USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 74 ASN : amide:sc= -2.36! C(o=-7.4!,f=-15!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -5.02! C(o=-7.4!,f=-12!) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.565 K(o=-3.5,f=-4.4) USER MOD Set 2.2: A 61 SER OG : rot -104:sc= -2.92! USER MOD Set 3.1: A 42 THR OG1 : rot -82:sc= -1.31! USER MOD Set 3.2: A 43 HIS : no HD1:sc= -10.6! C(o=-12!,f=-12!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 31 SER OG : rot -57:sc= 0.00999 USER MOD Single : A 32 SER OG : rot 173:sc= -0.724! USER MOD Single : A 35 HIS : no HD1:sc= -14.8! C(o=-15!,f=-25!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -112:sc= -12! (180deg=-20!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= 0.867 (180deg=0.267) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 15:sc= 0 USER MOD Single : A 52 CYS SG : rot -41:sc= -10.1! USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc= -3.06! X(o=-3.1!,f=-2.7) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 76 THR OG1 : rot 72:sc= 0.688 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -177:sc= -1.72 (180deg=-1.84) USER MOD Single : A 91 TYR OH : rot 30:sc= -0.446 USER MOD Single : A 92 GLN : amide:sc= -0.0902 K(o=-0.09,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 310 N TYR A 21 74.308 1.935 -8.008 1.00 0.00 N ATOM 311 CA TYR A 21 75.500 2.821 -7.985 1.00 0.00 C ATOM 312 C TYR A 21 75.365 3.716 -6.763 1.00 0.00 C ATOM 313 O TYR A 21 74.347 4.347 -6.556 1.00 0.00 O ATOM 314 CB TYR A 21 75.458 3.674 -9.249 1.00 0.00 C ATOM 315 CG TYR A 21 75.561 2.805 -10.478 1.00 0.00 C ATOM 316 CD1 TYR A 21 76.792 2.259 -10.844 1.00 0.00 C ATOM 317 CD2 TYR A 21 74.430 2.562 -11.261 1.00 0.00 C ATOM 318 CE1 TYR A 21 76.891 1.465 -11.988 1.00 0.00 C ATOM 319 CE2 TYR A 21 74.529 1.770 -12.408 1.00 0.00 C ATOM 320 CZ TYR A 21 75.761 1.222 -12.773 1.00 0.00 C ATOM 321 OH TYR A 21 75.867 0.446 -13.906 1.00 0.00 O ATOM 0 HA TYR A 21 76.434 2.261 -7.944 1.00 0.00 H new ATOM 0 HB2 TYR A 21 74.531 4.246 -9.278 1.00 0.00 H new ATOM 0 HB3 TYR A 21 76.276 4.394 -9.236 1.00 0.00 H new ATOM 0 HD1 TYR A 21 77.668 2.451 -10.242 1.00 0.00 H new ATOM 0 HD2 TYR A 21 73.478 2.987 -10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 21 77.843 1.038 -12.267 1.00 0.00 H new ATOM 0 HE2 TYR A 21 73.654 1.582 -13.012 1.00 0.00 H new ATOM 0 HH TYR A 21 74.990 0.374 -14.337 1.00 0.00 H new ATOM 331 N ILE A 22 76.354 3.757 -5.934 1.00 0.00 N ATOM 332 CA ILE A 22 76.235 4.590 -4.712 1.00 0.00 C ATOM 333 C ILE A 22 77.336 5.626 -4.680 1.00 0.00 C ATOM 334 O ILE A 22 78.364 5.441 -5.285 1.00 0.00 O ATOM 335 CB ILE A 22 76.425 3.599 -3.574 1.00 0.00 C ATOM 336 CG1 ILE A 22 77.861 3.028 -3.658 1.00 0.00 C ATOM 337 CG2 ILE A 22 75.378 2.500 -3.733 1.00 0.00 C ATOM 338 CD1 ILE A 22 77.857 1.507 -3.861 1.00 0.00 C ATOM 0 H ILE A 22 77.236 3.256 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 22 75.287 5.126 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 22 76.299 4.069 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 22 78.394 3.503 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 22 78.403 3.272 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 22 75.489 1.772 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.381 2.938 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.515 2.003 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 22 78.884 1.144 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 77.347 1.030 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 77.338 1.265 -4.788 1.00 0.00 H new ATOM 350 N LYS A 23 77.169 6.681 -3.929 1.00 0.00 N ATOM 351 CA LYS A 23 78.274 7.657 -3.832 1.00 0.00 C ATOM 352 C LYS A 23 79.072 7.276 -2.596 1.00 0.00 C ATOM 353 O LYS A 23 78.644 7.470 -1.475 1.00 0.00 O ATOM 354 CB LYS A 23 77.633 9.041 -3.693 1.00 0.00 C ATOM 355 CG LYS A 23 78.732 10.106 -3.630 1.00 0.00 C ATOM 356 CD LYS A 23 78.131 11.424 -3.144 1.00 0.00 C ATOM 357 CE LYS A 23 77.841 11.314 -1.650 1.00 0.00 C ATOM 358 NZ LYS A 23 77.312 12.648 -1.257 1.00 0.00 N ATOM 0 H LYS A 23 76.331 6.901 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 23 78.936 7.665 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.972 9.234 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.020 9.081 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 23 79.527 9.785 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 23 79.182 10.239 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 23 78.821 12.246 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 23 77.214 11.644 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 23 77.115 10.527 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.743 11.068 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 77.090 12.648 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 78.027 13.377 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.449 12.853 -1.800 1.00 0.00 H new ATOM 372 N LEU A 24 80.221 6.699 -2.800 1.00 0.00 N ATOM 373 CA LEU A 24 81.051 6.264 -1.654 1.00 0.00 C ATOM 374 C LEU A 24 82.290 7.147 -1.552 1.00 0.00 C ATOM 375 O LEU A 24 82.988 7.359 -2.525 1.00 0.00 O ATOM 376 CB LEU A 24 81.422 4.814 -1.978 1.00 0.00 C ATOM 377 CG LEU A 24 82.129 4.191 -0.783 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.785 2.707 -0.725 1.00 0.00 C ATOM 379 CD2 LEU A 24 83.643 4.353 -0.926 1.00 0.00 C ATOM 0 H LEU A 24 80.620 6.510 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 24 80.536 6.341 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.525 4.244 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 24 82.069 4.780 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 24 81.803 4.689 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 82.287 2.250 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.707 2.587 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 24 82.115 2.221 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 24 84.140 3.904 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 24 83.977 3.858 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 83.892 5.413 -0.976 1.00 0.00 H new ATOM 391 N LYS A 25 82.562 7.673 -0.387 1.00 0.00 N ATOM 392 CA LYS A 25 83.756 8.551 -0.233 1.00 0.00 C ATOM 393 C LYS A 25 84.687 8.004 0.860 1.00 0.00 C ATOM 394 O LYS A 25 84.255 7.723 1.961 1.00 0.00 O ATOM 395 CB LYS A 25 83.193 9.908 0.186 1.00 0.00 C ATOM 396 CG LYS A 25 82.567 9.799 1.590 1.00 0.00 C ATOM 397 CD LYS A 25 81.896 11.125 1.959 1.00 0.00 C ATOM 398 CE LYS A 25 80.916 10.912 3.125 1.00 0.00 C ATOM 399 NZ LYS A 25 80.434 12.277 3.492 1.00 0.00 N ATOM 0 H LYS A 25 82.011 7.533 0.460 1.00 0.00 H new ATOM 0 HA LYS A 25 84.342 8.610 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.985 10.657 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.443 10.239 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.835 8.992 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 25 83.335 9.552 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.652 11.859 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.365 11.526 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.087 10.269 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.408 10.429 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.761 12.207 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.243 12.866 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.962 12.710 2.673 1.00 0.00 H new ATOM 413 N VAL A 26 85.957 7.855 0.575 1.00 0.00 N ATOM 414 CA VAL A 26 86.896 7.326 1.619 1.00 0.00 C ATOM 415 C VAL A 26 88.074 8.282 1.847 1.00 0.00 C ATOM 416 O VAL A 26 88.605 8.870 0.925 1.00 0.00 O ATOM 417 CB VAL A 26 87.406 5.986 1.076 1.00 0.00 C ATOM 418 CG1 VAL A 26 86.232 5.151 0.560 1.00 0.00 C ATOM 419 CG2 VAL A 26 88.403 6.221 -0.061 1.00 0.00 C ATOM 0 H VAL A 26 86.384 8.074 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 26 86.391 7.218 2.579 1.00 0.00 H new ATOM 0 HB VAL A 26 87.905 5.450 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.603 4.201 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 26 85.532 4.965 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.724 5.692 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.758 5.262 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.914 6.769 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 26 89.249 6.800 0.310 1.00 0.00 H new ATOM 429 N ILE A 27 88.502 8.426 3.068 1.00 0.00 N ATOM 430 CA ILE A 27 89.658 9.320 3.344 1.00 0.00 C ATOM 431 C ILE A 27 90.682 8.595 4.220 1.00 0.00 C ATOM 432 O ILE A 27 90.355 7.650 4.907 1.00 0.00 O ATOM 433 CB ILE A 27 89.070 10.524 4.069 1.00 0.00 C ATOM 434 CG1 ILE A 27 88.376 10.067 5.352 1.00 0.00 C ATOM 435 CG2 ILE A 27 88.055 11.199 3.153 1.00 0.00 C ATOM 436 CD1 ILE A 27 88.212 11.259 6.301 1.00 0.00 C ATOM 0 H ILE A 27 88.103 7.965 3.885 1.00 0.00 H new ATOM 0 HA ILE A 27 90.179 9.620 2.435 1.00 0.00 H new ATOM 0 HB ILE A 27 89.865 11.224 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 27 87.401 9.639 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 27 