM 0 HD21 LEU A 41 2.364 6.111 0.915 1.00 71.45 H new ATOM 0 HD22 LEU A 41 1.693 7.636 1.539 1.00 71.45 H new ATOM 0 HD23 LEU A 41 0.926 6.087 1.964 1.00 71.45 H new ATOM 717 N LEU A 42 -2.742 5.247 -0.311 1.00 0.14 N ATOM 718 CA LEU A 42 -3.058 3.816 -0.543 1.00 21.42 C ATOM 719 C LEU A 42 -4.363 3.604 -1.341 1.00 40.33 C ATOM 720 O LEU A 42 -4.467 2.632 -2.079 1.00 54.42 O ATOM 721 CB LEU A 42 -3.113 3.047 0.807 1.00 35.50 C ATOM 722 CG LEU A 42 -1.755 2.927 1.577 1.00 54.45 C ATOM 723 CD1 LEU A 42 -1.922 2.142 2.896 1.00 42.32 C ATOM 724 CD2 LEU A 42 -0.657 2.298 0.685 1.00 74.03 C ATOM 0 H LEU A 42 -2.933 5.555 0.642 1.00 0.14 H new ATOM 0 HA LEU A 42 -2.252 3.414 -1.157 1.00 21.42 H new ATOM 0 HB2 LEU A 42 -3.835 3.542 1.457 1.00 35.50 H new ATOM 0 HB3 LEU A 42 -3.491 2.043 0.617 1.00 35.50 H new ATOM 0 HG LEU A 42 -1.434 3.936 1.834 1.00 54.45 H new ATOM 0 HD11 LEU A 42 -0.960 2.077 3.405 1.00 42.32 H new ATOM 0 HD12 LEU A 42 -2.638 2.656 3.537 1.00 42.32 H new ATOM 0 HD13 LEU A 42 -2.285 1.138 2.678 1.00 42.32 H new ATOM 0 HD21 LEU A 42 0.274 2.228 1.248 1.00 74.03 H new ATOM 0 HD22 LEU A 42 -0.968 1.301 0.374 1.00 74.03 H new ATOM 0 HD23 LEU A 42 -0.502 2.921 -0.196 1.00 74.03 H new ATOM 736 N SER A 43 -5.359 4.496 -1.171 1.00 42.43 N ATOM 737 CA SER A 43 -6.656 4.422 -1.914 1.00 21.53 C ATOM 738 C SER A 43 -6.430 4.582 -3.433 1.00 42.43 C ATOM 739 O SER A 43 -6.950 3.800 -4.240 1.00 0.44 O ATOM 740 CB SER A 43 -7.643 5.506 -1.416 1.00 3.23 C ATOM 741 OG SER A 43 -8.893 5.450 -2.098 1.00 75.24 O ATOM 0 H SER A 43 -5.300 5.283 -0.525 1.00 42.43 H new ATOM 0 HA SER A 43 -7.088 3.440 -1.723 1.00 21.53 H new ATOM 0 HB2 SER A 43 -7.809 5.380 -0.346 1.00 3.23 H new ATOM 0 HB3 SER A 43 -7.199 6.491 -1.556 1.00 3.23 H new ATOM 0 HG SER A 43 -9.486 6.149 -1.752 1.00 75.24 H new ATOM 747 N GLY A 44 -5.626 5.602 -3.795 1.00 20.13 N ATOM 748 CA GLY A 44 -5.220 5.829 -5.187 1.00 64.31 C ATOM 749 C GLY A 44 -4.307 4.720 -5.731 1.00 35.11 C ATOM 750 O GLY A 44 -4.434 4.310 -6.887 1.00 34.10 O ATOM 0 H GLY A 44 -5.246 6.281 -3.136 1.00 20.13 H new ATOM 0 HA2 GLY A 44 -6.110 5.900 -5.813 1.00 64.31 H new ATOM 0 HA3 GLY A 44 -4.703 6.786 -5.258 1.00 64.31 H new ATOM 754 N PHE A 45 -3.382 4.246 -4.875 1.00 1.33 N ATOM 755 CA PHE A 45 -2.444 3.146 -5.201 1.00 12.13 C ATOM 756 C PHE A 45 -3.204 1.835 -5.514 1.00 55.10 C ATOM 757 O PHE A 45 -2.863 1.116 -6.447 1.00 3.25 O ATOM 758 CB PHE A 45 -1.457 2.936 -4.019 1.00 52.43 C ATOM 759 CG PHE A 45 -0.357 1.904 -4.275 1.00 24.41 C ATOM 760 CD1 PHE A 45 0.849 2.272 -4.865 1.00 21.12 C ATOM 761 CD2 PHE A 45 -0.527 0.563 -3.928 1.00 52.03 C ATOM 762 CE1 PHE A 45 1.835 1.336 -5.097 1.00 64.21 C ATOM 763 CE2 PHE A 45 0.463 -0.368 -4.163 1.00 42.44 C ATOM 764 CZ PHE A 45 1.646 0.019 -4.747 1.00 71.45 C ATOM 0 H PHE A 45 -3.261 4.615 -3.932 1.00 1.33 H new ATOM 0 HA PHE A 45 -1.883 3.421 -6.094 1.00 12.13 H new ATOM 0 HB2 PHE A 45 -0.990 3.892 -3.780 1.00 52.43 H new ATOM 0 HB3 PHE A 45 -2.025 2.630 -3.140 1.00 52.43 H new ATOM 0 HD1 PHE A 45 1.014 3.302 -5.144 1.00 21.12 H new ATOM 0 HD2 PHE A 45 -1.451 0.248 -3.467 1.00 52.03 H new ATOM 0 HE1 PHE A 45 2.764 1.640 -5.557 1.00 64.21 H new ATOM 0 HE2 PHE A 45 0.309 -1.401 -3.888 1.00 42.44 H new ATOM 0 HZ PHE A 45 2.424 -0.708 -4.930 1.00 71.45 H new ATOM 774 N ALA A 46 -4.240 1.552 -4.721 1.00 55.32 N ATOM 775 CA ALA A 46 -5.038 0.320 -4.847 1.00 14.50 C ATOM 776 C ALA A 46 -5.916 0.315 -6.115 1.00 20.04 C ATOM 777 O ALA A 46 -6.044 -0.711 -6.795 1.00 21.40 O ATOM 778 CB ALA A 46 -5.891 0.115 -3.597 1.00 51.25 C ATOM 0 H ALA A 46 -4.553 2.168 -3.971 1.00 55.32 H new ATOM 0 HA ALA A 46 -4.340 -0.512 -4.944 1.00 14.50 H new ATOM 0 HB1 ALA A 46 -6.476 -0.799 -3.702 1.00 51.25 H new ATOM 0 HB2 ALA A 46 -5.243 0.033 -2.724 1.00 51.25 H new ATOM 0 HB3 ALA A 46 -6.563 0.964 -3.472 1.00 51.25 H new ATOM 784 N ALA A 47 -6.501 1.476 -6.423 1.00 3.34 N ATOM 785 CA ALA A 47 -7.354 1.664 -7.617 1.00 0.21 C ATOM 786 C ALA A 47 -6.537 1.613 -8.937 1.00 74.24 C ATOM 787 O ALA A 47 -7.074 1.304 -10.001 1.00 54.23 O ATOM 788 CB ALA A 47 -8.095 3.001 -7.499 1.00 31.14 C ATOM 0 H ALA A 47 -6.401 2.318 -5.856 1.00 3.34 H new ATOM 0 HA ALA A 47 -8.069 0.842 -7.656 1.00 0.21 H new ATOM 0 HB1 ALA A 47 -8.726 3.146 -8.376 1.00 31.14 H new ATOM 0 HB2 ALA A 47 -8.715 2.995 -6.603 1.00 31.14 H new ATOM 0 HB3 ALA A 47 -7.371 3.814 -7.434 1.00 31.14 H new ATOM 794 N LYS A 48 -5.244 1.949 -8.849 1.00 14.05 N ATOM 795 CA LYS A 48 -4.329 2.004 -10.012 1.00 23.41 C ATOM 796 C LYS A 48 -3.572 0.661 -10.251 1.00 71.34 C ATOM 797 O LYS A 48 -3.608 0.100 -11.349 1.00 74.40 O ATOM 798 CB LYS A 48 -3.326 3.157 -9.784 1.00 34.51 C ATOM 799 CG LYS A 48 -2.472 3.537 -11.011 1.00 34.12 C ATOM 800 CD LYS A 48 -1.602 4.775 -10.730 1.00 73.11 C ATOM 801 CE LYS A 48 -0.910 5.328 -11.978 1.00 74.40 C ATOM 802 NZ LYS A 48 0.126 4.404 -12.516 1.00 43.14 N ATOM 0 H LYS A 48 -4.794 2.193 -7.967 1.00 14.05 H new ATOM 0 HA LYS A 48 -4.923 2.179 -10.909 1.00 23.41 H new ATOM 0 HB2 LYS A 48 -3.878 4.039 -9.459 1.00 34.51 H new ATOM 0 HB3 LYS A 48 -2.658 2.880 -8.968 1.00 34.51 H new ATOM 0 HG2 LYS A 48 -1.834 2.697 -11.286 1.00 34.12 H new ATOM 0 HG3 LYS A 48 -3.124 3.734 -11.862 1.00 34.12 H new ATOM 0 HD2 LYS A 48 -2.225 5.556 -10.293 1.00 73.11 H new ATOM 0 HD3 LYS A 48 -0.846 4.518 -9.988 1.00 73.11 H new ATOM 0 HE2 LYS A 48 -1.657 5.518 -12.749 1.00 74.40 H new ATOM 0 HE3 LYS A 48 -0.448 6.286 -11.738 1.00 74.40 H new ATOM 0 HZ1 LYS A 48 0.563 4.826 -13.360 1.00 43.14 H new ATOM 0 HZ2 LYS A 48 0.855 4.241 -11.793 1.00 43.14 H new ATOM 0 HZ3 LYS A 48 -0.316 3.498 -12.772 1.00 43.14 H new ATOM 816 N TYR A 49 -2.888 0.170 -9.200 1.00 12.14 N ATOM 817 CA TYR A 49 -1.904 -0.944 -9.282 1.00 75.31 C ATOM 818 C TYR A 49 -2.544 -2.352 -9.274 1.00 30.24 C ATOM 819 O TYR A 49 -2.163 -3.194 -10.093 1.00 53.44 O ATOM 820 CB TYR A 49 -0.861 -0.812 -8.141 1.00 44.10 C ATOM 821 CG TYR A 49 0.162 0.312 -8.369 1.00 74.13 C ATOM 822 CD1 TYR A 49 -0.210 1.659 -8.331 1.00 63.14 C ATOM 823 CD2 TYR A 49 1.500 0.021 -8.635 1.00 20.34 C ATOM 824 CE1 TYR A 49 0.711 2.665 -8.546 1.00 60.13 C ATOM 825 CE2 TYR A 49 2.421 1.024 -8.850 1.00 52.04 C ATOM 826 CZ TYR A 49 2.024 2.343 -8.807 1.00 33.31 C ATOM 827 OH TYR A 49 2.949 3.344 -9.014 1.00 22.51 O ATOM 0 H TYR A 49 -3.000 0.536 -8.254 1.00 12.14 H new ATOM 0 HA TYR A 49 -1.414 -0.850 -10.251 1.00 75.31 H new ATOM 0 HB2 TYR A 49 -1.384 -0.631 -7.202 1.00 44.10 H new ATOM 0 HB3 TYR A 49 -0.331 -1.758 -8.034 1.00 44.10 H new ATOM 0 HD1 TYR A 49 -1.239 1.918 -8.129 1.00 63.14 H new ATOM 0 HD2 TYR A 49 1.821 -1.010 -8.673 1.00 20.34 H new ATOM 0 HE1 TYR A 49 0.403 3.699 -8.510 1.00 60.13 H new ATOM 0 HE2 TYR A 49 3.453 0.776 -9.052 1.00 52.04 H new ATOM 0 HH TYR A 49 3.596 3.349 -8.278 1.00 22.51 H new ATOM 837 N LEU A 50 -3.509 -2.604 -8.355 1.00 10.33 N ATOM 838 CA LEU A 50 -4.178 -3.950 -8.220 1.00 31.32 C ATOM 839 C LEU A 50 -4.804 -4.472 -9.541 1.00 32.01 C ATOM 840 O LEU A 50 -5.078 -5.673 -9.676 1.00 73.42 O ATOM 841 CB LEU A 50 -5.244 -3.960 -7.085 1.00 62.43 C ATOM 842 CG LEU A 50 -4.701 -4.216 -5.647 1.00 21.21 C ATOM 843 CD1 LEU A 50 -3.895 -3.041 -5.101 1.00 33.53 C ATOM 844 CD2 LEU A 50 -5.827 -4.598 -4.682 1.00 70.42 C ATOM 0 H LEU A 50 -3.849 -1.906 -7.694 1.00 10.33 H new ATOM 0 