USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 50 SER OG : rot 12:sc= 1.23 USER MOD Set 1.2: A 53 GLN : amide:sc= -0.0167 K(o=1.2,f=-2.7!) USER MOD Set 2.1: A 32 SER OG : rot 22:sc= 0.804 USER MOD Set 2.2: A 51 TYR OH : rot -48:sc= 1.15 USER MOD Set 2.3: A 55 GLN : amide:sc= 0.908 K(o=2.9,f=0.13) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 MET CE :methyl -128:sc= 0 (180deg=-0.023) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.21) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= -0.979! C(o=-0.98!,f=-7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.0389 X(o=-0.039,f=-0.32) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.23) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 158:sc= -0.191 (180deg=-0.651) USER MOD Single : A 41 THR OG1 : rot -20:sc= 0.783! USER MOD Single : A 42 THR OG1 : rot 108:sc= 1.32 USER MOD Single : A 43 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.086) 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 52 CYS SG : rot -68:sc= -0.0368 USER MOD Single : A 60 ASN : amide:sc= 0.26 K(o=0.26,f=-1.7!) USER MOD Single : A 61 SER OG : rot -99:sc= 1.32 USER MOD Single : A 69 GLN : amide:sc= 0.856 K(o=0.86,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.489 K(o=-0.49,f=-2.1) USER MOD Single : A 75 HIS : no HD1:sc= 0.416 K(o=0.42,f=-4.9!) USER MOD Single : A 76 THR OG1 : rot 111:sc= 1.36 USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 1.33 (180deg=1.19) USER MOD Single : A 82 MET CE :methyl -169:sc=-0.00703 (180deg=-0.307) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 80.275 9.865 -11.895 1.00 0.00 N ATOM 291 CA TYR A 21 79.651 8.545 -11.794 1.00 0.00 C ATOM 292 C TYR A 21 78.234 8.655 -11.232 1.00 0.00 C ATOM 293 O TYR A 21 77.926 9.570 -10.469 1.00 0.00 O ATOM 294 CB TYR A 21 80.510 7.600 -10.930 1.00 0.00 C ATOM 295 CG TYR A 21 80.859 8.136 -9.555 1.00 0.00 C ATOM 296 CD1 TYR A 21 79.961 8.045 -8.499 1.00 0.00 C ATOM 297 CD2 TYR A 21 82.097 8.720 -9.312 1.00 0.00 C ATOM 298 CE1 TYR A 21 80.283 8.522 -7.244 1.00 0.00 C ATOM 299 CE2 TYR A 21 82.427 9.200 -8.059 1.00 0.00 C ATOM 300 CZ TYR A 21 81.516 9.099 -7.030 1.00 0.00 C ATOM 301 OH TYR A 21 81.843 9.576 -5.782 1.00 0.00 O ATOM 0 HA TYR A 21 79.585 8.123 -12.797 1.00 0.00 H new ATOM 0 HB2 TYR A 21 79.979 6.655 -10.812 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.434 7.382 -11.465 1.00 0.00 H new ATOM 0 HD1 TYR A 21 78.994 7.593 -8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 21 82.813 8.800 -10.116 1.00 0.00 H new ATOM 0 HE1 TYR A 21 79.572 8.443 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 21 83.393 9.652 -7.887 1.00 0.00 H new ATOM 0 HH TYR A 21 82.748 9.950 -5.802 1.00 0.00 H new ATOM 311 N ILE A 22 77.372 7.724 -11.629 1.00 0.00 N ATOM 312 CA ILE A 22 75.988 7.721 -11.164 1.00 0.00 C ATOM 313 C ILE A 22 75.850 6.972 -9.835 1.00 0.00 C ATOM 314 O ILE A 22 74.934 7.242 -9.058 1.00 0.00 O ATOM 315 CB ILE A 22 75.030 7.094 -12.202 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.632 7.137 -13.618 1.00 0.00 C ATOM 317 CG2 ILE A 22 73.689 7.811 -12.171 1.00 0.00 C ATOM 318 CD1 ILE A 22 75.569 8.498 -14.282 1.00 0.00 C ATOM 0 H ILE A 22 77.605 6.965 -12.269 1.00 0.00 H new ATOM 0 HA ILE A 22 75.710 8.765 -11.021 1.00 0.00 H new ATOM 0 HB ILE A 22 74.880 6.047 -11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 22 76.673 6.818 -13.567 1.00 0.00 H new ATOM 0 HG13 ILE A 22 75.108 6.415 -14.245 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.020 7.363 -12.906 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.250 7.720 -11.177 1.00 0.00 H new ATOM 0 HG23 ILE A 22 73.834 8.865 -12.408 1.00 0.00 H new ATOM 0 HD11 ILE A 22 76.014 8.439 -15.275 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.529 8.813 -14.369 1.00 0.00 H new ATOM 0 HD13 ILE A 22 76.118 9.222 -13.680 1.00 0.00 H new ATOM 330 N LYS A 23 76.776 6.033 -9.596 1.00 0.00 N ATOM 331 CA LYS A 23 76.805 5.223 -8.368 1.00 0.00 C ATOM 332 C LYS A 23 75.649 4.216 -8.318 1.00 0.00 C ATOM 333 O LYS A 23 74.487 4.579 -8.114 1.00 0.00 