88.960 9.283 5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 27 87.626 12.063 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 27 88.550 11.524 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 27 87.262 10.493 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 27 87.717 10.931 7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 27 89.193 11.667 6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 27 87.609 12.028 5.818 1.00 0.00 H new ATOM 448 N GLY A 28 91.920 9.017 4.197 1.00 0.00 N ATOM 449 CA GLY A 28 92.954 8.330 5.026 1.00 0.00 C ATOM 450 C GLY A 28 93.902 9.355 5.690 1.00 0.00 C ATOM 451 O GLY A 28 94.032 10.487 5.237 1.00 0.00 O ATOM 0 H GLY A 28 92.258 9.804 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 28 92.468 7.728 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 28 93.531 7.647 4.402 1.00 0.00 H new ATOM 455 N GLN A 29 94.568 8.941 6.757 1.00 0.00 N ATOM 456 CA GLN A 29 95.523 9.835 7.503 1.00 0.00 C ATOM 457 C GLN A 29 96.505 10.536 6.557 1.00 0.00 C ATOM 458 O GLN A 29 97.126 11.516 6.916 1.00 0.00 O ATOM 459 CB GLN A 29 96.295 8.894 8.444 1.00 0.00 C ATOM 460 CG GLN A 29 97.222 9.710 9.351 1.00 0.00 C ATOM 461 CD GLN A 29 98.176 8.767 10.087 1.00 0.00 C ATOM 462 OE1 GLN A 29 97.898 7.594 10.230 1.00 0.00 O ATOM 463 NE2 GLN A 29 99.300 9.230 10.560 1.00 0.00 N ATOM 0 H GLN A 29 94.485 8.002 7.146 1.00 0.00 H new ATOM 0 HA GLN A 29 94.987 10.624 8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 29 95.596 8.316 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 29 96.878 8.180 7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 29 97.789 10.428 8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 29 96.634 10.283 10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 29 99.536 10.215 10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 29 99.943 8.607 11.049 1.00 0.00 H new ATOM 472 N ASP A 30 96.668 10.031 5.366 1.00 0.00 N ATOM 473 CA ASP A 30 97.628 10.653 4.402 1.00 0.00 C ATOM 474 C ASP A 30 97.027 11.904 3.748 1.00 0.00 C ATOM 475 O ASP A 30 97.501 12.370 2.730 1.00 0.00 O ATOM 476 CB ASP A 30 97.865 9.573 3.346 1.00 0.00 C ATOM 477 CG ASP A 30 96.554 9.293 2.600 1.00 0.00 C ATOM 478 OD1 ASP A 30 95.534 9.822 3.014 1.00 0.00 O ATOM 479 OD2 ASP A 30 96.591 8.556 1.626 1.00 0.00 O ATOM 0 H ASP A 30 96.176 9.210 5.014 1.00 0.00 H new ATOM 0 HA ASP A 30 98.546 10.973 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.633 9.897 2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.229 8.661 3.818 1.00 0.00 H new ATOM 484 N SER A 31 95.989 12.448 4.312 1.00 0.00 N ATOM 485 CA SER A 31 95.362 13.658 3.711 1.00 0.00 C ATOM 486 C SER A 31 94.739 13.307 2.356 1.00 0.00 C ATOM 487 O SER A 31 94.771 14.087 1.423 1.00 0.00 O ATOM 488 CB SER A 31 96.504 14.662 3.531 1.00 0.00 C ATOM 489 OG SER A 31 95.963 15.972 3.408 1.00 0.00 O ATOM 0 H SER A 31 95.545 12.108 5.165 1.00 0.00 H new ATOM 0 HA SER A 31 94.566 14.062 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 31 97.183 14.615 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 97.087 14.412 2.645 1.00 0.00 H new ATOM 0 HG SER A 31 95.337 15.998 2.654 1.00 0.00 H new ATOM 495 N SER A 32 94.164 12.143 2.230 1.00 0.00 N ATOM 496 CA SER A 32 93.547 11.782 0.912 1.00 0.00 C ATOM 497 C SER A 32 92.014 11.763 1.026 1.00 0.00 C ATOM 498 O SER A 32 91.463 11.049 1.830 1.00 0.00 O ATOM 499 CB SER A 32 94.070 10.379 0.593 1.00 0.00 C ATOM 500 OG SER A 32 95.485 10.412 0.430 1.00 0.00 O ATOM 0 H SER A 32 94.092 11.436 2.962 1.00 0.00 H new ATOM 0 HA SER A 32 93.802 12.501 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 32 93.804 9.692 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 32 93.600 10.005 -0.316 1.00 0.00 H new ATOM 0 HG SER A 32 95.826 9.497 0.344 1.00 0.00 H new ATOM 506 N GLU A 33 91.324 12.539 0.222 1.00 0.00 N ATOM 507 CA GLU A 33 89.826 12.560 0.276 1.00 0.00 C ATOM 508 C GLU A 33 89.250 12.193 -1.088 1.00 0.00 C ATOM 509 O GLU A 33 89.483 12.878 -2.066 1.00 0.00 O ATOM 510 CB GLU A 33 89.467 14.005 0.616 1.00 0.00 C ATOM 511 CG GLU A 33 87.952 14.199 0.544 1.00 0.00 C ATOM 512 CD GLU A 33 87.581 15.472 1.307 1.00 0.00 C ATOM 513 OE1 GLU A 33 88.456 16.021 1.954 1.00 0.00 O ATOM 514 OE2 GLU A 33 86.435 15.877 1.231 1.00 0.00 O ATOM 0 H GLU A 33 91.736 13.162 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 33 89.429 11.850 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.826 14.252 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.962 14.684 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 33 87.630 14.274 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 33 87.440 13.338 0.975 1.00 0.00 H new ATOM 521 N ILE A 34 88.495 11.135 -1.178 1.00 0.00 N ATOM 522 CA ILE A 34 87.923 10.774 -2.506 1.00 0.00 C ATOM 523 C ILE A 34 86.404 10.676 -2.418 1.00 0.00 C ATOM 524 O ILE A 34 85.865 9.866 -1.692 1.00 0.00 O ATOM 525 CB ILE A 34 88.540 9.414 -2.873 1.00 0.00 C ATOM 526 CG1 ILE A 34 90.005 9.399 -2.465 1.00 0.00 C ATOM 527 CG2 ILE A 34 88.465 9.208 -4.387 1.00 0.00 C ATOM 528 CD1 ILE A 34 90.703 10.616 -3.077 1.00 0.00 C ATOM 0 H ILE A 34 88.252 10.514 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 34 88.148 11.526 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 34 87.993 8.625 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 90.094 9.420 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 90.482 8.480 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 34 88.903 8.244 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 34 87.423 9.231 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 34 89.016 10.003 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 34 91.755 10.615 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 34 90.623 10.573 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 34 90.229 11.528 -2.714 1.00 0.00 H new ATOM 540 N HIS A 35 85.704 11.477 -3.166 1.00 0.00 N ATOM 541 CA HIS A 35 84.223 11.392 -3.130 1.00 0.00 C ATOM 542 C HIS A 35 83.729 10.964 -4.506 1.00 0.00 C ATOM 543 O HIS A 35 83.768 11.725 -5.452 1.00 0.00 O ATOM 544 CB HIS A 35 83.718 12.795 -2.784 1.00 0.00 C ATOM 545 CG HIS A 35 84.205 13.169 -1.414 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.580 12.716 -0.262 1.00 0.00 N ATOM 547 CD2 HIS A 35 85.273 13.917 -0.992 1.00 0.00 C ATOM 548 CE1 HIS A 35 84.277 13.183 0.788 1.00 0.00 C ATOM 549 NE2 HIS A 35 85.316 13.921 0.399 1.00 0.00 N ATOM 0 H HIS A 35 86.090 12.181 -3.795 1.00 0.00 H new ATOM 0 HA HIS A 35 83.864 10.669 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.076 13.515 -3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 35 82.629 12.821 -2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 35 85.973 14.425 -1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 35 84.026 12.985 1.820 1.00 0.00 H new ATOM 0 HE2 HIS A 35 85.999 14.390 0.995 1.00 0.00 H new ATOM 557 N PHE A 36 83.289 9.748 -4.644 1.00 0.00 N ATOM 558 CA PHE A 36 82.829 9.290 -5.976 1.00 0.00 C ATOM 559 C PHE A 36 81.840 8.127 -5.838 1.00 0.00 C ATOM 560 O PHE A 36 81.699 7.553 -4.778 1.00 0.00 O ATOM 561 CB PHE A 36 84.130 8.895 -6.666 1.00 0.00 C ATOM 562 CG PHE A 36 84.802 7.754 -5.936 1.00 0.00 C ATOM 563 CD1 PHE A 36 85.531 7.994 -4.761 1.00 0.00 C ATOM 564 CD2 PHE A 36 84.711 6.457 -6.443 1.00 0.00 C ATOM 565 CE1 PHE A 36 86.166 6.931 -4.104 1.00 0.00 C ATOM 566 CE2 PHE A 36 85.345 5.400 -5.787 1.00 0.00 C ATOM 567 CZ PHE A 36 86.070 5.636 -4.617 1.00 0.00 C ATOM 0 H PHE A 36 83.229 9.057 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 36 82.280 10.041 -6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 36 83.926 8.603 -7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 36 84.801 9.753 -6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 36 85.603 8.996 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 36 84.148 6.270 -7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 36 86.730 7.114 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 36 85.275 4.398 -6.185 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.557 4.817 -4.109 1.00 0.00 H new ATOM 577 N LYS A 37 81.129 7.792 -6.886 1.00 0.00 N ATOM 578 CA LYS A 37 80.132 6.688 -6.778 1.00 0.00 C ATOM 579 C LYS A 37 80.630 5.436 -7.496 1.00 0.00 C ATOM 580 O LYS A 37 81.345 5.508 -8.476 1.00 0.00 O ATOM 581 CB LYS A 37 78.882 7.210 -7.483 1.00 0.00 C ATOM 582 CG LYS A 37 78.509 8.593 -6.937 1.00 0.00 C ATOM 583 CD LYS A 37 77.593 9.289 -7.941 1.00 0.00 C ATOM 584 CE LYS A 37 76.321 8.460 -8.091 1.00 0.00 C ATOM 585 NZ LYS A 37 75.526 9.157 -9.130 1.00 0.00 N ATOM 0 H LYS A 37 81.196 8.232 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 37 79.950 6.417 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 37 79.059 7.270 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 37 78.055 6.516 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.008 8.496 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.407 9.188 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 37 77.351 10.295 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 