HA LEU A 50 -3.373 -4.636 -7.956 1.00 31.32 H new ATOM 0 HB2 LEU A 50 -5.763 -3.002 -7.092 1.00 62.43 H new ATOM 0 HB3 LEU A 50 -5.985 -4.726 -7.315 1.00 62.43 H new ATOM 0 HG LEU A 50 -4.016 -5.060 -5.727 1.00 21.21 H new ATOM 0 HD11 LEU A 50 -3.543 -3.277 -4.097 1.00 33.53 H new ATOM 0 HD12 LEU A 50 -3.040 -2.853 -5.751 1.00 33.53 H new ATOM 0 HD13 LEU A 50 -4.526 -2.153 -5.065 1.00 33.53 H new ATOM 0 HD21 LEU A 50 -5.412 -4.769 -3.689 1.00 70.42 H new ATOM 0 HD22 LEU A 50 -6.557 -3.790 -4.636 1.00 70.42 H new ATOM 0 HD23 LEU A 50 -6.314 -5.507 -5.033 1.00 70.42 H new ATOM 856 N LYS A 51 -5.058 -3.547 -10.476 1.00 24.43 N ATOM 857 CA LYS A 51 -5.542 -3.859 -11.834 1.00 72.03 C ATOM 858 C LYS A 51 -4.609 -4.865 -12.584 1.00 33.15 C ATOM 859 O LYS A 51 -5.093 -5.778 -13.262 1.00 61.55 O ATOM 860 CB LYS A 51 -5.647 -2.543 -12.641 1.00 2.41 C ATOM 861 CG LYS A 51 -6.576 -1.467 -12.034 1.00 12.21 C ATOM 862 CD LYS A 51 -8.068 -1.879 -12.017 1.00 21.14 C ATOM 863 CE LYS A 51 -8.970 -0.771 -11.443 1.00 53.21 C ATOM 864 NZ LYS A 51 -10.402 -1.131 -11.474 1.00 24.52 N ATOM 0 H LYS A 51 -4.933 -2.548 -10.312 1.00 24.43 H new ATOM 0 HA LYS A 51 -6.518 -4.336 -11.742 1.00 72.03 H new ATOM 0 HB2 LYS A 51 -4.648 -2.120 -12.745 1.00 2.41 H new ATOM 0 HB3 LYS A 51 -6.000 -2.779 -13.645 1.00 2.41 H new ATOM 0 HG2 LYS A 51 -6.254 -1.254 -11.015 1.00 12.21 H new ATOM 0 HG3 LYS A 51 -6.469 -0.543 -12.602 1.00 12.21 H new ATOM 0 HD2 LYS A 51 -8.389 -2.118 -13.031 1.00 21.14 H new ATOM 0 HD3 LYS A 51 -8.186 -2.786 -11.423 1.00 21.14 H new ATOM 0 HE2 LYS A 51 -8.674 -0.563 -10.415 1.00 53.21 H new ATOM 0 HE3 LYS A 51 -8.818 0.147 -12.011 1.00 53.21 H new ATOM 0 HZ1 LYS A 51 -10.965 -0.352 -11.077 1.00 24.52 H new ATOM 0 HZ2 LYS A 51 -10.695 -1.304 -12.457 1.00 24.52 H new ATOM 0 HZ3 LYS A 51 -10.556 -1.991 -10.910 1.00 24.52 H new ATOM 878 N LYS A 52 -3.270 -4.674 -12.469 1.00 1.33 N ATOM 879 CA LYS A 52 -2.254 -5.524 -13.163 1.00 5.10 C ATOM 880 C LYS A 52 -1.395 -6.358 -12.172 1.00 11.04 C ATOM 881 O LYS A 52 -0.818 -7.382 -12.568 1.00 12.30 O ATOM 882 CB LYS A 52 -1.298 -4.657 -14.053 1.00 31.01 C ATOM 883 CG LYS A 52 -1.978 -3.856 -15.205 1.00 3.42 C ATOM 884 CD LYS A 52 -2.599 -2.509 -14.752 1.00 24.12 C ATOM 885 CE LYS A 52 -1.551 -1.472 -14.299 1.00 73.25 C ATOM 886 NZ LYS A 52 -2.184 -0.210 -13.837 1.00 33.41 N ATOM 0 H LYS A 52 -2.861 -3.934 -11.899 1.00 1.33 H new ATOM 0 HA LYS A 52 -2.822 -6.211 -13.790 1.00 5.10 H new ATOM 0 HB2 LYS A 52 -0.773 -3.953 -13.408 1.00 31.01 H new ATOM 0 HB3 LYS A 52 -0.545 -5.313 -14.489 1.00 31.01 H new ATOM 0 HG2 LYS A 52 -1.240 -3.661 -15.984 1.00 3.42 H new ATOM 0 HG3 LYS A 52 -2.758 -4.472 -15.652 1.00 3.42 H new ATOM 0 HD2 LYS A 52 -3.181 -2.091 -15.574 1.00 24.12 H new ATOM 0 HD3 LYS A 52 -3.293 -2.695 -13.932 1.00 24.12 H new ATOM 0 HE2 LYS A 52 -0.949 -1.892 -13.493 1.00 73.25 H new ATOM 0 HE3 LYS A 52 -0.873 -1.257 -15.125 1.00 73.25 H new ATOM 0 HZ1 LYS A 52 -1.462 0.535 -13.768 1.00 33.41 H new ATOM 0 HZ2 LYS A 52 -2.917 0.080 -14.516 1.00 33.41 H new ATOM 0 HZ3 LYS A 52 -2.617 -0.360 -12.903 1.00 33.41 H new ATOM 900 N MET A 53 -1.303 -5.919 -10.900 1.00 52.33 N ATOM 901 CA MET A 53 -0.369 -6.483 -9.912 1.00 33.31 C ATOM 902 C MET A 53 -0.776 -7.924 -9.473 1.00 1.04 C ATOM 903 O MET A 53 -1.943 -8.185 -9.168 1.00 62.13 O ATOM 904 CB MET A 53 -0.275 -5.493 -8.719 1.00 22.31 C ATOM 905 CG MET A 53 0.668 -5.925 -7.608 1.00 34.54 C ATOM 906 SD MET A 53 1.211 -4.576 -6.524 1.00 61.52 S ATOM 907 CE MET A 53 -0.334 -3.894 -5.934 1.00 63.23 C ATOM 0 H MET A 53 -1.877 -5.161 -10.531 1.00 52.33 H new ATOM 0 HA MET A 53 0.618 -6.598 -10.359 1.00 33.31 H new ATOM 0 HB2 MET A 53 0.049 -4.522 -9.095 1.00 22.31 H new ATOM 0 HB3 MET A 53 -1.271 -5.356 -8.299 1.00 22.31 H new ATOM 0 HG2 MET A 53 0.174 -6.685 -7.003 1.00 34.54 H new ATOM 0 HG3 MET A 53 1.546 -6.393 -8.054 1.00 34.54 H new ATOM 0 HE1 MET A 53 -0.133 -3.017 -5.318 1.00 63.23 H new ATOM 0 HE2 MET A 53 -0.953 -3.607 -6.784 1.00 63.23 H new ATOM 0 HE3 MET A 53 -0.859 -4.642 -5.340 1.00 63.23 H new ATOM 917 N ASN A 54 0.222 -8.835 -9.449 1.00 32.43 N ATOM 918 CA ASN A 54 0.021 -10.297 -9.259 1.00 64.15 C ATOM 919 C ASN A 54 -0.428 -10.689 -7.836 1.00 3.34 C ATOM 920 O ASN A 54 -0.186 -9.975 -6.876 1.00 10.42 O ATOM 921 CB ASN A 54 1.322 -11.070 -9.619 1.00 63.10 C ATOM 922 CG ASN A 54 1.544 -11.194 -11.120 1.00 54.13 C ATOM 923 OD1 ASN A 54 2.132 -10.324 -11.754 1.00 73.33 O ATOM 924 ND2 ASN A 54 1.084 -12.289 -11.698 1.00 63.33 N ATOM 0 H ASN A 54 1.202 -8.577 -9.562 1.00 32.43 H new ATOM 0 HA ASN A 54 -0.791 -10.573 -9.931 1.00 64.15 H new ATOM 0 HB2 ASN A 54 2.176 -10.561 -9.172 1.00 63.10 H new ATOM 0 HB3 ASN A 54 1.279 -12.067 -9.180 1.00 63.10 H new ATOM 0 HD21 ASN A 54 1.214 -12.430 -12.700 1.00 63.33 H new ATOM 0 HD22 ASN A 54 0.599 -12.994 -11.142 1.00 63.33 H new ATOM 931 N GLU A 55 -1.010 -11.899 -7.759 1.00 32.30 N ATOM 932 CA GLU A 55 -1.584 -12.525 -6.532 1.00 33.23 C ATOM 933 C GLU A 55 -0.613 -12.452 -5.336 1.00 33.11 C ATOM 934 O GLU A 55 -0.965 -12.021 -4.236 1.00 42.05 O ATOM 935 CB GLU A 55 -1.915 -14.044 -6.787 1.00 22.42 C ATOM 936 CG GLU A 55 -2.444 -14.427 -8.199 1.00 0.41 C ATOM 937 CD GLU A 55 -1.335 -14.563 -9.272 1.00 1.43 C ATOM 938 OE1 GLU A 55 -0.490 -15.468 -9.145 1.00 31.34 O ATOM 939 OE2 GLU A 55 -1.290 -13.749 -10.222 1.00 33.30 O ATOM 0 H GLU A 55 -1.102 -12.500 -8.578 1.00 32.30 H new ATOM 0 HA GLU A 55 -2.489 -11.965 -6.297 1.00 33.23 H new ATOM 0 HB2 GLU A 55 -1.012 -14.624 -6.595 1.00 22.42 H new ATOM 0 HB3 GLU A 55 -2.656 -14.357 -6.052 1.00 22.42 H new ATOM 0 HG2 GLU A 55 -2.985 -15.370 -8.129 1.00 0.41 H new ATOM 0 HG3 GLU A 55 -3.160 -13.672 -8.525 1.00 0.41 H new ATOM 946 N GLU A 56 0.611 -12.907 -5.607 1.00 31.51 N ATOM 947 CA GLU A 56 1.714 -12.965 -4.634 1.00 55.11 C ATOM 948 C GLU A 56 2.179 -11.556 -4.171 1.00 44.41 C ATOM 949 O GLU A 56 2.531 -11.363 -3.000 1.00 51.10 O ATOM 950 CB GLU A 56 2.875 -13.781 -5.255 1.00 2.52 C ATOM 951 CG GLU A 56 3.340 -13.317 -6.662 1.00 33.25 C ATOM 952 CD GLU A 56 4.456 -14.209 -7.232 1.00 42.35 C ATOM 953 OE1 GLU A 56 5.633 -14.023 -6.852 1.00 52.24 O ATOM 954 OE2 GLU A 56 4.154 -15.119 -8.035 1.00 55.44 O ATOM 0 H GLU A 56 0.874 -13.255 -6.529 1.00 31.51 H new ATOM 0 HA GLU A 56 1.360 -13.461 -3.730 1.00 55.11 H new ATOM 0 HB2 GLU A 56 3.728 -13.740 -4.578 1.00 2.52 H new ATOM 0 HB3 GLU A 56 2.569 -14.825 -5.319 1.00 2.52 H new ATOM 0 HG2 GLU A 56 2.489 -13.323 -7.344 1.00 33.25 H new ATOM 0 HG3 GLU A 56 3.695 -12.288 -6.604 1.00 33.25 H new ATOM 961 N GLU A 57 2.168 -10.583 -5.101 1.00 32.14 N ATOM 962 CA GLU A 57 2.490 -9.164 -4.803 1.00 75.33 C ATOM 963 C GLU A 57 1.360 -8.494 -3.969 1.00 13.43 C ATOM 964 O GLU A 57 1.617 -7.606 -3.151 1.00 64.52 O ATOM 965 CB GLU A 57 2.726 -8.378 -6.118 1.00 60.04 C ATOM 966 CG GLU A 57 3.790 -8.973 -7.064 1.00 22.33 C ATOM 967 CD GLU A 57 4.037 -8.105 -8.319 1.00 64.40 C ATOM 968 OE1 GLU A 57 3.143 -8.028 -9.190 1.00 50.45 O ATOM 969 OE2 GLU A 57 5.104 -7.466 -8.423 1.00 73.41 O ATOM 0 H GLU A 57 1.937 -10.752 -6.080 1.00 32.14 H new ATOM 0 HA GLU A 57 3.404 -9.143 -4.210 1.00 75.33 H new ATOM 0 HB2 GLU A 57 1.781 -8.313 -6.657 1.00 60.04 H new ATOM 0 HB3 GLU A 57 3.019 -7.359 -5.865 1.00 60.04 H new ATOM 0 HG2 GLU A 57 4.727 -9.090 -6.520 