37 78.094 9.391 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 37 76.550 7.437 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 37 75.775 8.402 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 74.635 8.644 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 75.317 10.126 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 76.068 9.191 -10.017 1.00 0.00 H new ATOM 599 N VAL A 38 80.240 4.293 -7.015 1.00 0.00 N ATOM 600 CA VAL A 38 80.663 3.017 -7.657 1.00 0.00 C ATOM 601 C VAL A 38 79.509 2.007 -7.641 1.00 0.00 C ATOM 602 O VAL A 38 78.503 2.212 -6.990 1.00 0.00 O ATOM 603 CB VAL A 38 81.837 2.524 -6.818 1.00 0.00 C ATOM 604 CG1 VAL A 38 83.041 3.430 -7.059 1.00 0.00 C ATOM 605 CG2 VAL A 38 81.469 2.565 -5.333 1.00 0.00 C ATOM 0 H VAL A 38 79.641 4.185 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 38 80.944 3.149 -8.702 1.00 0.00 H new ATOM 0 HB VAL A 38 82.077 1.500 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.884 3.082 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 38 83.310 3.404 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.791 4.452 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.312 2.212 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 38 81.227 3.588 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.605 1.924 -5.154 1.00 0.00 H new ATOM 615 N LYS A 39 79.630 0.923 -8.360 1.00 0.00 N ATOM 616 CA LYS A 39 78.524 -0.073 -8.378 1.00 0.00 C ATOM 617 C LYS A 39 78.886 -1.275 -7.506 1.00 0.00 C ATOM 618 O LYS A 39 79.861 -1.957 -7.731 1.00 0.00 O ATOM 619 CB LYS A 39 78.389 -0.486 -9.843 1.00 0.00 C ATOM 620 CG LYS A 39 79.622 -1.289 -10.282 1.00 0.00 C ATOM 621 CD LYS A 39 79.457 -1.725 -11.739 1.00 0.00 C ATOM 622 CE LYS A 39 80.761 -2.370 -12.219 1.00 0.00 C ATOM 623 NZ LYS A 39 80.362 -3.478 -13.132 1.00 0.00 N ATOM 0 H LYS A 39 80.441 0.687 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 39 77.592 0.332 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 39 77.488 -1.085 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.280 0.399 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.521 -0.683 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.747 -2.163 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.632 -2.432 -11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 39 79.210 -0.866 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.387 -1.644 -12.738 1.00 0.00 H new ATOM 0 HE3 LYS A 39 81.342 -2.748 -11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 81.213 -3.955 -13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.775 -4.161 -12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 79.819 -3.091 -13.930 1.00 0.00 H new ATOM 637 N MET A 40 78.116 -1.539 -6.499 1.00 0.00 N ATOM 638 CA MET A 40 78.445 -2.697 -5.627 1.00 0.00 C ATOM 639 C MET A 40 77.301 -3.718 -5.621 1.00 0.00 C ATOM 640 O MET A 40 76.368 -3.617 -4.848 1.00 0.00 O ATOM 641 CB MET A 40 78.656 -2.088 -4.243 1.00 0.00 C ATOM 642 CG MET A 40 79.874 -1.148 -4.271 1.00 0.00 C ATOM 643 SD MET A 40 81.390 -2.095 -4.571 1.00 0.00 S ATOM 644 CE MET A 40 81.822 -1.376 -6.181 1.00 0.00 C ATOM 0 H MET A 40 77.281 -1.013 -6.240 1.00 0.00 H new ATOM 0 HA MET A 40 79.325 -3.241 -5.971 1.00 0.00 H new ATOM 0 HB2 MET A 40 77.766 -1.537 -3.938 1.00 0.00 H new ATOM 0 HB3 MET A 40 78.810 -2.877 -3.507 1.00 0.00 H new ATOM 0 HG2 MET A 40 79.745 -0.397 -5.051 1.00 0.00 H new ATOM 0 HG3 MET A 40 79.952 -0.614 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 40 81.712 -2.132 -6.958 1.00 0.00 H new ATOM 0 HE2 MET A 40 81.160 -0.537 -6.394 1.00 0.00 H new ATOM 0 HE3 MET A 40 82.854 -1.027 -6.158 1.00 0.00 H new ATOM 654 N THR A 41 77.375 -4.706 -6.483 1.00 0.00 N ATOM 655 CA THR A 41 76.301 -5.751 -6.530 1.00 0.00 C ATOM 656 C THR A 41 76.790 -7.044 -5.868 1.00 0.00 C ATOM 657 O THR A 41 76.107 -8.049 -5.860 1.00 0.00 O ATOM 658 CB THR A 41 76.019 -5.973 -8.014 1.00 0.00 C ATOM 659 OG1 THR A 41 77.145 -6.577 -8.632 1.00 0.00 O ATOM 660 CG2 THR A 41 75.733 -4.622 -8.664 1.00 0.00 C ATOM 0 H THR A 41 78.132 -4.834 -7.155 1.00 0.00 H new ATOM 0 HA THR A 41 75.404 -5.443 -5.993 1.00 0.00 H new ATOM 0 HB THR A 41 75.159 -6.631 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 41 76.959 -6.719 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.530 -4.765 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 41 74.866 -4.165 -8.187 1.00 0.00 H new ATOM 0 HG23 THR A 41 76.599 -3.970 -8.545 1.00 0.00 H new ATOM 668 N THR A 42 77.969 -7.025 -5.313 1.00 0.00 N ATOM 669 CA THR A 42 78.503 -8.251 -4.642 1.00 0.00 C ATOM 670 C THR A 42 79.060 -7.889 -3.256 1.00 0.00 C ATOM 671 O THR A 42 78.496 -8.249 -2.247 1.00 0.00 O ATOM 672 CB THR A 42 79.583 -8.796 -5.586 1.00 0.00 C ATOM 673 OG1 THR A 42 80.403 -9.730 -4.897 1.00 0.00 O ATOM 674 CG2 THR A 42 80.443 -7.659 -6.132 1.00 0.00 C ATOM 0 H THR A 42 78.589 -6.215 -5.293 1.00 0.00 H new ATOM 0 HA THR A 42 77.737 -9.007 -4.467 1.00 0.00 H new ATOM 0 HB THR A 42 79.092 -9.294 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.081 -9.249 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.203 -8.066 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 79.814 -6.959 -6.682 1.00 0.00 H new ATOM 0 HG23 THR A 42 80.927 -7.139 -5.305 1.00 0.00 H new ATOM 682 N HIS A 43 80.125 -7.139 -3.188 1.00 0.00 N ATOM 683 CA HIS A 43 80.660 -6.722 -1.871 1.00 0.00 C ATOM 684 C HIS A 43 81.301 -5.366 -2.072 1.00 0.00 C ATOM 685 O HIS A 43 81.429 -4.898 -3.186 1.00 0.00 O ATOM 686 CB HIS A 43 81.711 -7.763 -1.445 1.00 0.00 C ATOM 687 CG HIS A 43 81.288 -9.144 -1.864 1.00 0.00 C ATOM 688 ND1 HIS A 43 82.041 -9.921 -2.735 1.00 0.00 N ATOM 689 CD2 HIS A 43 80.214 -9.920 -1.510 1.00 0.00 C ATOM 690 CE1 HIS A 43 81.416 -11.108 -2.864 1.00 0.00 C ATOM 691 NE2 HIS A 43 80.296 -11.158 -2.138 1.00 0.00 N ATOM 0 H HIS A 43 80.647 -6.798 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 43 79.891 -6.658 -1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 43 82.674 -7.520 -1.894 1.00 0.00 H new ATOM 0 HB3 HIS A 43 81.846 -7.730 -0.364 1.00 0.00 H new ATOM 0 HD2 HIS A 43 79.422 -9.615 -0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 43 81.777 -11.919 -3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.642 -11.937 -2.061 1.00 0.00 H new ATOM 699 N LEU A 44 81.693 -4.719 -1.033 1.00 0.00 N ATOM 700 CA LEU A 44 82.313 -3.388 -1.220 1.00 0.00 C ATOM 701 C LEU A 44 83.750 -3.546 -1.724 1.00 0.00 C ATOM 702 O LEU A 44 84.475 -2.586 -1.873 1.00 0.00 O ATOM 703 CB LEU A 44 82.242 -2.705 0.151 1.00 0.00 C ATOM 704 CG LEU A 44 82.928 -3.560 1.215 1.00 0.00 C ATOM 705 CD1 LEU A 44 84.366 -3.095 1.404 1.00 0.00 C ATOM 706 CD2 LEU A 44 82.171 -3.409 2.533 1.00 0.00 C ATOM 0 H LEU A 44 81.616 -5.043 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 44 81.800 -2.785 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 44 82.719 -1.726 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 44 81.201 -2.538 0.427 1.00 0.00 H new ATOM 0 HG LEU A 44 82.929 -4.604 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 44 84.850 -3.709 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 44 84.906 -3.191 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 84.372 -2.052 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 44 82.652 -4.015 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 44 82.179 -2.363 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.141 -3.741 2.401 1.00 0.00 H new ATOM 718 N LYS A 45 84.176 -4.751 -1.995 1.00 0.00 N ATOM 719 CA LYS A 45 85.563 -4.928 -2.491 1.00 0.00 C ATOM 720 C LYS A 45 85.734 -4.242 -3.849 1.00 0.00 C ATOM 721 O LYS A 45 86.780 -3.719 -4.155 1.00 0.00 O ATOM 722 CB LYS A 45 85.763 -6.432 -2.624 1.00 0.00 C ATOM 723 CG LYS A 45 84.988 -6.961 -3.830 1.00 0.00 C ATOM 724 CD LYS A 45 85.220 -8.467 -3.947 1.00 0.00 C ATOM 725 CE LYS A 45 86.703 -8.771 -3.714 1.00 0.00 C ATOM 726 NZ LYS A 45 86.878 -10.181 -4.153 1.00 0.00 N ATOM 0 H LYS A 45 83.630 -5.606 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 45 86.294 -4.484 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 86.824 -6.657 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 45 85.425 -6.933 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 45 83.924 -6.751 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 45 85.316 -6.457 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.609 -8.998 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 45 84.916 -8.818 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 45 87.339 -8.097 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 45 86.972 -8.648 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.870 -10.464 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 86.265 -10.800 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 86.621 -10.266 -5.157 1.00 0.00 H new ATOM 740 N LYS A 46 84.720 -4.245 -4.673 1.00 0.00 N ATOM 741 CA LYS A 46 84.851 -3.595 -6.017 1.00 0.00 C ATOM 742 C LYS A 46 85.176 -2.106 -5.882 1.00 0.00 C ATOM 743 O LYS A 46 85.966 -1.563 -6.630 1.00 0.00 O ATOM 744 CB LYS A 