1.00 22.33 H new ATOM 0 HG3 GLU A 57 3.475 -9.969 -7.375 1.00 22.33 H new ATOM 976 N LEU A 58 0.109 -8.939 -4.207 1.00 62.25 N ATOM 977 CA LEU A 58 -1.094 -8.479 -3.467 1.00 23.43 C ATOM 978 C LEU A 58 -1.046 -8.873 -1.969 1.00 11.34 C ATOM 979 O LEU A 58 -1.572 -8.160 -1.113 1.00 1.53 O ATOM 980 CB LEU A 58 -2.388 -9.052 -4.116 1.00 62.35 C ATOM 981 CG LEU A 58 -2.697 -8.605 -5.580 1.00 32.40 C ATOM 982 CD1 LEU A 58 -4.092 -9.081 -6.035 1.00 13.43 C ATOM 983 CD2 LEU A 58 -2.538 -7.086 -5.758 1.00 14.43 C ATOM 0 H LEU A 58 -0.101 -9.634 -4.924 1.00 62.25 H new ATOM 0 HA LEU A 58 -1.105 -7.391 -3.527 1.00 23.43 H new ATOM 0 HB2 LEU A 58 -2.324 -10.140 -4.099 1.00 62.35 H new ATOM 0 HB3 LEU A 58 -3.235 -8.773 -3.489 1.00 62.35 H new ATOM 0 HG LEU A 58 -1.960 -9.085 -6.224 1.00 32.40 H new ATOM 0 HD11 LEU A 58 -4.273 -8.752 -7.058 1.00 13.43 H new ATOM 0 HD12 LEU A 58 -4.138 -10.169 -5.990 1.00 13.43 H new ATOM 0 HD13 LEU A 58 -4.853 -8.659 -5.378 1.00 13.43 H new ATOM 0 HD21 LEU A 58 -2.762 -6.815 -6.790 1.00 14.43 H new ATOM 0 HD22 LEU A 58 -3.225 -6.567 -5.090 1.00 14.43 H new ATOM 0 HD23 LEU A 58 -1.514 -6.797 -5.521 1.00 14.43 H new ATOM 995 N GLU A 59 -0.424 -10.023 -1.670 1.00 73.42 N ATOM 996 CA GLU A 59 -0.245 -10.506 -0.283 1.00 24.42 C ATOM 997 C GLU A 59 0.864 -9.718 0.461 1.00 43.43 C ATOM 998 O GLU A 59 0.816 -9.575 1.692 1.00 5.10 O ATOM 999 CB GLU A 59 0.047 -12.023 -0.305 1.00 41.32 C ATOM 1000 CG GLU A 59 -1.085 -12.857 -0.937 1.00 72.12 C ATOM 1001 CD GLU A 59 -0.832 -14.367 -0.874 1.00 13.35 C ATOM 1002 OE1 GLU A 59 -0.082 -14.890 -1.724 1.00 3.24 O ATOM 1003 OE2 GLU A 59 -1.371 -15.040 0.040 1.00 54.52 O ATOM 0 H GLU A 59 -0.031 -10.646 -2.376 1.00 73.42 H new ATOM 0 HA GLU A 59 -1.167 -10.333 0.272 1.00 24.42 H new ATOM 0 HB2 GLU A 59 0.970 -12.200 -0.858 1.00 41.32 H new ATOM 0 HB3 GLU A 59 0.216 -12.368 0.715 1.00 41.32 H new ATOM 0 HG2 GLU A 59 -2.022 -12.631 -0.427 1.00 72.12 H new ATOM 0 HG3 GLU A 59 -1.209 -12.559 -1.978 1.00 72.12 H new ATOM 1010 N GLU A 60 1.860 -9.206 -0.298 1.00 74.11 N ATOM 1011 CA GLU A 60 2.845 -8.230 0.233 1.00 52.12 C ATOM 1012 C GLU A 60 2.147 -6.875 0.519 1.00 33.22 C ATOM 1013 O GLU A 60 2.491 -6.174 1.481 1.00 53.40 O ATOM 1014 CB GLU A 60 4.046 -8.044 -0.747 1.00 62.52 C ATOM 1015 CG GLU A 60 5.137 -7.056 -0.251 1.00 62.45 C ATOM 1016 CD GLU A 60 6.409 -7.028 -1.125 1.00 13.13 C ATOM 1017 OE1 GLU A 60 6.339 -6.594 -2.295 1.00 71.53 O ATOM 1018 OE2 GLU A 60 7.485 -7.452 -0.653 1.00 62.51 O ATOM 0 H GLU A 60 2.004 -9.450 -1.278 1.00 74.11 H new ATOM 0 HA GLU A 60 3.247 -8.622 1.168 1.00 52.12 H new ATOM 0 HB2 GLU A 60 4.507 -9.015 -0.924 1.00 62.52 H new ATOM 0 HB3 GLU A 60 3.665 -7.693 -1.706 1.00 62.52 H new ATOM 0 HG2 GLU A 60 4.713 -6.053 -0.214 1.00 62.45 H new ATOM 0 HG3 GLU A 60 5.416 -7.322 0.769 1.00 62.45 H new ATOM 1025 N TYR A 61 1.149 -6.521 -0.323 1.00 52.20 N ATOM 1026 CA TYR A 61 0.328 -5.308 -0.119 1.00 31.14 C ATOM 1027 C TYR A 61 -0.550 -5.410 1.147 1.00 45.02 C ATOM 1028 O TYR A 61 -0.713 -4.424 1.866 1.00 55.23 O ATOM 1029 CB TYR A 61 -0.541 -5.001 -1.362 1.00 23.01 C ATOM 1030 CG TYR A 61 -1.216 -3.623 -1.318 1.00 42.53 C ATOM 1031 CD1 TYR A 61 -0.470 -2.480 -1.009 1.00 23.20 C ATOM 1032 CD2 TYR A 61 -2.576 -3.455 -1.580 1.00 31.03 C ATOM 1033 CE1 TYR A 61 -1.040 -1.237 -0.972 1.00 63.31 C ATOM 1034 CE2 TYR A 61 -3.153 -2.198 -1.552 1.00 53.42 C ATOM 1035 CZ TYR A 61 -2.373 -1.089 -1.244 1.00 3.11 C ATOM 1036 OH TYR A 61 -2.920 0.174 -1.233 1.00 32.30 O ATOM 0 H TYR A 61 0.894 -7.060 -1.151 1.00 52.20 H new ATOM 0 HA TYR A 61 1.021 -4.479 0.027 1.00 31.14 H new ATOM 0 HB2 TYR A 61 0.082 -5.062 -2.254 1.00 23.01 H new ATOM 0 HB3 TYR A 61 -1.309 -5.769 -1.456 1.00 23.01 H new ATOM 0 HD1 TYR A 61 0.583 -2.582 -0.794 1.00 23.20 H new ATOM 0 HD2 TYR A 61 -3.186 -4.317 -1.807 1.00 31.03 H new ATOM 0 HE1 TYR A 61 -0.439 -0.374 -0.728 1.00 63.31 H new ATOM 0 HE2 TYR A 61 -4.204 -2.079 -1.768 1.00 53.42 H new ATOM 0 HH TYR A 61 -3.850 0.125 -0.929 1.00 32.30 H new ATOM 1046 N ASP A 62 -1.097 -6.611 1.409 1.00 4.25 N ATOM 1047 CA ASP A 62 -1.880 -6.901 2.636 1.00 62.44 C ATOM 1048 C ASP A 62 -1.030 -6.638 3.907 1.00 65.02 C ATOM 1049 O ASP A 62 -1.521 -6.070 4.890 1.00 64.33 O ATOM 1050 CB ASP A 62 -2.386 -8.366 2.590 1.00 21.22 C ATOM 1051 CG ASP A 62 -3.354 -8.714 3.736 1.00 0.33 C ATOM 1052 OD1 ASP A 62 -4.573 -8.429 3.614 1.00 64.41 O ATOM 1053 OD2 ASP A 62 -2.910 -9.289 4.757 1.00 1.43 O ATOM 0 H ASP A 62 -1.012 -7.410 0.781 1.00 4.25 H new ATOM 0 HA ASP A 62 -2.741 -6.234 2.679 1.00 62.44 H new ATOM 0 HB2 ASP A 62 -2.885 -8.541 1.637 1.00 21.22 H new ATOM 0 HB3 ASP A 62 -1.530 -9.040 2.630 1.00 21.22 H new ATOM 1058 N SER A 63 0.256 -7.030 3.841 1.00 31.23 N ATOM 1059 CA SER A 63 1.254 -6.754 4.905 1.00 23.21 C ATOM 1060 C SER A 63 1.412 -5.233 5.163 1.00 34.03 C ATOM 1061 O SER A 63 1.484 -4.796 6.315 1.00 25.52 O ATOM 1062 CB SER A 63 2.627 -7.355 4.519 1.00 3.03 C ATOM 1063 OG SER A 63 2.529 -8.736 4.203 1.00 4.23 O ATOM 0 H SER A 63 0.638 -7.548 3.050 1.00 31.23 H new ATOM 0 HA SER A 63 0.891 -7.220 5.821 1.00 23.21 H new ATOM 0 HB2 SER A 63 3.033 -6.815 3.664 1.00 3.03 H new ATOM 0 HB3 SER A 63 3.327 -7.220 5.343 1.00 3.03 H new ATOM 0 HG SER A 63 2.079 -8.843 3.339 1.00 4.23 H new ATOM 1069 N LEU A 64 1.442 -4.434 4.071 1.00 3.32 N ATOM 1070 CA LEU A 64 1.567 -2.955 4.141 1.00 4.22 C ATOM 1071 C LEU A 64 0.289 -2.301 4.726 1.00 70.01 C ATOM 1072 O LEU A 64 0.363 -1.302 5.441 1.00 60.35 O ATOM 1073 CB LEU A 64 1.859 -2.370 2.738 1.00 3.10 C ATOM 1074 CG LEU A 64 2.198 -0.843 2.690 1.00 73.20 C ATOM 1075 CD1 LEU A 64 3.540 -0.535 3.398 1.00 50.44 C ATOM 1076 CD2 LEU A 64 2.179 -0.295 1.243 1.00 10.23 C ATOM 0 H LEU A 64 1.381 -4.793 3.118 1.00 3.32 H new ATOM 0 HA LEU A 64 2.399 -2.729 4.807 1.00 4.22 H new ATOM 0 HB2 LEU A 64 2.692 -2.921 2.302 1.00 3.10 H new ATOM 0 HB3 LEU A 64 0.991 -2.550 2.103 1.00 3.10 H new ATOM 0 HG LEU A 64 1.414 -0.323 3.240 1.00 73.20 H new ATOM 0 HD11 LEU A 64 3.742 0.535 3.345 1.00 50.44 H new ATOM 0 HD12 LEU A 64 3.479 -0.841 4.442 1.00 50.44 H new ATOM 0 HD13 LEU A 64 4.345 -1.082 2.906 1.00 50.44 H new ATOM 0 HD21 LEU A 64 2.419 0.768 1.253 1.00 10.23 H new ATOM 0 HD22 LEU A 64 2.916 -0.828 0.642 1.00 10.23 H new ATOM 0 HD23 LEU A 64 1.188 -0.439 0.812 1.00 10.23 H new ATOM 1088 N LEU A 65 -0.881 -2.884 4.417 1.00 2.22 N ATOM 1089 CA LEU A 65 -2.189 -2.422 4.955 1.00 0.42 C ATOM 1090 C LEU A 65 -2.322 -2.726 6.470 1.00 31.32 C ATOM 1091 O LEU A 65 -3.162 -2.136 7.158 1.00 2.31 O ATOM 1092 CB LEU A 65 -3.342 -3.083 4.151 1.00 74.44 C ATOM 1093 CG LEU A 65 -3.341 -2.783 2.618 1.00 74.32 C ATOM 1094 CD1 LEU A 65 -4.439 -3.566 1.882 1.00 22.23 C ATOM 1095 CD2 LEU A 65 -3.452 -1.271 2.344 1.00 64.13 C ATOM 0 H LEU A 65 -0.956 -3.686 3.791 1.00 2.22 H new ATOM 0 HA LEU A 65 -2.248 -1.340 4.842 1.00 0.42 H new ATOM 0 HB2 LEU A 65 -3.291 -4.162 4.294 1.00 74.44 H new ATOM 0 HB3 LEU A 65 -4.292 -2.751 4.569 1.00 74.44 H new ATOM 0 HG LEU A 65 -2.384 -3.123 2.223 1.00 74.32 H new ATOM 0 HD11 LEU A 65 -4.404 -3.329 0.819 1.00 22.23 H new ATOM 0 HD12 LEU A 65 -4.279 -4.635 2.021 1.00 22.23 H new ATOM 0 HD13 LEU A 65 -5.414 -3.290 2.283 1.00 22.23 H new ATOM 0 HD21 LEU A 65 -3.449 -1.095 1.268 1.00 64.13 H new ATOM 0 HD22 LEU A 65 -4.380 -0.891 2.771 1.00 64.13 H new ATOM 0 HD23 LEU A 65 -2.606 -0.756 2.799 1.00 64.13 H new ATOM 1107 N ASN A 66 -1.490 -3.663 6.970 1.00 65.33 N ATOM 1108 CA ASN A 66 -1.389 -4.003 8.411 1.00 42.51 C ATOM 1109 C ASN A 66 -0.233 -3.234 9.118 1.00 42.42 C ATOM 1110 O ASN A 66 -0.031 -3.397 10.328 1.00 22.32 O ATOM 1111 CB ASN A 66 -1.208 -5.537 8.562 1.00 63.11 C ATOM 1112 CG ASN A 66 -2.390 -6.332 7.991 1.00 55.13 C ATOM 1113 OD1 ASN A 66 -3.540 -5.903 8.061 1.00 42.13 O ATOM 1114 ND2 ASN A 66 -2.124 -7.486 7.418 1.00 42.24 N ATOM 0 H ASN A 66 -0.862 -4.212 6.382 1.00 65.33 H new ATOM 0 HA ASN A 66 -2.312 -3.693 8.901 1.00 42.51 H new ATOM 0 HB2 ASN A 66 -0.292 -5.842 8.056 1.00 63.11 H new ATOM 0 HB3 ASN A 66 -1.086 -5.782 9.617 1.00 63.11 H new ATOM 0 HD21 ASN A 66 -2.880 -8.044 7.021 1.00 42.24 H new ATOM 0 HD22 ASN A 66 -1.162 -7.822 7.371 1.00 42.24 H new ATOM 1121 N GLU A 67 0.519 -2.400 8.361 1.00 63.30 N ATOM 1122 CA GLU A 67 1.556 -1.488 8.928 1.00 44.12 C ATOM 1123 C GLU A 67 0.914 -0.218 9.545 1.00 44.13 C ATOM 1124 O GLU A 67 -0.281 0.049 9.352 1.00 53.12 O ATOM 1125 CB GLU A 67 2.581 -1.072 7.830 1.00 14.14 C ATOM 1126 CG GLU A 67 3.446 -2.214 7.258 1.00 43.11 C ATOM 1127 CD GLU A 67 4.416 -2.841 8.275 1.00 44.15 C ATOM 1128 OE1 GLU A 67 5.450 -2.205 8.589 1.00 44.42 O ATOM 1129 OE2 GLU A 67 4.168 -3.969 8.755 1.00 33.22 O ATOM 0 H GLU A 67 0.430 -2.336 7.347 1.00 63.30 H new ATOM 0 HA GLU A 67 2.074 -2.034 9.717 1.00 44.12 H new ATOM 0 HB2 GLU A 67 2.037 -0.606 7.008 1.00 14.14 H new ATOM 0 HB3 GLU A 67 3.243 -0.312 8.246 1.00 14.14 H new ATOM 0 HG2 GLU A 67 2.789 -2.993 6.871 1.00 43.11 H new ATOM 0 HG3 GLU A 67 4.020 -1.832 6.413 1.00 43.11 H new ATOM 1136 N LEU A 68 1.732 0.563 10.278 1.00 2.42 N ATOM 1137 CA LEU A 68 1.289 1.822 10.918 1.00 55.41 C ATOM 1138 C LEU A 68 1.118 2.953 9.877 1.00 54.23 C ATOM 1139 O LEU A 68 1.948 3.097 8.969 1.00 52.24 O ATOM 1140 CB LEU A 68 2.270 2.282 12.032 1.00 2.32 C ATOM 1141 CG LEU A 68 2.369 1.373 13.304 1.00 24.30 C ATOM 1142 CD1 LEU A 68 3.212 0.097 13.053 1.00 45.51 C ATOM 1143 CD2 LEU A 68 2.897 2.176 14.514 1.00 41.51 C ATOM 0 H LEU A 68 2.714 0.342 10.444 1.00 2.42 H new ATOM 0 HA LEU A 68 0.322 1.614 11.376 1.00 55.41 H new ATOM 0 HB2 LEU A 68 3.265 2.365 11.595 1.00 2.32 H new ATOM 0 HB3 LEU A 68 1.977 3.282 12.351 1.00 2.32 H new ATOM 0 HG LEU A 68 1.360 1.034 13.538 1.00 24.30 H new ATOM 0 HD11 LEU A 68 3.250 -0.499 13.965 1.00 45.51 H new ATOM 0 HD12 LEU A 68 2.756 -0.489 12.255 1.00 45.51 H new ATOM 0 HD13 LEU A 68 4.224 0.381 12.762 1.00 45.51 H new ATOM 0 HD21 LEU A 68 2.957 1.524 15.385 1.00 41.51 H new ATOM 0 HD22 LEU A 68 3.888 2.569 14.286 1.00 41.51 H new ATOM 0 HD23 LEU A 68 2.219 3.003 14.726 1.00 41.51 H new ATOM 1155 N ASP A 69 0.052 3.757 10.069 1.00 74.41 N ATOM 1156 CA ASP A 69 -0.392 4.806 9.120 1.00 32.53 C ATOM 1157 C ASP A 69 0.740 5.772 8.694 1.00 2.35 C ATOM 1158 O ASP A 69 1.204 5.711 7.548 1.00 54.25 O ATOM 1159 CB ASP A 69 -1.561 5.601 9.745 1.00 40.34 C ATOM 1160 CG ASP A 69 -2.803 4.735 9.951 1.00 61.31 C ATOM 1161 OD1 ASP A 69 -3.495 4.465 8.961 1.00 23.53 O ATOM 1162 OD2 ASP A 69 -3.079 4.297 11.089 1.00 21.45 O ATOM 0 H ASP A 69 -0.536 3.697 10.900 1.00 74.41 H new ATOM 0 HA ASP A 69 -0.716 4.297 8.212 1.00 32.53 H new ATOM 0 HB2 ASP A 69 -1.246 6.015 10.703 1.00 40.34 H new ATOM 0 HB3 ASP A 69 -1.811 6.444 9.100 1.00 40.34 H new ATOM 1167 N TRP A 70 1.208 6.615 9.640 1.00 54.42 N ATOM 1168 CA TRP A 70 2.234 7.658 9.370 1.00 40.14 C ATOM 1169 C TRP A 70 3.519 7.080 8.724 1.00 33.04 C ATOM 1170 O TRP A 70 4.094 7.706 7.837 1.00 3.13 O ATOM 1171 CB TRP A 70 2.598 8.422 10.672 1.00 62.34 C ATOM 1172 CG TRP A 70 1.505 9.326 11.199 1.00 53.31 C ATOM 1173 CD1 TRP A 70 0.681 9.110 12.274 1.00 40.12 C ATOM 1174 CD2 TRP A 70 1.122 10.604 10.653 1.00 25.00 C ATOM 1175 NE1 TRP A 70 -0.172 10.171 12.430 1.00 11.54 N ATOM 1176 CE2 TRP A 70 0.074 11.096 11.448 1.00 32.35 C ATOM 1177 CE3 TRP A 70 1.567 11.376 9.566 1.00 10.02 C ATOM 1178 CZ2 TRP A 70 -0.540 12.321 11.196 1.00 40.11 C ATOM 1179 CZ3 TRP A 70 0.954 12.591 9.316 1.00 71.50 C ATOM 1180 CH2 TRP A 70 -0.090 13.054 10.130 1.00 61.22 C ATOM 0 H TRP A 70 0.890 6.596 10.609 1.00 54.42 H new ATOM 0 HA TRP A 70 1.790 8.349 8.654 1.00 40.14 H new ATOM 0 HB2 TRP A 70 2.855 7.696 11.444 1.00 62.34 H new ATOM 0 HB3 TRP A 70 3.490 9.021 10.489 1.00 62.34 H new ATOM 0 HD1 TRP A 70 0.701 8.233 12.904 1.00 40.12 H new ATOM 0 HE1 TRP A 70 -0.878 10.259 13.161 1.00 11.54 H new ATOM 0 HE3 TRP A 70 2.373 11.027 8.937 1.00 10.02 H new ATOM 0 HZ2 TRP A 70 -1.344 12.681 11.821 1.00 40.11 H new ATOM 0 HZ3 TRP A 70 1.284 13.192 8.482 1.00 71.50 H new ATOM 0 HH2 TRP A 70 -0.548 14.007 9.912 1.00 61.22 H new ATOM 1191 N ASP A 71 3.915 5.867 9.148 1.00 63.10 N ATOM 1192 CA ASP A 71 5.129 5.180 8.651 1.00 43.14 C ATOM 1193 C ASP A 71 5.053 4.898 7.131 1.00 10.02 C ATOM 1194 O ASP A 71 5.984 5.235 6.399 1.00 2.22 O ATOM 1195 CB ASP A 71 5.341 3.869 9.442 1.00 40.10 C ATOM 1196 CG ASP A 71 5.653 4.128 10.922 1.00 30.31 C ATOM 1197 OD1 ASP A 71 4.731 4.510 11.677 1.00 15.21 O ATOM 1198 OD2 ASP A 71 6.824 3.983 11.334 1.00 30.05 O ATOM 0 H ASP A 71 3.403 5.330 9.848 1.00 63.10 H new ATOM 0 HA ASP A 71 5.982 5.840 8.808 1.00 43.14 H new ATOM 0 HB2 ASP A 71 4.446 3.251 9.364 1.00 40.10 H new ATOM 0 HB3 ASP A 71 6.159 3.304 8.994 1.00 40.10 H new ATOM 1203 N ILE A 72 3.921 4.308 6.678 1.00 65.11 N ATOM 1204 CA ILE A 72 3.653 4.027 5.231 1.00 3.10 C ATOM 1205 C ILE A 72 3.820 5.312 4.375 1.00 34.01 C ATOM 1206 O ILE A 72 4.446 5.300 3.303 1.00 32.31 O ATOM 1207 CB ILE A 72 2.189 3.473 5.031 1.00 13.40 C ATOM 1208 CG1 ILE A 72 1.927 2.212 5.914 1.00 22.31 C ATOM 1209 CG2 ILE A 72 1.891 3.170 3.535 1.00 14.50 C ATOM 1210 CD1 ILE A 72 0.462 1.799 6.008 1.00 52.31 C ATOM 0 H ILE A 72 3.165 4.011 7.296 1.00 65.11 H new ATOM 0 HA ILE A 72 4.376 3.279 4.906 1.00 3.10 H new ATOM 0 HB ILE A 72 1.505 4.257 5.356 1.00 13.40 H new ATOM 0 HG12 ILE A 72 2.502 1.377 5.513 1.00 22.31 H new ATOM 0 HG13 ILE A 72 2.303 2.403 6.919 1.00 22.31 H new ATOM 0 HG21 ILE A 72 0.874 2.790 3.436 1.00 14.50 H new ATOM 0 HG22 ILE A 72 1.995 4.084 2.951 1.00 14.50 H new ATOM 0 HG23 ILE A 72 2.594 2.423 3.168 1.00 14.50 H new ATOM 0 HD11 ILE A 72 0.373 0.915 6.640 1.00 52.31 H new ATOM 0 HD12 ILE A 72 -0.119 2.614 6.440 1.00 52.31 H new ATOM 0 HD13 ILE A 72 0.083 1.572 5.011 1.00 52.31 H new ATOM 1222 N TYR A 73 3.269 6.417 4.904 1.00 10.12 N ATOM 1223 CA TYR A 73 3.302 7.741 4.258 1.00 35.01 C ATOM 1224 C TYR A 73 4.743 8.290 4.152 1.00 1.13 C ATOM 1225 O TYR A 73 5.155 8.755 3.093 1.00 12.44 O ATOM 1226 CB TYR A 73 2.398 8.719 5.049 1.00 2.14 C ATOM 1227 CG TYR A 73 2.264 10.118 4.430 1.00 44.55 C ATOM 1228 CD1 TYR A 73 1.579 10.306 3.224 1.00 42.01 C ATOM 1229 CD2 TYR A 73 2.819 11.248 5.045 1.00 23.11 C ATOM 1230 CE1 TYR A 73 1.455 11.562 2.659 1.00 33.24 C ATOM 1231 CE2 TYR A 73 2.696 12.504 4.482 1.00 73.51 C ATOM 1232 CZ TYR A 73 2.014 12.658 3.293 1.00 61.13 C ATOM 1233 OH TYR A 73 1.886 13.914 2.737 1.00 3.43 O ATOM 0 H TYR A 73 2.783 6.417 5.801 1.00 10.12 H new ATOM 0 HA TYR A 73 2.925 7.639 3.240 1.00 35.01 H new ATOM 0 HB2 TYR A 73 1.404 8.280 5.139 1.00 2.14 H new ATOM 0 HB3 TYR A 73 2.794 8.821 6.059 1.00 2.14 H new ATOM 0 HD1 TYR A 73 1.139 9.455 2.726 1.00 42.01 H new ATOM 0 HD2 TYR A 73 3.353 11.135 5.977 1.00 23.11 H new ATOM 0 HE1 TYR A 73 0.924 11.687 1.727 1.00 33.24 H new ATOM 0 HE2 TYR A 73 3.132 13.362 4.971 1.00 73.51 H new ATOM 0 HH TYR A 73 1.124 14.376 3.144 1.00 3.43 H new ATOM 1243 N TYR A 74 5.502 8.204 5.257 1.00 22.43 N ATOM 1244 CA TYR A 74 6.872 8.764 5.345 1.00 12.25 C ATOM 1245 C TYR A 74 7.894 7.982 4.483 1.00 12.55 C ATOM 1246 O TYR A 74 8.835 8.577 3.950 1.00 73.00 O ATOM 1247 CB TYR A 74 7.339 8.824 6.816 1.00 10.53 C ATOM 1248 CG TYR A 74 6.570 9.823 7.710 1.00 43.12 C ATOM 1249 CD1 TYR A 74 6.183 11.084 7.239 1.00 25.41 C ATOM 1250 CD2 TYR A 74 6.264 9.519 9.042 1.00 10.25 C ATOM 1251 CE1 TYR A 74 5.525 11.988 8.058 1.00 74.43 C ATOM 1252 CE2 TYR A 74 5.603 10.417 9.859 1.00 11.04 C ATOM 1253 CZ TYR A 74 5.237 11.649 9.366 1.00 21.43 C ATOM 1254 OH TYR A 74 4.585 12.554 10.182 1.00 22.22 O ATOM 0 H TYR A 74 5.190 7.747 6.114 1.00 22.43 H new ATOM 0 HA TYR A 74 6.826 9.776 4.942 1.00 12.25 H new ATOM 0 HB2 TYR A 74 7.248 7.828 7.250 1.00 10.53 H new ATOM 0 HB3 TYR A 74 8.397 9.085 6.834 1.00 10.53 H new ATOM 0 HD1 TYR A 74 6.402 11.357 6.217 1.00 25.41 H new ATOM 0 HD2 TYR A 74 6.552 8.558 9.442 1.00 10.25 H new ATOM 0 HE1 TYR A 74 5.238 12.956 7.674 1.00 74.43 H new ATOM 0 HE2 TYR A 74 5.374 10.153 10.881 1.00 11.04 H new ATOM 0 HH TYR A 74 3.620 12.384 10.153 1.00 22.22 H new ATOM 1264 N TRP A 75 7.701 6.654 4.349 1.00 34.33 N ATOM 1265 CA TRP A 75 8.539 5.813 3.457 1.00 60.13 C ATOM 1266 C TRP A 75 8.304 6.187 1.975 1.00 10.03 C ATOM 1267 O TRP A 75 9.243 6.240 1.174 1.00 62.31 O ATOM 1268 CB TRP A 75 8.253 4.303 3.658 1.00 43.41 C ATOM 1269 CG TRP A 75 8.474 3.777 5.061 1.00 10.33 C ATOM 1270 CD1 TRP A 75 9.382 4.217 5.991 1.00 3.20 C ATOM 1271 CD2 TRP A 75 7.777 2.684 5.673 1.00 24.20 C ATOM 1272 NE1 TRP A 75 9.273 3.477 7.139 1.00 11.42 N ATOM 1273 CE2 TRP A 75 8.295 2.530 6.970 1.00 70.35 C ATOM 1274 CE3 TRP A 75 6.754 1.827 5.244 1.00 25.24 C ATOM 1275 CZ2 TRP A 75 7.828 1.554 7.843 1.00 22.42 C ATOM 1276 CZ3 TRP A 75 6.291 0.860 6.111 1.00 34.31 C ATOM 1277 CH2 TRP A 75 6.829 0.731 7.400 1.00 51.21 C ATOM 0 H TRP A 75 6.974 6.137 4.845 1.00 34.33 H new ATOM 0 HA TRP A 75 9.579 6.005 3.720 1.00 60.13 H new ATOM 0 HB2 TRP A 75 7.219 4.106 3.374 1.00 43.41 H new ATOM 0 HB3 TRP A 75 8.885 3.737 2.973 1.00 43.41 H new ATOM 0 HD1 TRP A 75 10.080 5.027 5.840 1.00 3.20 H new ATOM 0 HE1 TRP A 75 9.830 3.609 7.984 1.00 11.42 H new ATOM 0 HE3 TRP A 75 6.336 1.922 4.253 1.00 25.24 H new ATOM 0 HZ2 TRP A 75 8.239 1.449 8.836 1.00 22.42 H new ATOM 0 HZ3 TRP A 75 5.503 0.193 5.793 1.00 34.31 H new ATOM 0 HH2 TRP A 75 6.446 -0.035 8.058 1.00 51.21 H new ATOM 1288 N ALA A 76 7.030 6.450 1.639 1.00 24.23 N ATOM 1289 CA ALA A 76 6.613 6.860 0.285 1.00 31.53 C ATOM 1290 C ALA A 76 7.080 8.300 -0.054 1.00 51.54 C ATOM 1291 O ALA A 76 7.406 8.602 -1.205 1.00 42.11 O ATOM 1292 CB ALA A 76 5.087 6.747 0.170 1.00 51.25 C ATOM 0 H ALA A 76 6.256 6.384 2.301 1.00 24.23 H new ATOM 0 HA ALA A 76 7.087 6.194 -0.436 1.00 31.53 H new ATOM 0 HB1 ALA A 76 4.774 7.049 -0.829 1.00 51.25 H new ATOM 0 HB2 ALA A 76 4.784 5.715 0.349 1.00 51.25 H new ATOM 0 HB3 ALA A 76 4.617 7.396 0.909 1.00 51.25 H new ATOM 1298 N THR A 77 7.104 9.183 0.966 1.00 31.50 N ATOM 1299 CA THR A 77 7.478 10.617 0.807 1.00 12.21 C ATOM 1300 C THR A 77 8.947 10.896 1.204 1.00 64.02 C ATOM 1301 O THR A 77 9.317 12.062 1.403 1.00 4.14 O ATOM 1302 CB THR A 77 6.527 11.558 1.637 1.00 15.13 C ATOM 1303 OG1 THR A 77 6.625 11.255 3.044 1.00 32.14 O ATOM 1304 CG2 THR A 77 5.061 11.437 1.181 1.00 64.14 C ATOM 0 H THR A 77 6.866 8.929 1.925 1.00 31.50 H new ATOM 0 HA THR A 77 7.365 10.836 -0.255 1.00 12.21 H new ATOM 0 HB THR A 77 6.851 12.584 1.461 1.00 15.13 H new ATOM 0 HG1 THR A 77 6.045 10.494 3.256 1.00 32.14 H new ATOM 0 HG21 THR A 77 4.438 12.102 1.779 1.00 64.14 H new ATOM 0 HG22 THR A 77 4.983 11.714 0.130 1.00 64.14 H new ATOM 0 HG23 THR A 77 4.723 10.409 1.311 1.00 64.14 H new ATOM 1312 N LYS A 78 9.779 9.820 1.326 1.00 62.31 N ATOM 1313 CA LYS A 78 11.250 9.919 1.538 1.00 24.42 C ATOM 1314 C LYS A 78 11.636 10.516 2.943 1.00 52.32 C ATOM 1315 O LYS A 78 12.819 10.681 3.273 1.00 44.53 O ATOM 1316 CB LYS A 78 11.892 10.697 0.335 1.00 45.13 C ATOM 1317 CG LYS A 78 13.410 10.939 0.406 1.00 3.01 C ATOM 1318 CD LYS A 78 13.959 11.731 -0.810 1.00 74.20 C ATOM 1319 CE LYS A 78 15.318 12.409 -0.532 1.00 64.40 C ATOM 1320 NZ LYS A 78 16.358 11.446 -0.089 1.00 10.44 N ATOM 0 H LYS A 78 9.444 8.858 1.279 1.00 62.31 H new ATOM 0 HA LYS A 78 11.666 8.912 1.558 1.00 24.42 H new ATOM 0 HB2 LYS A 78 11.677 10.147 -0.581 1.00 45.13 H new ATOM 0 HB3 LYS A 78 11.396 11.664 0.250 1.00 45.13 H new ATOM 0 HG2 LYS A 78 13.642 11.484 1.321 1.00 3.01 H new ATOM 0 HG3 LYS A 78 13.922 9.979 0.468 1.00 3.01 H new ATOM 0 HD2 LYS A 78 14.065 11.054 -1.658 1.00 74.20 H new ATOM 0 HD3 LYS A 78 13.233 12.492 -1.098 1.00 74.20 H new ATOM 0 HE2 LYS A 78 15.658 12.915 -1.435 1.00 64.40 H new ATOM 0 HE3 LYS A 78 15.188 13.175 0.233 1.00 64.40 H new ATOM 0 HZ1 LYS A 78 17.254 11.950 0.067 1.00 10.44 H new ATOM 0 HZ2 LYS A 78 16.057 10.993 0.797 1.00 10.44 H new ATOM 0 HZ3 LYS A 78 16.493 10.720 -0.821 1.00 10.44 H new ATOM 1334 N ASN A 79 10.637 10.766 3.807 1.00 14.11 N ATOM 1335 CA ASN A 79 10.848 11.412 5.121 1.00 52.13 C ATOM 1336 C ASN A 79 11.175 10.345 6.212 1.00 71.31 C ATOM 1337 O ASN A 79 10.377 10.070 7.114 1.00 42.44 O ATOM 1338 CB ASN A 79 9.600 12.273 5.466 1.00 12.11 C ATOM 1339 CG ASN A 79 9.785 13.190 6.674 1.00 4.10 C ATOM 1340 OD1 ASN A 79 10.898 13.571 7.033 1.00 64.52 O ATOM 1341 ND2 ASN A 79 8.689 13.575 7.298 1.00 55.31 N ATOM 0 H ASN A 79 9.663 10.528 3.618 1.00 14.11 H new ATOM 0 HA ASN A 79 11.711 12.077 5.083 1.00 52.13 H new ATOM 0 HB2 ASN A 79 9.341 12.881 4.599 1.00 12.11 H new ATOM 0 HB3 ASN A 79 8.756 11.610 5.654 1.00 12.11 H new ATOM 0 HD21 ASN A 79 8.752 14.204 8.099 1.00 55.31 H new ATOM 0 HD22 ASN A 79 7.778 13.244 6.980 1.00 55.31 H new ATOM 1348 N PHE A 80 12.383 9.747 6.102 1.00 71.20 N ATOM 1349 CA PHE A 80 12.842 8.644 6.986 1.00 10.33 C ATOM 1350 C PHE A 80 13.386 9.145 8.349 1.00 23.25 C ATOM 1351 O PHE A 80 13.618 8.339 9.253 1.00 2.43 O ATOM 1352 CB PHE A 80 13.924 7.792 6.269 1.00 21.44 C ATOM 1353 CG PHE A 80 13.467 7.195 4.935 1.00 0.51 C ATOM 1354 CD1 PHE A 80 12.551 6.143 4.899 1.00 11.21 C ATOM 1355 CD2 PHE A 80 13.939 7.694 3.718 1.00 13.13 C ATOM 1356 CE1 PHE A 80 12.133 5.607 3.693 1.00 13.23 C ATOM 1357 CE2 PHE A 80 13.518 7.156 2.514 1.00 64.05 C ATOM 1358 CZ PHE A 80 12.608 6.117 2.503 1.00 61.14 C ATOM 0 H PHE A 80 13.070 10.014 5.397 1.00 71.20 H new ATOM 0 HA PHE A 80 11.966 8.031 7.197 1.00 10.33 H new ATOM 0 HB2 PHE A 80 14.803 8.412 6.095 1.00 21.44 H new ATOM 0 HB3 PHE A 80 14.231 6.982 6.931 1.00 21.44 H new ATOM 0 HD1 PHE A 80 12.163 5.742 5.824 1.00 11.21 H new ATOM 0 HD2 PHE A 80 14.644 8.513 3.717 1.00 13.13 H new ATOM 0 HE1 PHE A 80 11.432 4.786 3.684 1.00 13.23 H new ATOM 0 HE2 PHE A 80 13.901 7.549 1.584 1.00 64.05 H new ATOM 0 HZ PHE A 80 12.269 5.705 1.564 1.00 61.14 H new ATOM 1368 N LYS A 81 13.603 10.466 8.484 1.00 45.33 N ATOM 1369 CA LYS A 81 14.072 11.096 9.754 1.00 23.31 C ATOM 1370 C LYS A 81 13.111 10.791 10.932 1.00 45.32 C ATOM 1371 O LYS A 81 13.539 10.449 12.040 1.00 