46 83.507 -3.791 -6.702 1.00 0.00 C ATOM 745 CG LYS A 46 83.387 -5.230 -7.159 1.00 0.00 C ATOM 746 CD LYS A 46 82.711 -5.237 -8.519 1.00 0.00 C ATOM 747 CE LYS A 46 82.357 -6.660 -8.915 1.00 0.00 C ATOM 748 NZ LYS A 46 81.495 -6.482 -10.110 1.00 0.00 N ATOM 0 H LYS A 46 83.811 -4.665 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 46 85.666 -4.036 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.696 -3.546 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 46 83.418 -3.117 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.372 -5.693 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.806 -5.810 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 46 81.810 -4.624 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.372 -4.797 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 46 83.247 -7.246 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 46 81.831 -7.181 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 81.195 -7.413 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 80.657 -5.922 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 82.029 -5.986 -10.852 1.00 0.00 H new ATOM 762 N LEU A 47 84.573 -1.442 -4.935 1.00 0.00 N ATOM 763 CA LEU A 47 84.851 0.015 -4.732 1.00 0.00 C ATOM 764 C LEU A 47 86.293 0.212 -4.223 1.00 0.00 C ATOM 765 O LEU A 47 87.062 0.999 -4.761 1.00 0.00 O ATOM 766 CB LEU A 47 83.825 0.432 -3.661 1.00 0.00 C ATOM 767 CG LEU A 47 84.036 1.886 -3.182 1.00 0.00 C ATOM 768 CD1 LEU A 47 84.989 1.888 -1.984 1.00 0.00 C ATOM 769 CD2 LEU A 47 84.622 2.768 -4.289 1.00 0.00 C ATOM 0 H LEU A 47 83.895 -1.845 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 47 84.765 0.605 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.818 0.327 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 83.898 -0.243 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 47 83.064 2.293 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.141 2.912 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 47 84.559 1.296 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.946 1.458 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.756 3.782 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.586 2.367 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.942 2.783 -5.141 1.00 0.00 H new ATOM 781 N LYS A 48 86.676 -0.501 -3.189 1.00 0.00 N ATOM 782 CA LYS A 48 88.057 -0.336 -2.660 1.00 0.00 C ATOM 783 C LYS A 48 89.088 -1.163 -3.439 1.00 0.00 C ATOM 784 O LYS A 48 90.264 -0.875 -3.379 1.00 0.00 O ATOM 785 CB LYS A 48 88.019 -0.761 -1.197 1.00 0.00 C ATOM 786 CG LYS A 48 87.401 -2.148 -1.056 1.00 0.00 C ATOM 787 CD LYS A 48 88.321 -3.013 -0.181 1.00 0.00 C ATOM 788 CE LYS A 48 87.758 -4.436 -0.079 1.00 0.00 C ATOM 789 NZ LYS A 48 88.515 -5.103 1.019 1.00 0.00 N ATOM 0 H LYS A 48 86.096 -1.181 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 48 88.371 0.702 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.029 -0.764 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 48 87.442 -0.040 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 48 86.411 -2.076 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 48 87.273 -2.606 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 48 89.324 -3.039 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.409 -2.575 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 48 86.690 -4.418 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 48 87.882 -4.973 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 88.432 -6.135 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 89.517 -4.829 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 88.124 -4.810 1.937 1.00 0.00 H new ATOM 803 N GLU A 49 88.700 -2.179 -4.174 1.00 0.00 N ATOM 804 CA GLU A 49 89.749 -2.938 -4.921 1.00 0.00 C ATOM 805 C GLU A 49 90.346 -2.013 -5.986 1.00 0.00 C ATOM 806 O GLU A 49 91.544 -1.903 -6.133 1.00 0.00 O ATOM 807 CB GLU A 49 89.058 -4.146 -5.575 1.00 0.00 C ATOM 808 CG GLU A 49 88.151 -3.684 -6.724 1.00 0.00 C ATOM 809 CD GLU A 49 87.569 -4.900 -7.446 1.00 0.00 C ATOM 810 OE1 GLU A 49 87.767 -6.002 -6.966 1.00 0.00 O ATOM 811 OE2 GLU A 49 86.930 -4.703 -8.467 1.00 0.00 O ATOM 0 H GLU A 49 87.740 -2.505 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 49 90.551 -3.281 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 49 89.807 -4.842 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 49 88.469 -4.683 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 49 87.346 -3.060 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 88.719 -3.071 -7.424 1.00 0.00 H new ATOM 818 N SER A 50 89.520 -1.303 -6.706 1.00 0.00 N ATOM 819 CA SER A 50 90.067 -0.350 -7.717 1.00 0.00 C ATOM 820 C SER A 50 90.825 0.733 -6.978 1.00 0.00 C ATOM 821 O SER A 50 91.917 1.123 -7.342 1.00 0.00 O ATOM 822 CB SER A 50 88.848 0.272 -8.384 1.00 0.00 C ATOM 823 OG SER A 50 89.272 1.045 -9.500 1.00 0.00 O ATOM 0 H SER A 50 88.503 -1.339 -6.641 1.00 0.00 H new ATOM 0 HA SER A 50 90.728 -0.831 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 50 88.157 -0.507 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 50 88.310 0.900 -7.674 1.00 0.00 H new ATOM 0 HG SER A 50 88.491 1.447 -9.935 1.00 0.00 H new ATOM 829 N TYR A 51 90.232 1.206 -5.921 1.00 0.00 N ATOM 830 CA TYR A 51 90.866 2.261 -5.089 1.00 0.00 C ATOM 831 C TYR A 51 92.176 1.738 -4.483 1.00 0.00 C ATOM 832 O TYR A 51 93.153 2.452 -4.385 1.00 0.00 O ATOM 833 CB TYR A 51 89.818 2.517 -4.015 1.00 0.00 C ATOM 834 CG TYR A 51 90.337 3.449 -2.945 1.00 0.00 C ATOM 835 CD1 TYR A 51 90.237 4.837 -3.093 1.00 0.00 C ATOM 836 CD2 TYR A 51 90.924 2.910 -1.796 1.00 0.00 C ATOM 837 CE1 TYR A 51 90.728 5.685 -2.088 1.00 0.00 C ATOM 838 CE2 TYR A 51 91.410 3.755 -0.794 1.00 0.00 C ATOM 839 CZ TYR A 51 91.319 5.143 -0.941 1.00 0.00 C ATOM 840 OH TYR A 51 91.826 5.974 0.043 1.00 0.00 O ATOM 0 H TYR A 51 89.316 0.899 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 51 91.133 3.162 -5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 51 88.926 2.946 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 51 89.521 1.571 -3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 51 89.783 5.255 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.002 1.839 -1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.650 6.756 -2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 51 91.857 3.335 0.095 1.00 0.00 H new ATOM 0 HH TYR A 51 91.489 6.884 -0.092 1.00 0.00 H new ATOM 850 N CYS A 52 92.196 0.499 -4.051 1.00 0.00 N ATOM 851 CA CYS A 52 93.439 -0.053 -3.427 1.00 0.00 C ATOM 852 C CYS A 52 94.558 -0.267 -4.464 1.00 0.00 C ATOM 853 O CYS A 52 95.694 0.093 -4.230 1.00 0.00 O ATOM 854 CB CYS A 52 93.017 -1.385 -2.767 1.00 0.00 C ATOM 855 SG CYS A 52 92.869 -2.715 -3.979 1.00 0.00 S ATOM 0 H CYS A 52 91.410 -0.149 -4.103 1.00 0.00 H new ATOM 0 HA CYS A 52 93.854 0.642 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 52 93.749 -1.663 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 52 92.064 -1.251 -2.255 1.00 0.00 H new ATOM 0 HG CYS A 52 92.310 -2.257 -5.060 1.00 0.00 H new ATOM 861 N GLN A 53 94.266 -0.855 -5.594 1.00 0.00 N ATOM 862 CA GLN A 53 95.339 -1.094 -6.608 1.00 0.00 C ATOM 863 C GLN A 53 95.873 0.209 -7.206 1.00 0.00 C ATOM 864 O GLN A 53 97.069 0.412 -7.317 1.00 0.00 O ATOM 865 CB GLN A 53 94.674 -1.917 -7.710 1.00 0.00 C ATOM 866 CG GLN A 53 94.461 -3.345 -7.225 1.00 0.00 C ATOM 867 CD GLN A 53 93.685 -4.130 -8.285 1.00 0.00 C ATOM 868 OE1 GLN A 53 93.078 -3.553 -9.164 1.00 0.00 O ATOM 869 NE2 GLN A 53 93.687 -5.432 -8.245 1.00 0.00 N ATOM 0 H GLN A 53 93.336 -1.179 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 53 96.191 -1.595 -6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.719 -1.470 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 53 95.297 -1.915 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 53 95.422 -3.823 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.912 -3.343 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 53 94.196 -5.919 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 53 93.179 -5.965 -8.951 1.00 0.00 H new ATOM 878 N ARG A 54 94.995 1.071 -7.636 1.00 0.00 N ATOM 879 CA ARG A 54 95.447 2.339 -8.276 1.00 0.00 C ATOM 880 C ARG A 54 96.162 3.249 -7.271 1.00 0.00 C ATOM 881 O ARG A 54 96.988 4.060 -7.644 1.00 0.00 O ATOM 882 CB ARG A 54 94.162 2.991 -8.836 1.00 0.00 C ATOM 883 CG ARG A 54 93.338 3.643 -7.712 1.00 0.00 C ATOM 884 CD ARG A 54 91.911 3.991 -8.205 1.00 0.00 C ATOM 885 NE ARG A 54 92.019 5.260 -8.995 1.00 0.00 N ATOM 886 CZ ARG A 54 91.292 5.420 -10.077 1.00 0.00 C ATOM 887 NH1 ARG A 54 89.994 5.274 -10.019 1.00 0.00 N ATOM 888 NH2 ARG A 54 91.861 5.732 -11.212 1.00 0.00 N ATOM 0 H ARG A 54 93.984 0.953 -7.572 1.00 0.00 H new ATOM 0 HA ARG A 54 96.177 2.159 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 54 94.426 3.742 -9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.559 2.238 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 93.278 2.966 -6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 54 93.838 4.547 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 54 91.508 3.186 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 54 91.232 4.118 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 54 92.656 5.998 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.547 5.036 -9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.429 5.398 -10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 54 92.873 5.852 -11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 54 91.293 5.855 -12.050 1.00 0.00 H new ATOM 902 N GLN A 55 95.866 3.132 -6.008 1.00 0.00 N ATOM 903 CA GLN A 55 96.541 4.010 -5.010 1.00 0.00 C ATOM 904 C GLN A 55 97.526 3.209 -4.159 1.00 0.00 C ATOM 905 O GLN A 55 98.707 3.495 -4.102 1.00 0.00 O ATOM 906 CB GLN A 55 95.390 4.512 -4.152 1.00 0.00 C ATOM 907 CG GLN A 55 94.456 5.344 -5.025 1.00 0.00 C ATOM 908 CD GLN A 55 93.542 6.172 -4.139 1.00 0.00 C ATOM 909 OE1 GLN A 55 93.984 6.764 -3.176 1.00 0.00 O ATOM 910 NE2 GLN A 55 92.276 6.244 -4.438 1.00 0.00 N ATOM 0 H GLN A 55 95.191 2.471 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 55 97.119 4.811 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.850 3.672 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 55 95.769 5.112 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.036 5.996 -5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 55 93.865 4.692 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 55 91.914 5.743 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 55 91.647 6.802 -3.861 1.00 0.00 H new ATOM 919 N GLY A 56 97.033 2.215 -3.491 1.00 0.00 N ATOM 920 CA GLY A 56 97.892 1.373 -2.618 1.00 0.00 C ATOM 921 C GLY A 56 96.985 0.378 -1.901 1.00 0.00 C ATOM 922 O GLY A 56 96.024 0.755 -1.255 1.00 0.00 O ATOM 0 H GLY A 56 96.050 1.942 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 56 98.643 0.849 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 56 98.428 1.991 -1.897 1.00 0.00 H new ATOM 926 N VAL A 57 97.251 -0.890 -2.054 1.00 0.00 N ATOM 927 CA VAL A 57 96.368 -1.925 -1.426 1.00 0.00 C ATOM 928 C VAL A 57 96.596 -2.082 0.097 1.00 0.00 C ATOM 929 O VAL A 57 97.715 -2.041 0.570 1.00 0.00 O ATOM 930 CB VAL A 57 96.668 -3.236 -2.165 1.00 0.00 C ATOM 931 CG1 VAL A 57 96.115 -3.179 -3.583 1.00 0.00 C ATOM 932 CG2 VAL A 57 98.174 -3.468 -2.241 1.00 0.00 C ATOM 0 H VAL A 57 98.040 -1.258 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 57 95.323 -1.628 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 57 96.196 -4.050 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 57 96.334 -4.115 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 57 95.036 -3.029 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 57 96.578 -2.352 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 57 98.372 -4.401 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 57 98.643 -2.642 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 57 98.585 -3.526 -1.233 1.00 0.00 H new ATOM 942 N PRO A 58 95.495 -2.265 0.813 1.00 0.00 N ATOM 943 CA PRO A 58 95.528 -2.432 2.291 1.00 0.00 C ATOM 944 C PRO A 58 96.336 -3.660 2.663 1.00 0.00 C ATOM 945 O PRO A 58 96.769 -3.825 3.788 1.00 0.00 O ATOM 946 CB PRO A 58 94.051 -2.609 2.648 1.00 0.00 C ATOM 947 CG PRO A 58 93.219 -2.506 1.361 1.00 0.00 C ATOM 948 CD PRO A 58 94.163 -2.345 0.172 1.00 0.00 C ATOM 0 HA PRO A 58 95.994 -1.599 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 58 93.891 -3.576 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 58 93.740 -1.846 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 58 92.605 -3.398 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 58 92.538 -1.657 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 58 94.095 -3.189 -0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 58 93.938 -1.447 -0.404 1.00 0.00 H new ATOM 956 N MET A 59 96.541 -4.517 1.715 1.00 0.00 N ATOM 957 CA MET A 59 97.316 -5.750 1.971 1.00 0.00 C ATOM 958 C MET A 59 98.691 -5.406 2.556 1.00 0.00 C ATOM 959 O MET A 59 99.277 -6.203 3.264 1.00 0.00 O ATOM 960 CB MET A 59 97.460 -6.389 0.587 1.00 0.00 C ATOM 961 CG MET A 59 96.077 -6.825 0.084 1.00 0.00 C ATOM 962 SD MET A 59 96.095 -6.990 -1.721 1.00 0.00 S ATOM 963 CE MET A 59 94.299 -6.968 -1.980 1.00 0.00 C ATOM 0 H MET A 59 96.200 -4.414 0.759 1.00 0.00 H new ATOM 0 HA MET A 59 96.834 -6.412 2.690 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.906 -5.679 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 59 98.129 -7.248 0.638 1.00 0.00 H new ATOM 0 HG2 MET A 59 95.798 -7.774 0.541 1.00 0.00 H new ATOM 0 HG3 MET A 59 95.326 -6.094 0.383 1.00 0.00 H new ATOM 0 HE1 MET A 59 94.084 -7.060 -3.045 1.00 0.00 H new ATOM 0 HE2 MET A 59 93.844 -7.801 -1.445 1.00 0.00 H new ATOM 0 HE3 MET A 59 93.889 -6.030 -1.606 1.00 0.00 H new ATOM 973 N ASN A 60 99.233 -4.248 2.259 1.00 0.00 N ATOM 974 CA ASN A 60 100.584 -3.935 2.807 1.00 0.00 C ATOM 975 C ASN A 60 100.581 -2.752 3.796 1.00 0.00 C ATOM 976 O ASN A 60 101.381 -2.727 4.709 1.00 0.00 O ATOM 977 CB ASN A 60 101.450 -3.635 1.577 1.00 0.00 C ATOM 978 CG ASN A 60 101.323 -2.166 1.164 1.00 0.00 C ATOM 979 OD1 ASN A 60 102.070 -1.327 1.627 1.00 0.00 O ATOM 980 ND2 ASN A 60 100.420 -1.812 0.294 1.00 0.00 N ATOM 0 H ASN A 60 98.809 -3.526 1.676 1.00 0.00 H new ATOM 0 HA ASN A 60 100.965 -4.771 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 102.492 -3.866 1.796 1.00 0.00 H new ATOM 0 HB3 ASN A 60 101.148 -4.277 0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 60 100.344 -0.836 0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 60 99.789 -2.510 -0.099 1.00 0.00 H new ATOM 987 N SER A 61 99.739 -1.753 3.632 1.00 0.00 N ATOM 988 CA SER A 61 99.811 -0.606 4.606 1.00 0.00 C ATOM 989 C SER A 61 98.471 0.099 4.887 1.00 0.00 C ATOM 990 O SER A 61 98.429 1.034 5.665 1.00 0.00 O ATOM 991 CB SER A 61 100.761 0.384 3.937 1.00 0.00 C ATOM 992 OG SER A 61 100.308 0.667 2.621 1.00 0.00 O ATOM 0 H SER A 61 99.033 -1.679 2.900 1.00 0.00 H new ATOM 0 HA SER A 61 100.130 -0.978 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 61 100.813 1.304 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 61 101.769 -0.030 3.904 1.00 0.00 H new ATOM 0 HG SER A 61 100.871 0.194 1.973 1.00 0.00 H new ATOM 998 N LEU A 62 97.392 -0.286 4.266 1.00 0.00 N ATOM 999 CA LEU A 62 96.105 0.454 4.525 1.00 0.00 C ATOM 1000 C LEU A 62 95.032 -0.435 5.180 1.00 0.00 C ATOM 1001 O LEU A 62 95.020 -1.642 5.038 1.00 0.00 O ATOM 1002 CB LEU A 62 95.620 0.932 3.145 1.00 0.00 C ATOM 1003 CG LEU A 62 96.550 2.014 2.577 1.00 0.00 C ATOM 1004 CD1 LEU A 62 97.794 1.363 1.975 1.00 0.00 C ATOM 1005 CD2 LEU A 62 95.814 2.796 1.483 1.00 0.00 C ATOM 0 H LEU A 62 97.334 -1.060 3.604 1.00 0.00 H new ATOM 0 HA LEU A 62 96.276 1.275 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.578 0.087 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 94.607 1.326 3.228 1.00 0.00 H new ATOM 0 HG LEU A 62 96.845 2.689 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 98.450 2.135 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 62 98.322 0.804 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 62 97.499 0.685 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 62 96.473 3.564 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.519 2.115 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.926 3.266 1.906 1.00 0.00 H new ATOM 1017 N ARG A 63 94.120 0.178 5.900 1.00 0.00 N ATOM 1018 CA ARG A 63 93.026 -0.593 6.575 1.00 0.00 C ATOM 1019 C ARG A 63 91.668 0.059 6.253 1.00 0.00 C ATOM 1020 O ARG A 63 91.585 1.256 6.148 1.00 0.00 O ATOM 1021 CB ARG A 63 93.362 -0.480 8.071 1.00 0.00 C ATOM 1022 CG ARG A 63 92.508 -1.458 8.875 1.00 0.00 C ATOM 1023 CD ARG A 63 92.989 -1.503 10.335 1.00 0.00 C ATOM 1024 NE ARG A 63 92.238 -0.422 11.034 1.00 0.00 N ATOM 1025 CZ ARG A 63 92.266 -0.339 12.340 1.00 0.00 C ATOM 1026 NH1 ARG A 63 93.169 -0.982 13.033 1.00 0.00 N ATOM 1027 NH2 ARG A 63 91.383 0.390 12.958 1.00 0.00 N ATOM 0 H ARG A 63 94.087 1.186 6.050 1.00 0.00 H new ATOM 0 HA ARG A 63 92.957 -1.632 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 63 94.419 -0.691 8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 63 93.185 0.539 8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 63 91.462 -1.155 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 63 92.567 -2.453 8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 92.788 -2.475 10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 63 94.065 -1.339 10.399 1.00 0.00 H new ATOM 0 HE ARG A 63 91.700 0.255 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 93.863 -1.557 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 63 93.179 -0.908 14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 63 90.674 0.893 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 63 91.400 0.458 13.976 1.00 0.00 H new ATOM 1041 N PHE A 64 90.604 -0.699 6.066 1.00 0.00 N ATOM 1042 CA PHE A 64 89.302 -0.034 5.721 1.00 0.00 C ATOM 1043 C PHE A 64 88.300 -0.003 6.869 1.00 0.00 C ATOM 1044 O PHE A 64 87.935 -1.016 7.447 1.00 0.00 O ATOM 1045 CB PHE A 64 88.664 -0.834 4.591 1.00 0.00 C ATOM 1046 CG PHE