30.32 O ATOM 1372 CB LYS A 81 14.197 12.630 9.565 1.00 23.12 C ATOM 1373 CG LYS A 81 15.196 13.050 8.467 1.00 25.23 C ATOM 1374 CD LYS A 81 15.220 14.575 8.205 1.00 1.44 C ATOM 1375 CE LYS A 81 13.886 15.110 7.643 1.00 23.24 C ATOM 1376 NZ LYS A 81 13.954 16.556 7.322 1.00 11.32 N ATOM 0 H LYS A 81 13.462 11.133 7.725 1.00 45.33 H new ATOM 0 HA LYS A 81 15.047 10.673 9.997 1.00 23.31 H new ATOM 0 HB2 LYS A 81 13.215 13.037 9.323 1.00 23.12 H new ATOM 0 HB3 LYS A 81 14.503 13.078 10.510 1.00 23.12 H new ATOM 0 HG2 LYS A 81 16.196 12.723 8.752 1.00 25.23 H new ATOM 0 HG3 LYS A 81 14.944 12.534 7.541 1.00 25.23 H new ATOM 0 HD2 LYS A 81 15.451 15.095 9.135 1.00 1.44 H new ATOM 0 HD3 LYS A 81 16.022 14.805 7.504 1.00 1.44 H new ATOM 0 HE2 LYS A 81 13.622 14.552 6.745 1.00 23.24 H new ATOM 0 HE3 LYS A 81 13.092 14.938 8.370 1.00 23.24 H new ATOM 0 HZ1 LYS A 81 13.037 16.872 6.948 1.00 11.32 H new ATOM 0 HZ2 LYS A 81 14.180 17.093 8.184 1.00 11.32 H new ATOM 0 HZ3 LYS A 81 14.693 16.719 6.609 1.00 11.32 H new ATOM 1390 N THR A 82 11.809 10.915 10.648 1.00 21.43 N ATOM 1391 CA THR A 82 10.728 10.661 11.628 1.00 2.00 C ATOM 1392 C THR A 82 10.328 9.163 11.671 1.00 21.31 C ATOM 1393 O THR A 82 10.106 8.620 12.753 1.00 40.45 O ATOM 1394 CB THR A 82 9.474 11.559 11.345 1.00 33.44 C ATOM 1395 OG1 THR A 82 8.339 11.106 12.104 1.00 10.21 O ATOM 1396 CG2 THR A 82 9.122 11.605 9.853 1.00 14.22 C ATOM 0 H THR A 82 11.466 11.195 9.729 1.00 21.43 H new ATOM 0 HA THR A 82 11.122 10.928 12.608 1.00 2.00 H new ATOM 0 HB THR A 82 9.732 12.571 11.657 1.00 33.44 H new ATOM 0 HG1 THR A 82 7.603 10.889 11.494 1.00 10.21 H new ATOM 0 HG21 THR A 82 8.247 12.238 9.705 1.00 14.22 H new ATOM 0 HG22 THR A 82 9.964 12.012 9.293 1.00 14.22 H new ATOM 0 HG23 THR A 82 8.904 10.597 9.499 1.00 14.22 H new ATOM 1404 N SER A 83 10.230 8.505 10.495 1.00 2.32 N ATOM 1405 CA SER A 83 9.962 7.039 10.401 1.00 54.20 C ATOM 1406 C SER A 83 11.027 6.343 9.531 1.00 31.32 C ATOM 1407 O SER A 83 10.911 6.338 8.298 1.00 43.35 O ATOM 1408 CB SER A 83 8.546 6.751 9.848 1.00 34.31 C ATOM 1409 OG SER A 83 7.553 7.094 10.791 1.00 55.22 O ATOM 0 H SER A 83 10.332 8.962 9.589 1.00 2.32 H new ATOM 0 HA SER A 83 10.015 6.634 11.412 1.00 54.20 H new ATOM 0 HB2 SER A 83 8.389 7.315 8.929 1.00 34.31 H new ATOM 0 HB3 SER A 83 8.460 5.695 9.592 1.00 34.31 H new ATOM 0 HG SER A 83 7.472 6.379 11.456 1.00 55.22 H new ATOM 1415 N PRO A 84 12.108 5.771 10.163 1.00 5.42 N ATOM 1416 CA PRO A 84 13.178 5.034 9.434 1.00 41.20 C ATOM 1417 C PRO A 84 12.649 3.794 8.678 1.00 43.33 C ATOM 1418 O PRO A 84 11.658 3.177 9.094 1.00 64.12 O ATOM 1419 CB PRO A 84 14.175 4.624 10.556 1.00 63.51 C ATOM 1420 CG PRO A 84 13.876 5.560 11.688 1.00 1.42 C ATOM 1421 CD PRO A 84 12.387 5.809 11.626 1.00 32.31 C ATOM 0 HA PRO A 84 13.630 5.650 8.656 1.00 41.20 H new ATOM 0 HB2 PRO A 84 14.032 3.585 10.853 1.00 63.51 H new ATOM 0 HB3 PRO A 84 15.208 4.722 10.223 1.00 63.51 H new ATOM 0 HG2 PRO A 84 14.161 5.122 12.645 1.00 1.42 H new ATOM 0 HG3 PRO A 84 14.434 6.491 11.585 1.00 1.42 H new ATOM 0 HD2 PRO A 84 11.826 5.045 12.165 1.00 32.31 H new ATOM 0 HD3 PRO A 84 12.119 6.770 12.064 1.00 32.31 H new ATOM 1429 N LEU A 85 13.324 3.431 7.573 1.00 22.12 N ATOM 1430 CA LEU A 85 12.935 2.278 6.749 1.00 5.21 C ATOM 1431 C LEU A 85 13.487 0.955 7.351 1.00 50.13 C ATOM 1432 O LEU A 85 14.709 0.815 7.497 1.00 71.34 O ATOM 1433 CB LEU A 85 13.440 2.453 5.293 1.00 14.24 C ATOM 1434 CG LEU A 85 12.930 1.374 4.291 1.00 1.44 C ATOM 1435 CD1 LEU A 85 11.386 1.393 4.204 1.00 52.34 C ATOM 1436 CD2 LEU A 85 13.576 1.540 2.897 1.00 3.02 C ATOM 0 H LEU A 85 14.148 3.925 7.230 1.00 22.12 H new ATOM 0 HA LEU A 85 11.846 2.224 6.738 1.00 5.21 H new ATOM 0 HB2 LEU A 85 13.135 3.436 4.933 1.00 14.24 H new ATOM 0 HB3 LEU A 85 14.530 2.439 5.297 1.00 14.24 H new ATOM 0 HG LEU A 85 13.234 0.398 4.670 1.00 1.44 H new ATOM 0 HD11 LEU A 85 11.052 0.632 3.499 1.00 52.34 H new ATOM 0 HD12 LEU A 85 10.964 1.187 5.187 1.00 52.34 H new ATOM 0 HD13 LEU A 85 11.053 2.374 3.864 1.00 52.34 H new ATOM 0 HD21 LEU A 85 13.196 0.770 2.226 1.00 3.02 H new ATOM 0 HD22 LEU A 85 13.330 2.524 2.497 1.00 3.02 H new ATOM 0 HD23 LEU A 85 14.658 1.444 2.984 1.00 3.02 H new ATOM 1448 N PRO A 86 12.601 -0.027 7.720 1.00 3.24 N ATOM 1449 CA PRO A 86 13.034 -1.371 8.170 1.00 25.54 C ATOM 1450 C PRO A 86 13.537 -2.258 6.994 1.00 15.50 C ATOM 1451 O PRO A 86 13.166 -2.044 5.830 1.00 25.04 O ATOM 1452 CB PRO A 86 11.753 -1.974 8.837 1.00 15.40 C ATOM 1453 CG PRO A 86 10.759 -0.844 8.896 1.00 53.02 C ATOM 1454 CD PRO A 86 11.123 0.080 7.760 1.00 75.44 C ATOM 0 HA PRO A 86 13.883 -1.319 8.852 1.00 25.54 H new ATOM 0 HB2 PRO A 86 11.364 -2.809 8.255 1.00 15.40 H new ATOM 0 HB3 PRO A 86 11.973 -2.356 9.834 1.00 15.40 H new ATOM 0 HG2 PRO A 86 9.739 -1.214 8.789 1.00 53.02 H new ATOM 0 HG3 PRO A 86 10.811 -0.326 9.854 1.00 53.02 H new ATOM 0 HD2 PRO A 86 10.668 -0.233 6.820 1.00 75.44 H new ATOM 0 HD3 PRO A 86 10.795 1.102 7.948 1.00 75.44 H new ATOM 1462 N ASP A 87 14.357 -3.274 7.336 1.00 55.14 N ATOM 1463 CA ASP A 87 14.957 -4.226 6.365 1.00 63.24 C ATOM 1464 C ASP A 87 13.877 -5.020 5.580 1.00 74.01 C ATOM 1465 O ASP A 87 14.080 -5.375 4.409 1.00 64.05 O ATOM 1466 CB ASP A 87 15.901 -5.207 7.109 1.00 42.24 C ATOM 1467 CG ASP A 87 17.015 -4.485 7.883 1.00 35.42 C ATOM 1468 OD1 ASP A 87 16.759 -4.025 9.017 1.00 61.32 O ATOM 1469 OD2 ASP A 87 18.146 -4.361 7.359 1.00 3.42 O ATOM 0 H ASP A 87 14.626 -3.462 8.302 1.00 55.14 H new ATOM 0 HA ASP A 87 15.525 -3.644 5.639 1.00 63.24 H new ATOM 0 HB2 ASP A 87 15.316 -5.812 7.802 1.00 42.24 H new ATOM 0 HB3 ASP A 87 16.349 -5.891 6.388 1.00 42.24 H new ATOM 1474 N LYS A 88 12.730 -5.271 6.246 1.00 23.31 N ATOM 1475 CA LYS A 88 11.571 -5.992 5.664 1.00 41.40 C ATOM 1476 C LYS A 88 10.961 -5.278 4.427 1.00 40.21 C ATOM 1477 O LYS A 88 10.340 -5.931 3.584 1.00 0.23 O ATOM 1478 CB LYS A 88 10.484 -6.213 6.755 1.00 54.12 C ATOM 1479 CG LYS A 88 9.920 -4.915 7.382 1.00 20.14 C ATOM 1480 CD LYS A 88 8.845 -5.138 8.487 1.00 54.14 C ATOM 1481 CE LYS A 88 7.450 -5.546 7.951 1.00 35.24 C ATOM 1482 NZ LYS A 88 7.429 -6.892 7.334 1.00 11.24 N ATOM 0 H LYS A 88 12.578 -4.978 7.211 1.00 23.31 H new ATOM 0 HA LYS A 88 11.942 -6.953 5.309 1.00 41.40 H new ATOM 0 HB2 LYS A 88 9.660 -6.776 6.318 1.00 54.12 H new ATOM 0 HB3 LYS A 88 10.906 -6.830 7.549 1.00 54.12 H new ATOM 0 HG2 LYS A 88 10.746 -4.345 7.808 1.00 20.14 H new ATOM 0 HG3 LYS A 88 9.486 -4.304 6.590 1.00 20.14 H new ATOM 0 HD2 LYS A 88 9.198 -5.911 9.170 1.00 54.14 H new ATOM 0 HD3 LYS A 88 8.743 -4.221 9.068 1.00 54.14 H new ATOM 0 HE2 LYS A 88 6.732 -5.519 8.770 1.00 35.24 H new ATOM 0 HE3 LYS A 88 7.122 -4.812 7.215 1.00 35.24 H new ATOM 0 HZ1 LYS A 88 6.510 -7.343 7.516 1.00 11.24 H new ATOM 0 HZ2 LYS A 88 7.576 -6.806 6.308 1.00 11.24 H new ATOM 0 HZ3 LYS A 88 8.187 -7.474 7.744 1.00 11.24 H new ATOM 1496 N TRP A 89 11.113 -3.939 4.335 1.00 34.24 N ATOM 1497 CA TRP A 89 10.632 -3.148 3.165 1.00 10.32 C ATOM 1498 C TRP A 89 11.785 -2.659 2.263 1.00 3.11 C ATOM 1499 O TRP A 89 11.535 -2.201 1.143 1.00 23.14 O ATOM 1500 CB TRP A 89 9.762 -1.949 3.632 1.00 2.43 C ATOM 1501 CG TRP A 89 8.517 -2.372 4.381 1.00 72.40 C ATOM 1502 CD1 TRP A 89 8.233 -2.162 5.701 1.00 63.42 C ATOM 1503 CD2 TRP A 89 7.402 -3.112 