A 64 89.290 -0.506 3.256 1.00 0.00 C ATOM 1047 CD1 PHE A 64 89.281 0.814 2.786 1.00 0.00 C ATOM 1048 CD2 PHE A 64 89.839 -1.525 2.475 1.00 0.00 C ATOM 1049 CE1 PHE A 64 89.833 1.116 1.536 1.00 0.00 C ATOM 1050 CE2 PHE A 64 90.393 -1.223 1.224 1.00 0.00 C ATOM 1051 CZ PHE A 64 90.387 0.099 0.754 1.00 0.00 C ATOM 0 H PHE A 64 90.581 -1.716 6.135 1.00 0.00 H new ATOM 0 HA PHE A 64 89.530 0.999 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 64 88.772 -1.900 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 64 87.595 -0.624 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 64 88.848 1.599 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 64 89.837 -2.543 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 64 89.831 2.134 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 64 90.825 -2.008 0.621 1.00 0.00 H new ATOM 0 HZ PHE A 64 90.811 0.331 -0.212 1.00 0.00 H new ATOM 1061 N LEU A 65 87.789 1.162 7.122 1.00 0.00 N ATOM 1062 CA LEU A 65 86.735 1.325 8.148 1.00 0.00 C ATOM 1063 C LEU A 65 85.443 1.641 7.417 1.00 0.00 C ATOM 1064 O LEU A 65 85.425 2.444 6.504 1.00 0.00 O ATOM 1065 CB LEU A 65 87.181 2.500 9.006 1.00 0.00 C ATOM 1066 CG LEU A 65 86.214 2.655 10.183 1.00 0.00 C ATOM 1067 CD1 LEU A 65 86.123 1.326 10.926 1.00 0.00 C ATOM 1068 CD2 LEU A 65 86.721 3.739 11.136 1.00 0.00 C ATOM 0 H LEU A 65 88.063 2.024 6.651 1.00 0.00 H new ATOM 0 HA LEU A 65 86.579 0.442 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 65 88.195 2.336 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 65 87.200 3.414 8.412 1.00 0.00 H new ATOM 0 HG LEU A 65 85.230 2.942 9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 65 85.436 1.425 11.767 1.00 0.00 H new ATOM 0 HD12 LEU A 65 85.757 0.555 10.248 1.00 0.00 H new ATOM 0 HD13 LEU A 65 87.110 1.047 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 65 86.028 3.843 11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 65 87.705 3.460 11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 65 86.793 4.687 10.603 1.00 0.00 H new ATOM 1080 N PHE A 66 84.374 0.994 7.755 1.00 0.00 N ATOM 1081 CA PHE A 66 83.131 1.268 6.992 1.00 0.00 C ATOM 1082 C PHE A 66 81.989 1.759 7.887 1.00 0.00 C ATOM 1083 O PHE A 66 81.719 2.938 7.953 1.00 0.00 O ATOM 1084 CB PHE A 66 82.813 -0.066 6.341 1.00 0.00 C ATOM 1085 CG PHE A 66 82.195 0.184 5.000 1.00 0.00 C ATOM 1086 CD1 PHE A 66 83.020 0.374 3.888 1.00 0.00 C ATOM 1087 CD2 PHE A 66 80.807 0.226 4.863 1.00 0.00 C ATOM 1088 CE1 PHE A 66 82.457 0.605 2.632 1.00 0.00 C ATOM 1089 CE2 PHE A 66 80.240 0.455 3.606 1.00 0.00 C ATOM 1090 CZ PHE A 66 81.066 0.645 2.491 1.00 0.00 C ATOM 0 H PHE A 66 84.302 0.306 8.504 1.00 0.00 H new ATOM 0 HA PHE A 66 83.258 2.072 6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.721 -0.659 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.131 -0.639 6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.094 0.342 4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 66 80.173 0.082 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.093 0.752 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 66 79.166 0.485 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 66 80.628 0.823 1.520 1.00 0.00 H new ATOM 1100 N GLU A 67 81.305 0.885 8.570 1.00 0.00 N ATOM 1101 CA GLU A 67 80.191 1.350 9.434 1.00 0.00 C ATOM 1102 C GLU A 67 80.757 2.038 10.672 1.00 0.00 C ATOM 1103 O GLU A 67 80.064 2.735 11.390 1.00 0.00 O ATOM 1104 CB GLU A 67 79.441 0.086 9.827 1.00 0.00 C ATOM 1105 CG GLU A 67 80.392 -0.846 10.568 1.00 0.00 C ATOM 1106 CD GLU A 67 79.591 -1.659 11.583 1.00 0.00 C ATOM 1107 OE1 GLU A 67 79.423 -1.178 12.692 1.00 0.00 O ATOM 1108 OE2 GLU A 67 79.142 -2.736 11.230 1.00 0.00 O ATOM 0 H GLU A 67 81.468 -0.122 8.567 1.00 0.00 H new ATOM 0 HA GLU A 67 79.542 2.066 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 67 78.589 0.335 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 67 79.045 -0.408 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 67 80.895 -1.510 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 81.168 -0.270 11.073 1.00 0.00 H new ATOM 1115 N GLY A 68 82.018 1.824 10.924 1.00 0.00 N ATOM 1116 CA GLY A 68 82.677 2.427 12.112 1.00 0.00 C ATOM 1117 C GLY A 68 83.755 1.464 12.611 1.00 0.00 C ATOM 1118 O GLY A 68 84.649 1.837 13.345 1.00 0.00 O ATOM 0 H GLY A 68 82.629 1.247 10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 68 83.119 3.389 11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 68 81.944 2.615 12.897 1.00 0.00 H new ATOM 1122 N GLN A 69 83.672 0.218 12.228 1.00 0.00 N ATOM 1123 CA GLN A 69 84.685 -0.769 12.684 1.00 0.00 C ATOM 1124 C GLN A 69 85.409 -1.326 11.469 1.00 0.00 C ATOM 1125 O GLN A 69 84.978 -1.125 10.340 1.00 0.00 O ATOM 1126 CB GLN A 69 83.900 -1.903 13.357 1.00 0.00 C ATOM 1127 CG GLN A 69 83.016 -2.603 12.329 1.00 0.00 C ATOM 1128 CD GLN A 69 81.938 -3.415 13.045 1.00 0.00 C ATOM 1129 OE1 GLN A 69 81.840 -3.396 14.257 1.00 0.00 O ATOM 1130 NE2 GLN A 69 81.118 -4.132 12.332 1.00 0.00 N ATOM 0 H GLN A 69 82.945 -0.156 11.619 1.00 0.00 H new ATOM 0 HA GLN A 69 85.412 -0.321 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 69 84.590 -2.619 13.804 1.00 0.00 H new ATOM 0 HB3 GLN A 69 83.287 -1.503 14.165 1.00 0.00 H new ATOM 0 HG2 GLN A 69 82.554 -1.867 11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 69 83.620 -3.257 11.701 1.00 0.00 H new ATOM 0 HE21 GLN A 69 81.204 -4.145 11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 69 80.390 -4.681 12.790 1.00 0.00 H new ATOM 1139 N ARG A 70 86.471 -2.057 11.673 1.00 0.00 N ATOM 1140 CA ARG A 70 87.163 -2.661 10.505 1.00 0.00 C ATOM 1141 C ARG A 70 86.165 -3.602 9.839 1.00 0.00 C ATOM 1142 O ARG A 70 85.554 -4.423 10.492 1.00 0.00 O ATOM 1143 CB ARG A 70 88.351 -3.448 11.076 1.00 0.00 C ATOM 1144 CG ARG A 70 89.145 -4.065 9.920 1.00 0.00 C ATOM 1145 CD ARG A 70 90.600 -3.596 9.970 1.00 0.00 C ATOM 1146 NE ARG A 70 91.363 -4.767 10.488 1.00 0.00 N ATOM 1147 CZ ARG A 70 91.842 -5.666 9.664 1.00 0.00 C ATOM 1148 NH1 ARG A 70 92.621 -5.310 8.675 1.00 0.00 N ATOM 1149 NH2 ARG A 70 91.539 -6.924 9.833 1.00 0.00 N ATOM 0 H ARG A 70 86.883 -2.259 12.584 1.00 0.00 H new ATOM 0 HA ARG A 70 87.513 -1.930 9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 70 88.991 -2.789 11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 70 87.996 -4.229 11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 70 89.103 -5.153 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 70 88.696 -3.781 8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 70 90.954 -3.300 8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 70 90.714 -2.730 10.622 1.00 0.00 H new ATOM 0 HE ARG A 70 91.513 -4.869 11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 70 92.859 -4.327 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 70 92.990 -6.015 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 70 90.932 -7.203 10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 70 91.909 -7.628 9.194 1.00 0.00 H new ATOM 1163 N ILE A 71 85.944 -3.465 8.569 1.00 0.00 N ATOM 1164 CA ILE A 71 84.926 -4.337 7.918 1.00 0.00 C ATOM 1165 C ILE A 71 85.533 -5.340 6.937 1.00 0.00 C ATOM 1166 O ILE A 71 86.719 -5.355 6.680 1.00 0.00 O ATOM 1167 CB ILE A 71 84.037 -3.365 7.160 1.00 0.00 C ATOM 1168 CG1 ILE A 71 84.880 -2.659 6.090 1.00 0.00 C ATOM 1169 CG2 ILE A 71 83.468 -2.346 8.147 1.00 0.00 C ATOM 1170 CD1 ILE A 71 84.040 -2.439 4.833 1.00 0.00 C ATOM 0 H ILE A 71 86.414 -2.799 7.956 1.00 0.00 H new ATOM 0 HA ILE A 71 84.403 -4.938 8.662 1.00 0.00 H new ATOM 0 HB ILE A 71 83.214 -3.891 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 71 85.240 -1.703 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 71 85.758 -3.259 5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 71 82.828 -1.642 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 71 82.884 -2.864 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 71 84.286 -1.804 8.623 1.00 0.00 H new ATOM 0 HD11 ILE A 71 84.643 -1.937 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 71 83.702 -3.401 4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 71 83.176 -1.821 5.077 1.00 0.00 H new ATOM 1182 N ALA A 72 84.678 -6.154 6.377 1.00 0.00 N ATOM 1183 CA ALA A 72 85.099 -7.167 5.369 1.00 0.00 C ATOM 1184 C ALA A 72 84.388 -6.821 4.061 1.00 0.00 C ATOM 1185 O ALA A 72 83.376 -6.157 4.071 1.00 0.00 O ATOM 1186 CB ALA A 72 84.623 -8.524 5.904 1.00 0.00 C ATOM 0 H ALA A 72 83.679 -6.157 6.583 1.00 0.00 H new ATOM 0 HA ALA A 72 86.175 -7.189 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 72 84.905 -9.310 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 72 85.087 -8.717 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 72 83.539 -8.510 6.018 1.00 0.00 H new ATOM 1192 N ASP A 73 84.895 -7.225 2.942 1.00 0.00 N ATOM 1193 CA ASP A 73 84.218 -6.866 1.677 1.00 0.00 C ATOM 1194 C ASP A 73 83.534 -8.085 1.066 1.00 0.00 C ATOM 1195 O ASP A 73 83.781 -8.454 -0.067 1.00 0.00 O ATOM 1196 CB ASP A 73 85.340 -6.341 0.798 1.00 0.00 C ATOM 1197 CG ASP A 73 86.361 -7.453 0.582 1.00 0.00 C ATOM 1198 OD1 ASP A 73 86.060 -8.579 0.936 1.00 0.00 O ATOM 1199 OD2 ASP A 73 87.429 -7.158 0.077 1.00 0.00 O ATOM 0 H ASP A 73 85.743 -7.784 2.846 1.00 0.00 H new ATOM 0 HA ASP A 73 83.426 -6.129 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.942 -6.004 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.815 -5.479 1.268 1.00 0.00 H new ATOM 1204 N ASN A 74 82.661 -8.708 1.809 1.00 0.00 N ATOM 1205 CA ASN A 74 81.939 -9.892 1.267 1.00 0.00 C ATOM 1206 C ASN A 74 80.447 -9.857 1.626 1.00 0.00 C ATOM 1207 O ASN A 74 79.816 -10.887 1.747 1.00 0.00 O ATOM 1208 CB ASN A 74 82.605 -11.109 1.892 1.00 0.00 C ATOM 1209 CG ASN A 74 82.446 -11.084 3.413 1.00 0.00 C ATOM 1210 OD1 ASN A 74 81.537 -10.474 3.943 1.00 0.00 O ATOM 1211 ND2 ASN A 74 83.305 -11.739 4.142 1.00 0.00 N ATOM 0 H ASN A 74 82.417 -8.449 2.765 1.00 0.00 H new ATOM 0 HA ASN A 74 81.992 -9.912 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 74 82.163 -12.020 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 74 83.663 -11.126 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 74 83.215 -11.740 5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 74 84.067 -12.250 3.697 1.00 0.00 H new ATOM 1218 N HIS A 75 79.872 -8.695 1.809 1.00 0.00 N ATOM 1219 CA HIS A 75 78.420 -8.643 2.153 1.00 0.00 C ATOM 1220 C HIS A 75 77.735 -7.453 1.478 1.00 0.00 C ATOM 1221 O HIS A 75 78.237 -6.348 1.494 1.00 0.00 O ATOM 1222 CB HIS A 75 78.373 -8.508 3.680 1.00 0.00 C ATOM 1223 CG HIS A 75 79.368 -7.484 4.162 1.00 0.00 C ATOM 1224 ND1 HIS A 75 79.006 -6.172 4.421 1.00 0.00 N ATOM 1225 CD2 HIS A 75 80.705 -7.571 4.467 1.00 0.00 C ATOM 1226 CE1 HIS A 75 80.103 -5.528 4.861 1.00 0.00 C ATOM 1227 NE2 HIS A 75 81.165 -6.334 4.911 1.00 0.00 N ATOM 0 H HIS A 75 80.339 -7.791 1.736 1.00 0.00 H new ATOM 0 HA HIS A 75 77.892 -9.531 1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 75 77.369 -8.220 3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 75 78.586 -9.473 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 75 81.307 -8.463 4.376 1.00 0.00 H new ATOM 0 HE1 HIS A 75 80.121 -4.485 5.140 1.00 0.00 H new ATOM 0 HE2 HIS A 75 82.111 -6.095 5.210 1.00 0.00 H new ATOM 1235 N THR A 76 76.586 -7.668 0.890 1.00 0.00 N ATOM 1236 CA THR A 76 75.873 -6.535 0.224 1.00 0.00 C ATOM 1237 C THR A 76 74.711 -5.968 1.097 1.00 0.00 C ATOM 1238 O THR A 76 74.672 -4.784 1.359 1.00 0.00 O ATOM 1239 CB THR A 76 75.359 -7.100 -1.110 1.00 0.00 C ATOM 1240 OG1 THR A 76 76.435 -7.153 -2.032 1.00 0.00 O ATOM 1241 CG2 THR A 76 74.252 -6.200 -1.662 1.00 0.00 C ATOM 0 H THR A 76 76.113 -8.571 0.842 1.00 0.00 H new ATOM 0 HA THR A 76 76.542 -5.688 0.072 1.00 0.00 H new ATOM 0 HB THR A 76 74.956 -8.101 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 76 77.049 -7.873 -1.778 1.00 0.00 H new ATOM 0 HG21 THR A 76 73.891 -6.605 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 76 73.429 -6.156 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.646 -5.197 -1.824 1.00 0.00 H new ATOM 1249 N PRO A 77 73.784 -6.809 1.520 1.00 0.00 N ATOM 1250 CA PRO A 77 72.636 -6.326 2.343 1.00 0.00 C ATOM 1251 C PRO A 77 73.069 -5.820 3.729 1.00 0.00 C ATOM 1252 O PRO A 77 72.459 -4.926 4.287 1.00 0.00 O ATOM 1253 CB PRO A 77 71.778 -7.581 2.499 1.00 0.00 C ATOM 1254 CG PRO A 77 72.478 -8.749 1.785 1.00 0.00 C ATOM 1255 CD PRO A 77 73.807 -8.254 1.201 1.00 0.00 C ATOM 0 HA PRO A 77 72.130 -5.482 1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.637 -7.813 3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 77 70.788 -7.417 2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 77 72.655 -9.566 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 77 71.841 -9.141 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.661 -8.756 1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.868 -8.431 0.127 1.00 0.00 H new ATOM 1263 N LYS A 78 74.089 -6.397 4.300 1.00 0.00 N ATOM 1264 CA LYS A 78 74.524 -5.955 5.655 1.00 0.00 C ATOM 1265 C LYS A 78 74.777 -4.446 5.684 1.00 0.00 C ATOM 1266 O LYS A 78 73.967 -3.686 6.173 1.00 0.00 O ATOM 1267 CB LYS A 78 75.826 -6.701 5.923 1.00 0.00 C ATOM 1268 CG LYS A 78 76.281 -6.354 7.338 1.00 0.00 C ATOM 1269 CD LYS A 78 77.613 -7.036 7.661 1.00 0.00 C ATOM 1270 CE LYS A 78 78.500 -6.071 8.464 1.00 0.00 C ATOM 1271 NZ LYS A 78 79.807 -6.776 8.630 1.00 0.00 N ATOM 0 H LYS A 78 74.638 -7.152 3.890 1.00 0.00 H new ATOM 0 HA LYS A 78 73.761 -6.165 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 78 75.678 -7.776 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 78 76.586 -6.415 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 78 76.387 -5.274 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 78 75.523 -6.667 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 78 77.438 -7.947 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 78 78.117 -7.329 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 78 78.628 -5.125 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 78 78.053 -5.839 9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 80.460 -6.173 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 79.657 -7.669 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 80.214 -6.977 7.694 1.00 0.00 H new ATOM 1285 N GLU A 79 75.908 -4.005 5.190 1.00 0.00 N ATOM 1286 CA GLU A 79 76.210 -2.538 5.220 1.00 0.00 C ATOM 1287 C GLU A 79 76.336 -1.966 3.816 1.00 0.00 C ATOM 1288 O GLU A 79 76.601 -0.797 3.627 1.00 0.00 O ATOM 1289 CB GLU A 79 77.542 -2.411 5.956 1.00 0.00 C ATOM 1290 CG GLU A 79 77.351 -2.844 7.413 1.00 0.00 C ATOM 1291 CD GLU A 79 76.836 -1.681 8.259 1.00 0.00 C ATOM 1292 OE1 GLU A 79 77.025 -0.545 7.855 1.00 0.00 O ATOM 1293 OE2 GLU A 79 76.260 -1.949 9.300 1.00 0.00 O ATOM 0 H GLU A 79 76.630 -4.591 4.771 1.00 0.00 H new ATOM 0 HA GLU A 79 75.409 -1.985 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.298 -3.031 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.899 -1.382 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.647 -3.675 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 79 78.297 -3.204 7.818 1.00 0.00 H new ATOM 1300 N LEU A 80 76.150 -2.775 2.829 1.00 0.00 N ATOM 1301 CA LEU A 80 76.256 -2.275 1.442 1.00 0.00 C ATOM 1302 C LEU A 80 74.861 -2.010 0.891 1.00 0.00 C ATOM 1303 O LEU A 80 74.675 -1.801 -0.291 1.00 0.00 O ATOM 1304 CB LEU A 80 76.961 -3.391 0.686 1.00 0.00 C ATOM 1305 CG LEU A 80 78.431 -3.427 1.074 1.00 0.00 C ATOM 1306 CD1 LEU A 80 78.568 -3.955 2.505 1.00 0.00 C ATOM 1307 CD2 LEU A 80 79.178 -4.348 0.106 1.00 0.00 C ATOM 0 H LEU A 80 75.928 -3.766 2.920 1.00 0.00 H new ATOM 0 HA LEU A 80 76.804 -1.336 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.492 -4.349 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 80 76.863 -3.234 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 80 78.854 -2.424 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 80 79.621 -3.981 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 80 78.028 -3.299 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.152 -4.961 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 80 80.234 -4.380 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 80 78.758 -5.352 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 80 79.075 -3.968 -0.910 1.00 0.00 H new ATOM 1319 N GLY A 81 73.875 -2.007 1.743 1.00 0.00 N ATOM 1320 CA GLY A 81 72.491 -1.747 1.272 1.00 0.00 C ATOM 1321 C GLY A 81 72.308 -0.251 0.990 1.00 0.00 C ATOM 1322 O GLY A 81 71.214 0.205 0.725 1.00 0.00 O ATOM 0 H GLY A 81 73.970 -2.174 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 81 72.291 -2.323 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 81 71.774 -2.074 2.025 1.00 0.00 H new ATOM 1326 N MET A 82 73.365 0.518 1.029 1.00 0.00 N ATOM 1327 CA MET A 82 73.227 1.973 0.742 1.00 0.00 C ATOM 1328 C MET A 82 72.955 2.157 -0.750 1.00 0.00 C ATOM 1329 O MET A 82 73.364 1.355 -1.567 1.00 0.00 O ATOM 1330 CB MET A 82 74.569 2.599 1.129 1.00 0.00 C ATOM 1331 CG MET A 82 74.818 2.443 2.636 1.00 0.00 C ATOM 1332 SD MET A 82 73.360 2.965 3.572 1.00 0.00 S ATOM 1333 CE MET A 82 73.277 4.656 2.942 1.00 0.00 C ATOM 0 H MET A 82 74.311 0.203 1.246 1.00 0.00 H new ATOM 0 HA MET A 82 72.408 2.436 1.292 1.00 0.00 H new ATOM 0 HB2 MET A 82 75.374 2.123 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 82 74.576 3.655 0.860 1.00 0.00 H new ATOM 0 HG2 MET A 82 75.054 1.404 2.867 1.00 0.00 H new ATOM 0 HG3 MET A 82 75.681 3.039 2.932 1.00 0.00 H new ATOM 0 HE1 MET A 82 72.465 5.189 3.436 1.00 0.00 H new ATOM 0 HE2 MET A 82 74.220 5.165 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 82 73.097 4.635 1.867 1.00 0.00 H new ATOM 1343 N GLU A 83 72.256 3.192 -1.111 1.00 0.00 N ATOM 1344 CA GLU A 83 71.948 3.411 -2.547 1.00 0.00 C ATOM 1345 C GLU A 83 72.822 4.530 -3.113 1.00 0.00 C ATOM 1346 O GLU A 83 73.305 4.443 -4.226 1.00 0.00 O ATOM 1347 CB GLU A 83 70.466 3.795 -2.586 1.00 0.00 C ATOM 1348 CG GLU A 83 70.264 5.183 -1.976 1.00 0.00 C ATOM 1349 CD GLU A 83 68.767 5.435 -1.777 1.00 0.00 C ATOM 1350 OE1 GLU A 83 67.982 4.715 -2.375 1.00 0.00 O ATOM 1351 