3.846 1.00 65.01 C ATOM 1504 NE1 TRP A 89 7.020 -2.716 6.012 1.00 73.11 N ATOM 1505 CE2 TRP A 89 6.491 -3.303 4.894 1.00 5.52 C ATOM 1506 CE3 TRP A 89 7.084 -3.625 2.578 1.00 71.00 C ATOM 1507 CZ2 TRP A 89 5.290 -3.990 4.722 1.00 23.24 C ATOM 1508 CZ3 TRP A 89 5.894 -4.304 2.409 1.00 10.55 C ATOM 1509 CH2 TRP A 89 5.008 -4.481 3.476 1.00 14.11 C ATOM 0 H TRP A 89 11.565 -3.376 5.055 1.00 34.24 H new ATOM 0 HA TRP A 89 10.020 -3.820 2.563 1.00 10.32 H new ATOM 0 HB2 TRP A 89 10.361 -1.301 4.272 1.00 2.43 H new ATOM 0 HB3 TRP A 89 9.472 -1.358 2.763 1.00 2.43 H new ATOM 0 HD1 TRP A 89 8.871 -1.637 6.396 1.00 63.42 H new ATOM 0 HE1 TRP A 89 6.580 -2.695 6.932 1.00 73.11 H new ATOM 0 HE3 TRP A 89 7.761 -3.490 1.747 1.00 71.00 H new ATOM 0 HZ2 TRP A 89 4.605 -4.130 5.545 1.00 23.24 H new ATOM 0 HZ3 TRP A 89 5.644 -4.705 1.438 1.00 10.55 H new ATOM 0 HH2 TRP A 89 4.084 -5.015 3.314 1.00 14.11 H new ATOM 1520 N ALA A 90 13.038 -2.798 2.740 1.00 50.55 N ATOM 1521 CA ALA A 90 14.252 -2.321 2.023 1.00 24.21 C ATOM 1522 C ALA A 90 14.389 -2.915 0.593 1.00 3.41 C ATOM 1523 O ALA A 90 14.816 -2.229 -0.343 1.00 3.14 O ATOM 1524 CB ALA A 90 15.509 -2.645 2.853 1.00 14.33 C ATOM 0 H ALA A 90 13.244 -3.244 3.634 1.00 50.55 H new ATOM 0 HA ALA A 90 14.148 -1.243 1.904 1.00 24.21 H new ATOM 0 HB1 ALA A 90 16.395 -2.294 2.324 1.00 14.33 H new ATOM 0 HB2 ALA A 90 15.444 -2.148 3.821 1.00 14.33 H new ATOM 0 HB3 ALA A 90 15.579 -3.722 3.002 1.00 14.33 H new ATOM 1530 N ASN A 91 14.023 -4.202 0.442 1.00 3.13 N ATOM 1531 CA ASN A 91 14.156 -4.950 -0.843 1.00 54.12 C ATOM 1532 C ASN A 91 12.777 -5.248 -1.499 1.00 23.21 C ATOM 1533 O ASN A 91 12.713 -5.931 -2.528 1.00 63.01 O ATOM 1534 CB ASN A 91 14.909 -6.279 -0.572 1.00 20.52 C ATOM 1535 CG ASN A 91 16.219 -6.069 0.190 1.00 43.22 C ATOM 1536 OD1 ASN A 91 16.245 -6.085 1.414 1.00 60.51 O ATOM 1537 ND2 ASN A 91 17.305 -5.842 -0.513 1.00 75.21 N ATOM 0 H ASN A 91 13.627 -4.760 1.199 1.00 3.13 H new ATOM 0 HA ASN A 91 14.714 -4.327 -1.542 1.00 54.12 H new ATOM 0 HB2 ASN A 91 14.264 -6.948 -0.001 1.00 20.52 H new ATOM 0 HB3 ASN A 91 15.120 -6.773 -1.521 1.00 20.52 H new ATOM 0 HD21 ASN A 91 18.193 -5.675 -0.040 1.00 75.21 H new ATOM 0 HD22 ASN A 91 17.260 -5.833 -1.532 1.00 75.21 H new ATOM 1544 N SER A 92 11.688 -4.725 -0.900 1.00 21.04 N ATOM 1545 CA SER A 92 10.297 -5.022 -1.333 1.00 50.32 C ATOM 1546 C SER A 92 9.922 -4.317 -2.653 1.00 72.44 C ATOM 1547 O SER A 92 10.039 -3.094 -2.762 1.00 74.40 O ATOM 1548 CB SER A 92 9.284 -4.621 -0.237 1.00 52.13 C ATOM 1549 OG SER A 92 9.414 -5.443 0.909 1.00 30.12 O ATOM 0 H SER A 92 11.741 -4.087 -0.106 1.00 21.04 H new ATOM 0 HA SER A 92 10.254 -6.098 -1.503 1.00 50.32 H new ATOM 0 HB2 SER A 92 9.439 -3.579 0.041 1.00 52.13 H new ATOM 0 HB3 SER A 92 8.270 -4.699 -0.630 1.00 52.13 H new ATOM 0 HG SER A 92 8.732 -5.195 1.568 1.00 30.12 H new ATOM 1555 N LYS A 93 9.440 -5.117 -3.628 1.00 52.34 N ATOM 1556 CA LYS A 93 8.904 -4.634 -4.927 1.00 51.23 C ATOM 1557 C LYS A 93 7.806 -3.556 -4.719 1.00 22.11 C ATOM 1558 O LYS A 93 7.847 -2.479 -5.325 1.00 33.34 O ATOM 1559 CB LYS A 93 8.328 -5.854 -5.715 1.00 52.42 C ATOM 1560 CG LYS A 93 7.549 -5.524 -7.010 1.00 64.32 C ATOM 1561 CD LYS A 93 8.428 -4.907 -8.119 1.00 14.21 C ATOM 1562 CE LYS A 93 7.602 -4.519 -9.360 1.00 13.11 C ATOM 1563 NZ LYS A 93 6.866 -5.676 -9.946 1.00 33.30 N ATOM 0 H LYS A 93 9.410 -6.133 -3.537 1.00 52.34 H new ATOM 0 HA LYS A 93 9.710 -4.170 -5.495 1.00 51.23 H new ATOM 0 HB2 LYS A 93 9.154 -6.517 -5.972 1.00 52.42 H new ATOM 0 HB3 LYS A 93 7.667 -6.410 -5.050 1.00 52.42 H new ATOM 0 HG2 LYS A 93 7.087 -6.436 -7.389 1.00 64.32 H new ATOM 0 HG3 LYS A 93 6.741 -4.833 -6.772 1.00 64.32 H new ATOM 0 HD2 LYS A 93 8.935 -4.024 -7.730 1.00 14.21 H new ATOM 0 HD3 LYS A 93 9.202 -5.619 -8.406 1.00 14.21 H new ATOM 0 HE2 LYS A 93 6.889 -3.740 -9.088 1.00 13.11 H new ATOM 0 HE3 LYS A 93 8.265 -4.095 -10.115 1.00 13.11 H new ATOM 0 HZ1 LYS A 93 6.368 -5.371 -10.807 1.00 33.30 H new ATOM 0 HZ2 LYS A 93 7.540 -6.431 -10.185 1.00 33.30 H new ATOM 0 HZ3 LYS A 93 6.176 -6.034 -9.255 1.00 33.30 H new ATOM 1577 N LEU A 94 6.865 -3.880 -3.823 1.00 34.23 N ATOM 1578 CA LEU A 94 5.715 -3.032 -3.457 1.00 20.04 C ATOM 1579 C LEU A 94 6.107 -1.594 -3.042 1.00 51.43 C ATOM 1580 O LEU A 94 5.484 -0.623 -3.481 1.00 34.22 O ATOM 1581 CB LEU A 94 4.976 -3.688 -2.277 1.00 54.34 C ATOM 1582 CG LEU A 94 3.723 -2.937 -1.753 1.00 54.43 C ATOM 1583 CD1 LEU A 94 2.564 -3.019 -2.763 1.00 31.05 C ATOM 1584 CD2 LEU A 94 3.326 -3.450 -0.365 1.00 10.13 C ATOM 0 H LEU A 94 6.880 -4.765 -3.316 1.00 34.23 H new ATOM 0 HA LEU A 94 5.090 -2.951 -4.346 1.00 20.04 H new ATOM 0 HB2 LEU A 94 4.674 -4.692 -2.577 1.00 54.34 H new ATOM 0 HB3 LEU A 94 5.679 -3.800 -1.452 1.00 54.34 H new ATOM 0 HG LEU A 94 3.971 -1.881 -1.647 1.00 54.43 H new ATOM 0 HD11 LEU A 94 1.700 -2.484 -2.369 1.00 31.05 H new ATOM 0 HD12 LEU A 94 2.871 -2.568 -3.707 1.00 31.05 H new ATOM 0 HD13 LEU A 94 2.300 -4.063 -2.929 1.00 31.05 H new ATOM 0 HD21 LEU A 94 2.446 -2.911 -0.016 1.00 10.13 H new ATOM 0 HD22 LEU A 94 3.100 -4.515 -0.421 1.00 10.13 H new ATOM 0 HD23 LEU A 94 4.149 -3.290 0.331 1.00 10.13 H new ATOM 1596 N LEU A 95 7.123 -1.480 -2.164 1.00 35.22 N ATOM 1597 CA LEU A 95 7.554 -0.180 -1.611 1.00 42.22 C ATOM 1598 C LEU A 95 8.069 0.764 -2.721 1.00 51.32 C ATOM 1599 O LEU A 95 7.764 1.953 -2.717 1.00 63.52 O ATOM 1600 CB LEU A 95 8.656 -0.360 -0.541 1.00 14.31 C ATOM 1601 CG LEU A 95 9.122 0.969 0.142 1.00 21.44 C ATOM 1602 CD1 LEU A 95 8.017 1.567 1.044 1.00 65.12 C ATOM 1603 CD2 LEU A 95 10.433 0.772 0.905 1.00 71.55 C ATOM 0 H LEU A 95 7.662 -2.275 -1.821 1.00 35.22 H new ATOM 0 HA LEU A 95 6.677 0.269 -1.145 1.00 42.22 H new ATOM 0 HB2 LEU A 95 8.290 -1.040 0.228 1.00 14.31 H new ATOM 0 HB3 LEU A 95 9.519 -0.838 -1.004 1.00 14.31 H new ATOM 0 HG LEU A 95 9.312 1.694 -0.650 1.00 21.44 H new ATOM 0 HD11 LEU A 95 8.379 2.489 1.500 1.00 65.12 H new ATOM 0 HD12 LEU A 95 7.134 1.782 0.443 1.00 65.12 H new ATOM 0 HD13 LEU A 95 7.759 0.852 1.826 1.00 65.12 H new ATOM 0 HD21 LEU A 95 10.730 1.713 1.368 1.00 71.55 H new ATOM 0 HD22 LEU A 95 10.294 0.016 1.678 1.00 71.55 H new ATOM 0 HD23 LEU A 95 11.211 0.446 0.214 1.00 71.55 H new ATOM 1615 N LYS A 96 8.843 0.205 -3.666 1.00 32.15 N ATOM 1616 CA LYS A 96 9.385 0.971 -4.812 1.00 1.55 C ATOM 1617 C LYS A 96 8.244 1.457 -5.738 1.00 31.12 C ATOM 1618 O LYS A 96 8.289 2.578 -6.235 1.00 51.44 O ATOM 1619 CB LYS A 96 10.447 0.141 -5.589 1.00 45.41 C ATOM 1620 CG LYS A 96 11.850 0.106 -4.924 1.00 21.03 C ATOM 1621 CD LYS A 96 11.906 -0.690 -3.596 1.00 51.43 C ATOM 1622 CE LYS A 96 13.246 -0.520 -2.857 1.00 1.11 C ATOM 1623 NZ LYS A 96 14.417 -0.888 -3.697 1.00 3.03 N ATOM 0 H LYS A 96 9.111 -0.779 -3.663 1.00 32.15 H new ATOM 0 HA LYS A 96 9.890 1.855 -4.423 1.00 1.55 H new ATOM 0 HB2 LYS A 96 10.084 -0.881 -5.696 1.00 45.41 H new ATOM 0 HB3 LYS A 96 10.545 0.551 -6.594 1.00 45.41 H new ATOM 0 HG2 LYS A 96 12.561 -0.330 -5.626 1.00 21.03 H new ATOM 0 HG3 LYS A 96 12.175 1.129 -4.735 1.00 21.03 H new ATOM 0 HD2 LYS A 96 11.094 -0.363 -2.947 1.00 51.43 H new ATOM 0 HD3 LYS A 96 11.742 -1.747 -3.804 1.00 51.43 H new ATOM 0 HE2 LYS A 96 13.348 0.516 -2.533 1.00 1.11 H new ATOM 0 HE3 LYS A 96 13.241 -1.137 -1.958 1.00 1.11 H new ATOM 0 HZ1 LYS A 