OE2 GLU A 83 68.430 6.343 -1.035 1.00 0.00 O ATOM 0 H GLU A 83 71.884 3.896 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 83 72.148 2.527 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.108 3.786 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.878 3.059 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 83 70.786 5.253 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 83 70.689 5.945 -2.629 1.00 0.00 H new ATOM 1358 N GLU A 84 73.019 5.591 -2.376 1.00 0.00 N ATOM 1359 CA GLU A 84 73.855 6.706 -2.912 1.00 0.00 C ATOM 1360 C GLU A 84 74.688 7.394 -1.823 1.00 0.00 C ATOM 1361 O GLU A 84 75.197 8.474 -2.027 1.00 0.00 O ATOM 1362 CB GLU A 84 72.841 7.663 -3.528 1.00 0.00 C ATOM 1363 CG GLU A 84 72.301 7.016 -4.803 1.00 0.00 C ATOM 1364 CD GLU A 84 71.514 8.040 -5.622 1.00 0.00 C ATOM 1365 OE1 GLU A 84 71.586 9.212 -5.301 1.00 0.00 O ATOM 1366 OE2 GLU A 84 70.856 7.632 -6.563 1.00 0.00 O ATOM 0 H GLU A 84 72.643 5.734 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 84 74.593 6.350 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 84 72.030 7.862 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 84 73.309 8.621 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 84 73.126 6.621 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.659 6.173 -4.548 1.00 0.00 H new ATOM 1373 N GLU A 85 74.848 6.781 -0.678 1.00 0.00 N ATOM 1374 CA GLU A 85 75.656 7.425 0.400 1.00 0.00 C ATOM 1375 C GLU A 85 76.499 6.394 1.138 1.00 0.00 C ATOM 1376 O GLU A 85 75.993 5.508 1.790 1.00 0.00 O ATOM 1377 CB GLU A 85 74.623 8.033 1.342 1.00 0.00 C ATOM 1378 CG GLU A 85 73.865 9.118 0.594 1.00 0.00 C ATOM 1379 CD GLU A 85 74.858 10.184 0.148 1.00 0.00 C ATOM 1380 OE1 GLU A 85 75.973 10.168 0.645 1.00 0.00 O ATOM 1381 OE2 GLU A 85 74.495 10.993 -0.686 1.00 0.00 O ATOM 0 H GLU A 85 74.457 5.868 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 85 76.350 8.166 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.935 7.265 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 85 75.113 8.451 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 85 73.351 8.694 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 85 73.101 9.557 1.236 1.00 0.00 H new ATOM 1388 N ASP A 86 77.781 6.500 1.049 1.00 0.00 N ATOM 1389 CA ASP A 86 78.629 5.521 1.755 1.00 0.00 C ATOM 1390 C ASP A 86 79.858 6.238 2.317 1.00 0.00 C ATOM 1391 O ASP A 86 80.320 7.215 1.762 1.00 0.00 O ATOM 1392 CB ASP A 86 78.973 4.504 0.676 1.00 0.00 C ATOM 1393 CG ASP A 86 79.505 3.238 1.320 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.848 3.287 2.490 1.00 0.00 O ATOM 1395 OD2 ASP A 86 79.538 2.236 0.634 1.00 0.00 O ATOM 0 H ASP A 86 78.279 7.217 0.522 1.00 0.00 H new ATOM 0 HA ASP A 86 78.156 5.037 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 86 78.088 4.277 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 86 79.717 4.918 -0.004 1.00 0.00 H new ATOM 1400 N VAL A 87 80.364 5.798 3.437 1.00 0.00 N ATOM 1401 CA VAL A 87 81.533 6.502 4.047 1.00 0.00 C ATOM 1402 C VAL A 87 82.587 5.519 4.583 1.00 0.00 C ATOM 1403 O VAL A 87 82.284 4.648 5.375 1.00 0.00 O ATOM 1404 CB VAL A 87 80.916 7.280 5.204 1.00 0.00 C ATOM 1405 CG1 VAL A 87 80.438 6.308 6.289 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.965 8.204 5.804 1.00 0.00 C ATOM 0 H VAL A 87 80.023 4.988 3.954 1.00 0.00 H new ATOM 0 HA VAL A 87 82.054 7.125 3.320 1.00 0.00 H new ATOM 0 HB VAL A 87 80.071 7.860 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 87 79.998 6.870 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 87 79.691 5.634 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 87 81.285 5.728 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 87 81.528 8.762 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.805 7.613 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 87 82.315 8.900 5.042 1.00 0.00 H new ATOM 1416 N ILE A 88 83.830 5.666 4.181 1.00 0.00 N ATOM 1417 CA ILE A 88 84.897 4.755 4.698 1.00 0.00 C ATOM 1418 C ILE A 88 86.109 5.554 5.191 1.00 0.00 C ATOM 1419 O ILE A 88 86.538 6.507 4.574 1.00 0.00 O ATOM 1420 CB ILE A 88 85.317 3.887 3.517 1.00 0.00 C ATOM 1421 CG1 ILE A 88 84.196 2.921 3.167 1.00 0.00 C ATOM 1422 CG2 ILE A 88 86.565 3.069 3.879 1.00 0.00 C ATOM 1423 CD1 ILE A 88 83.412 3.455 1.972 1.00 0.00 C ATOM 0 H ILE A 88 84.148 6.375 3.520 1.00 0.00 H new ATOM 0 HA ILE A 88 84.527 4.166 5.537 1.00 0.00 H new ATOM 0 HB ILE A 88 85.534 4.537 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 88 84.608 1.939 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 88 83.532 2.794 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 88 86.856 2.453 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 88 87.382 3.745 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 88 86.345 2.428 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 88 82.609 2.761 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 88 82.987 4.427 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 88 84.079 3.559 1.116 1.00 0.00 H new ATOM 1435 N GLU A 89 86.695 5.127 6.268 1.00 0.00 N ATOM 1436 CA GLU A 89 87.916 5.798 6.781 1.00 0.00 C ATOM 1437 C GLU A 89 89.042 4.770 6.729 1.00 0.00 C ATOM 1438 O GLU A 89 88.962 3.723 7.342 1.00 0.00 O ATOM 1439 CB GLU A 89 87.592 6.205 8.226 1.00 0.00 C ATOM 1440 CG GLU A 89 86.566 7.346 8.211 1.00 0.00 C ATOM 1441 CD GLU A 89 86.077 7.643 9.633 1.00 0.00 C ATOM 1442 OE1 GLU A 89 86.568 7.014 10.555 1.00 0.00 O ATOM 1443 OE2 GLU A 89 85.213 8.495 9.774 1.00 0.00 O ATOM 0 H GLU A 89 86.377 4.332 6.822 1.00 0.00 H new ATOM 0 HA GLU A 89 88.217 6.676 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 89 87.197 5.352 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 89 88.500 6.523 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 89 87.014 8.241 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 89 85.721 7.075 7.578 1.00 0.00 H new ATOM 1450 N VAL A 90 90.079 5.031 5.987 1.00 0.00 N ATOM 1451 CA VAL A 90 91.173 4.022 5.899 1.00 0.00 C ATOM 1452 C VAL A 90 92.357 4.443 6.757 1.00 0.00 C ATOM 1453 O VAL A 90 92.728 5.596 6.807 1.00 0.00 O ATOM 1454 CB VAL A 90 91.606 3.916 4.421 1.00 0.00 C ATOM 1455 CG1 VAL A 90 91.321 2.517 3.898 1.00 0.00 C ATOM 1456 CG2 VAL A 90 90.843 4.882 3.540 1.00 0.00 C ATOM 0 H VAL A 90 90.218 5.884 5.445 1.00 0.00 H new ATOM 0 HA VAL A 90 90.819 3.058 6.264 1.00 0.00 H new ATOM 0 HB VAL A 90 92.670 4.150 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 90 91.629 2.449 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 90 91.876 1.788 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 90 90.254 2.310 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 90 91.178 4.775 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 90 89.777 4.665 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 90 91.025 5.903 3.877 1.00 0.00 H new ATOM 1466 N TYR A 91 92.956 3.505 7.424 1.00 0.00 N ATOM 1467 CA TYR A 91 94.128 3.835 8.276 1.00 0.00 C ATOM 1468 C TYR A 91 95.395 3.340 7.594 1.00 0.00 C ATOM 1469 O TYR A 91 95.657 2.156 7.520 1.00 0.00 O ATOM 1470 CB TYR A 91 93.891 3.095 9.593 1.00 0.00 C ATOM 1471 CG TYR A 91 92.658 3.659 10.256 1.00 0.00 C ATOM 1472 CD1 TYR A 91 92.731 4.835 11.019 1.00 0.00 C ATOM 1473 CD2 TYR A 91 91.432 3.012 10.089 1.00 0.00 C ATOM 1474 CE1 TYR A 91 91.566 5.367 11.600 1.00 0.00 C ATOM 1475 CE2 TYR A 91 90.276 3.536 10.676 1.00 0.00 C ATOM 1476 CZ TYR A 91 90.338 4.712 11.431 1.00 0.00 C ATOM 1477 OH TYR A 91 89.184 5.240 11.982 1.00 0.00 O ATOM 0 H TYR A 91 92.686 2.521 7.418 1.00 0.00 H new ATOM 0 HA TYR A 91 94.243 4.906 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 91 93.765 2.028 9.408 1.00 0.00 H new ATOM 0 HB3 TYR A 91 94.755 3.205 10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 91 93.680 5.330 11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 91 91.376 2.105 9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 91 91.617 6.279 12.176 1.00 0.00 H new ATOM 0 HE2 TYR A 91 89.331 3.030 10.546 1.00 0.00 H new ATOM 0 HH TYR A 91 89.258 6.216 12.024 1.00 0.00 H new ATOM 1487 N GLN A 92 96.169 4.242 7.078 1.00 0.00 N ATOM 1488 CA GLN A 92 97.410 3.834 6.373 1.00 0.00 C ATOM 1489 C GLN A 92 98.616 3.922 7.323 1.00 0.00 C ATOM 1490 O GLN A 92 98.790 4.899 8.024 1.00 0.00 O ATOM 1491 CB GLN A 92 97.518 4.843 5.233 1.00 0.00 C ATOM 1492 CG GLN A 92 96.184 4.897 4.490 1.00 0.00 C ATOM 1493 CD GLN A 92 96.370 5.619 3.160 1.00 0.00 C ATOM 1494 OE1 GLN A 92 97.476 5.762 2.679 1.00 0.00 O ATOM 1495 NE2 GLN A 92 95.320 6.081 2.542 1.00 0.00 N ATOM 0 H GLN A 92 95.998 5.247 7.113 1.00 0.00 H new ATOM 0 HA GLN A 92 97.390 2.805 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 92 97.771 5.828 5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 92 98.318 4.556 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 92 95.810 3.888 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 92 95.439 5.414 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.393 5.958 2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 92 95.425 6.565 1.650 1.00 0.00 H new