96 15.286 -0.820 -3.130 1.00 3.03 H new ATOM 0 HZ2 LYS A 96 14.304 -1.863 -4.042 1.00 3.03 H new ATOM 0 HZ3 LYS A 96 14.481 -0.239 -4.507 1.00 3.03 H new ATOM 1637 N GLN A 97 7.209 0.609 -5.913 1.00 34.21 N ATOM 1638 CA GLN A 97 5.947 0.981 -6.609 1.00 32.43 C ATOM 1639 C GLN A 97 5.239 2.166 -5.897 1.00 12.33 C ATOM 1640 O GLN A 97 4.740 3.093 -6.544 1.00 1.53 O ATOM 1641 CB GLN A 97 4.980 -0.241 -6.657 1.00 61.33 C ATOM 1642 CG GLN A 97 5.502 -1.481 -7.411 1.00 64.22 C ATOM 1643 CD GLN A 97 5.736 -1.243 -8.904 1.00 72.34 C ATOM 1644 OE1 GLN A 97 4.839 -1.413 -9.722 1.00 11.01 O ATOM 1645 NE2 GLN A 97 6.942 -0.863 -9.274 1.00 13.40 N ATOM 0 H GLN A 97 7.219 -0.354 -5.578 1.00 34.21 H new ATOM 0 HA GLN A 97 6.205 1.288 -7.623 1.00 32.43 H new ATOM 0 HB2 GLN A 97 4.744 -0.534 -5.634 1.00 61.33 H new ATOM 0 HB3 GLN A 97 4.046 0.077 -7.121 1.00 61.33 H new ATOM 0 HG2 GLN A 97 6.437 -1.806 -6.954 1.00 64.22 H new ATOM 0 HG3 GLN A 97 4.788 -2.295 -7.290 1.00 64.22 H new ATOM 0 HE21 GLN A 97 7.671 -0.728 -8.574 1.00 13.40 H new ATOM 0 HE22 GLN A 97 7.146 -0.703 -10.261 1.00 13.40 H new ATOM 1654 N LEU A 98 5.214 2.106 -4.549 1.00 62.04 N ATOM 1655 CA LEU A 98 4.537 3.103 -3.682 1.00 14.25 C ATOM 1656 C LEU A 98 5.241 4.479 -3.739 1.00 72.21 C ATOM 1657 O LEU A 98 4.586 5.521 -3.749 1.00 61.53 O ATOM 1658 CB LEU A 98 4.492 2.576 -2.218 1.00 75.04 C ATOM 1659 CG LEU A 98 3.695 3.445 -1.190 1.00 21.31 C ATOM 1660 CD1 LEU A 98 2.190 3.488 -1.538 1.00 13.41 C ATOM 1661 CD2 LEU A 98 3.929 2.961 0.260 1.00 75.33 C ATOM 0 H LEU A 98 5.667 1.358 -4.023 1.00 62.04 H new ATOM 0 HA LEU A 98 3.521 3.242 -4.050 1.00 14.25 H new ATOM 0 HB2 LEU A 98 4.059 1.576 -2.228 1.00 75.04 H new ATOM 0 HB3 LEU A 98 5.516 2.476 -1.859 1.00 75.04 H new ATOM 0 HG LEU A 98 4.075 4.465 -1.257 1.00 21.31 H new ATOM 0 HD11 LEU A 98 1.664 4.100 -0.805 1.00 13.41 H new ATOM 0 HD12 LEU A 98 2.058 3.918 -2.531 1.00 13.41 H new ATOM 0 HD13 LEU A 98 1.784 2.476 -1.524 1.00 13.41 H new ATOM 0 HD21 LEU A 98 3.361 3.586 0.949 1.00 75.33 H new ATOM 0 HD22 LEU A 98 3.601 1.926 0.355 1.00 75.33 H new ATOM 0 HD23 LEU A 98 4.990 3.029 0.500 1.00 75.33 H new ATOM 1673 N GLN A 99 6.584 4.452 -3.763 1.00 73.44 N ATOM 1674 CA GLN A 99 7.429 5.664 -3.884 1.00 73.24 C ATOM 1675 C GLN A 99 7.288 6.317 -5.282 1.00 72.21 C ATOM 1676 O GLN A 99 7.251 7.549 -5.390 1.00 61.11 O ATOM 1677 CB GLN A 99 8.908 5.302 -3.588 1.00 74.34 C ATOM 1678 CG GLN A 99 9.167 4.835 -2.136 1.00 22.44 C ATOM 1679 CD GLN A 99 10.608 4.376 -1.880 1.00 62.52 C ATOM 1680 OE1 GLN A 99 11.279 3.850 -2.769 1.00 23.01 O ATOM 1681 NE2 GLN A 99 11.097 4.569 -0.667 1.00 32.11 N ATOM 0 H GLN A 99 7.122 3.588 -3.699 1.00 73.44 H new ATOM 0 HA GLN A 99 7.089 6.396 -3.152 1.00 73.24 H new ATOM 0 HB2 GLN A 99 9.222 4.514 -4.273 1.00 74.34 H new ATOM 0 HB3 GLN A 99 9.532 6.171 -3.795 1.00 74.34 H new ATOM 0 HG2 GLN A 99 8.929 5.651 -1.454 1.00 22.44 H new ATOM 0 HG3 GLN A 99 8.488 4.016 -1.901 1.00 22.44 H new ATOM 0 HE21 GLN A 99 10.521 5.007 0.052 1.00 32.11 H new ATOM 0 HE22 GLN A 99 12.051 4.280 -0.450 1.00 32.11 H new ATOM 1690 N GLU A 100 7.197 5.473 -6.336 1.00 35.22 N ATOM 1691 CA GLU A 100 6.937 5.930 -7.725 1.00 63.54 C ATOM 1692 C GLU A 100 5.569 6.637 -7.831 1.00 71.31 C ATOM 1693 O GLU A 100 5.454 7.684 -8.469 1.00 42.31 O ATOM 1694 CB GLU A 100 6.998 4.737 -8.725 1.00 63.44 C ATOM 1695 CG GLU A 100 8.402 4.132 -8.916 1.00 52.32 C ATOM 1696 CD GLU A 100 8.421 2.902 -9.843 1.00 52.11 C ATOM 1697 OE1 GLU A 100 7.781 1.888 -9.515 1.00 22.01 O ATOM 1698 OE2 GLU A 100 9.094 2.928 -10.898 1.00 61.55 O ATOM 0 H GLU A 100 7.301 4.462 -6.251 1.00 35.22 H new ATOM 0 HA GLU A 100 7.717 6.645 -7.986 1.00 63.54 H new ATOM 0 HB2 GLU A 100 6.323 3.954 -8.378 1.00 63.44 H new ATOM 0 HB3 GLU A 100 6.626 5.072 -9.693 1.00 63.44 H new ATOM 0 HG2 GLU A 100 9.065 4.895 -9.324 1.00 52.32 H new ATOM 0 HG3 GLU A 100 8.803 3.849 -7.942 1.00 52.32 H new ATOM 1705 N PHE A 101 4.542 6.052 -7.185 1.00 65.24 N ATOM 1706 CA PHE A 101 3.180 6.624 -7.172 1.00 42.03 C ATOM 1707 C PHE A 101 3.108 7.917 -6.335 1.00 43.12 C ATOM 1708 O PHE A 101 2.507 8.891 -6.768 1.00 23.24 O ATOM 1709 CB PHE A 101 2.138 5.605 -6.643 1.00 45.54 C ATOM 1710 CG PHE A 101 0.698 6.122 -6.720 1.00 0.30 C ATOM 1711 CD1 PHE A 101 0.143 6.459 -7.957 1.00 51.43 C ATOM 1712 CD2 PHE A 101 -0.084 6.318 -5.578 1.00 51.40 C ATOM 1713 CE1 PHE A 101 -1.135 6.959 -8.052 1.00 64.20 C ATOM 1714 CE2 PHE A 101 -1.369 6.825 -5.680 1.00 53.40 C ATOM 1715 CZ PHE A 101 -1.891 7.144 -6.922 1.00 53.20 C ATOM 0 H PHE A 101 4.630 5.180 -6.663 1.00 65.24 H new ATOM 0 HA PHE A 101 2.940 6.867 -8.207 1.00 42.03 H new ATOM 0 HB2 PHE A 101 2.217 4.682 -7.217 1.00 45.54 H new ATOM 0 HB3 PHE A 101 2.374 5.358 -5.608 1.00 45.54 H new ATOM 0 HD1 PHE A 101 0.728 6.325 -8.855 1.00 51.43 H new ATOM 0 HD2 PHE A 101 0.318 6.072 -4.606 1.00 51.40 H new ATOM 0 HE1 PHE A 101 -1.545 7.207 -9.020 1.00 64.20 H new ATOM 0 HE2 PHE A 101 -1.964 6.971 -4.791 1.00 53.40 H new ATOM 0 HZ PHE A 101 -2.893 7.538 -7.001 1.00 53.20 H new ATOM 1725 N SER A 102 3.729 7.900 -5.143 1.00 5.33 N ATOM 1726 CA SER A 102 3.643 9.003 -4.146 1.00 24.03 C ATOM 1727 C SER A 102 3.984 10.384 -4.747 1.00 3.04 C ATOM 1728 O SER A 102 3.219 11.338 -4.601 1.00 63.20 O ATOM 1729 CB SER A 102 4.578 8.716 -2.962 1.00 23.44 C ATOM 1730 OG SER A 102 4.476 9.716 -1.959 1.00 41.14 O ATOM 0 H SER A 102 4.310 7.121 -4.834 1.00 5.33 H new ATOM 0 HA SER A 102 2.607 9.042 -3.810 1.00 24.03 H new ATOM 0 HB2 SER A 102 4.335 7.744 -2.533 1.00 23.44 H new ATOM 0 HB3 SER A 102 5.607 8.659 -3.316 1.00 23.44 H new ATOM 0 HG SER A 102 4.815 9.363 -1.110 1.00 41.14 H new ATOM 1736 N GLU A 103 5.124 10.462 -5.440 1.00 44.30 N ATOM 1737 CA GLU A 103 5.565 11.698 -6.123 1.00 3.45 C ATOM 1738 C GLU A 103 4.755 11.954 -7.430 1.00 72.20 C ATOM 1739 O GLU A 103 4.453 13.100 -7.773 1.00 5.22 O ATOM 1740 CB GLU A 103 7.090 11.606 -6.418 1.00 52.11 C ATOM 1741 CG GLU A 103 7.509 10.385 -7.271 1.00 64.15 C ATOM 1742 CD GLU A 103 9.015 10.321 -7.554 1.00 62.43 C ATOM 1743 OE1 GLU A 103 9.531 11.213 -8.263 1.00 44.50 O ATOM 1744 OE2 GLU A 103 9.690 9.373 -7.096 1.00 11.14 O ATOM 0 H GLU A 103 5.769 9.679 -5.548 1.00 44.30 H new ATOM 0 HA GLU A 103 5.376 12.546 -5.465 1.00 3.45 H new ATOM 0 HB2 GLU A 103 7.403 12.515 -6.931 1.00 52.11 H new ATOM 0 HB3 GLU A 103 7.629 11.573 -5.471 1.00 52.11 H new ATOM 0 HG2 GLU A 103 7.205 9.473 -6.758 1.00 64.15 H new ATOM 0 HG3 GLU A 103 6.971 10.412 -8.218 1.00 64.15 H new ATOM 1751 N ASN A 104 4.378 10.866 -8.133 1.00 21.41 N ATOM 1752 CA ASN A 104 3.768 10.924 -9.485 1.00 52.24 C ATOM 1753 C ASN A 104 2.279 10.477 -9.486 1.00 1.02 C ATOM 1754 O ASN A 104 1.842 9.770 -10.406 1.00 74.25 O ATOM 1755 CB ASN A 104 4.609 10.045 -10.461 1.00 71.13 C ATOM 1756 CG ASN A 104 6.051 10.528 -10.643 1.00 51.15 C ATOM 1757 OD1 ASN A 104 6.326 11.722 -10.647 1.00 21.32 O ATOM 1758 ND2 ASN A 104 6.984 9.605 -10.775 1.00 21.14 N ATOM 0 H ASN A 104 4.487 9.915 -7.780 1.00 21.41 H new ATOM 0 HA ASN A 104 3.777 11.962 -9.817 1.00 52.24 H new ATOM 0 HB2 ASN A 104 4.623 9.020 -10.091 1.00 71.13 H new ATOM 0 HB3 ASN A 104 4.117 10.026 -11.433 1.00 71.13 H new ATOM 0 HD21 ASN A 104 7.961 9.879 -10.884 1.00 21.14 H new ATOM 0 HD22 ASN A 104 6.729 8.617 -10.768 1.00 21.14 H new