O ATOM 334 CB LYS A 23 76.798 6.117 -7.115 1.00 0.00 C ATOM 335 CG LYS A 23 76.689 5.352 -5.801 1.00 0.00 C ATOM 336 CD LYS A 23 75.826 6.096 -4.792 1.00 0.00 C ATOM 337 CE LYS A 23 74.414 5.528 -4.734 1.00 0.00 C ATOM 338 NZ LYS A 23 73.604 5.927 -5.919 1.00 0.00 N ATOM 0 H LYS A 23 77.528 5.813 -10.249 1.00 0.00 H new ATOM 0 HA LYS A 23 77.735 4.655 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 23 77.712 6.711 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 23 75.964 6.816 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 23 76.264 4.366 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.685 5.197 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.284 6.034 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 23 75.783 7.152 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 23 74.463 4.441 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 23 73.921 5.873 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 72.640 5.548 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 73.564 6.965 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 74.042 5.547 -6.783 1.00 0.00 H new ATOM 352 N LEU A 24 75.981 2.941 -8.494 1.00 0.00 N ATOM 353 CA LEU A 24 74.982 1.876 -8.470 1.00 0.00 C ATOM 354 C LEU A 24 74.897 1.233 -7.086 1.00 0.00 C ATOM 355 O LEU A 24 75.896 1.143 -6.367 1.00 0.00 O ATOM 356 CB LEU A 24 75.311 0.816 -9.522 1.00 0.00 C ATOM 357 CG LEU A 24 74.471 0.889 -10.798 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.358 1.140 -12.008 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.664 -0.387 -10.978 1.00 0.00 C ATOM 0 H LEU A 24 76.935 2.619 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 24 74.013 2.318 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.363 0.908 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 24 75.181 -0.170 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 24 73.776 1.723 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.743 1.189 -12.906 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.889 2.083 -11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.079 0.328 -12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.072 -0.318 -11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.341 -1.239 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 24 73.000 -0.521 -10.124 1.00 0.00 H new ATOM 371 N LYS A 25 73.703 0.781 -6.718 1.00 0.00 N ATOM 372 CA LYS A 25 73.489 0.153 -5.416 1.00 0.00 C ATOM 373 C LYS A 25 73.085 -1.316 -5.557 1.00 0.00 C ATOM 374 O LYS A 25 72.070 -1.641 -6.177 1.00 0.00 O ATOM 375 CB LYS A 25 72.420 0.920 -4.632 1.00 0.00 C ATOM 376 CG LYS A 25 72.322 0.511 -3.169 1.00 0.00 C ATOM 377 CD LYS A 25 70.994 0.934 -2.557 1.00 0.00 C ATOM 378 CE LYS A 25 71.110 2.260 -1.821 1.00 0.00 C ATOM 379 NZ LYS A 25 70.317 2.266 -0.561 1.00 0.00 N ATOM 0 H LYS A 25 72.868 0.837 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 25 74.432 0.187 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.637 1.987 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.452 0.766 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.434 -0.570 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.141 0.962 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.242 1.018 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 25 70.650 0.164 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.157 2.458 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 25 70.768 3.066 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 70.325 3.221 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.337 1.986 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 70.734 1.595 0.115 1.00 0.00 H new ATOM 393 N VAL A 26 73.895 -2.201 -4.981 1.00 0.00 N ATOM 394 CA VAL A 26 73.631 -3.639 -5.023 1.00 0.00 C ATOM 395 C VAL A 26 73.487 -4.200 -3.604 1.00 0.00 C ATOM 396 O VAL A 26 74.324 -3.938 -2.737 1.00 0.00 O ATOM 397 CB VAL A 26 74.760 -4.390 -5.777 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.659 -5.896 -5.570 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.723 -4.055 -7.262 1.00 0.00 C ATOM 0 H VAL A 26 74.744 -1.947 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 26 72.696 -3.792 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 26 75.713 -4.059 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.464 -6.392 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.742 -6.124 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.698 -6.251 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.522 -4.590 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.761 -4.353 -7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 26 74.860 -2.982 -7.396 1.00 0.00 H new ATOM 409 N ILE A 27 72.420 -4.964 -3.364 1.00 0.00 N ATOM 410 CA ILE A 27 72.175 -5.542 -2.038 1.00 0.00 C ATOM 411 C ILE A 27 72.092 -7.072 -2.095 1.00 0.00 C ATOM 412 O ILE A 27 71.303 -7.635 -2.856 1.00 0.00 O ATOM 413 CB ILE A 27 70.873 -4.993 -1.402 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.843 -3.457 -1.434 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.733 -5.492 0.032 1.00 0.00 C ATOM 416 CD1 ILE A 27 69.526 -2.868 -0.974 1.00 0.00 C ATOM 0 H ILE A 27 71.715 -5.197 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 27 73.024 -5.251 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 27 70.032 -5.360 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 27 71.644 -3.073 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 27 71.048 -3.119 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 27 69.814 -5.098 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.699 -6.581 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 27 71.586 -5.153 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 27 69.577 -1.780 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.723 -3.223 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 27 69.328 -3.176 0.053 1.00 0.00 H new ATOM 428 N GLY A 28 72.907 -7.737 -1.280 1.00 0.00 N ATOM 429 CA GLY A 28 72.903 -9.194 -1.247 1.00 0.00 C ATOM 430 C GLY A 28 72.228 -9.752 -0.003 1.00 0.00 C ATOM 431 O GLY A 28 71.797 -8.997 0.869 1.00 0.00 O ATOM 0 H GLY A 28 73.570 -7.296 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.392 -9.572 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.930 -9.557 -1.292 1.00 0.00 H new ATOM 435 N GLN A 29 72.157 -11.083 0.089 1.00 0.00 N ATOM 436 CA GLN A 29 71.522 -11.749 1.240 1.00 0.00 C ATOM 437 C GLN A 29 72.292 -11.519 2.546 1.00 0.00 C ATOM 438 O GLN A 29 71.773 -11.774 3.632 1.00 0.00 O ATOM 439 CB GLN A 29 71.393 -13.257 0.998 1.00 0.00 C ATOM 440 CG GLN A 29 70.852 -13.622 -0.376 1.00 0.00 C ATOM 441 CD GLN A 29 69.997 -14.878 -0.363 1.00 0.00 C ATOM 442 OE1 GLN A 29 69.285 -15.164 -1.320 1.00 0.00 O ATOM 443 NE2 GLN A 29 70.065 -15.645 0.714 1.00 0.00 N ATOM 0 H GLN A 29 72.528 -11.722 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 29 70.532 -11.304 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.372 -13.720 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.738 -13.681 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 29 70.261 -12.791 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 29 71.686 -13.764 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 29 70.667 -15.378 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 29 69.515 -16.503 0.765 1.00 0.00 H new ATOM 452 N ASP A 30 73.527 -11.036 2.440 1.00 0.00 N ATOM 453 CA ASP A 30 74.354 -10.780 3.617 1.00 0.00 C ATOM 454 C ASP A 30 74.064 -9.401 4.231 1.00 0.00 C ATOM 455 O ASP A 30 74.697 -9.010 5.211 1.00 0.00 O ATOM 456 CB ASP A 30 75.837 -10.889 3.250 1.00 0.00 C ATOM 457 CG ASP A 30 76.315 -12.327 3.195 1.00 0.00 C ATOM 458 OD1 ASP A 30 75.770 -13.105 2.382 1.00 0.00 O ATOM 459 OD2 ASP A 30 77.236 -12.677 3.963 1.00 0.00 O ATOM 0 H ASP A 30 73.977 -10.814 1.552 1.00 0.00 H new ATOM 0 HA ASP A 30 74.107 -11.534 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 30 76.005 -10.416 2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 30 76.431 -10.339 3.981 1.00 0.00 H new ATOM 464 N SER A 31 73.103 -8.677 3.643 1.00 0.00 N ATOM 465 CA SER A 31 72.710 -7.340 4.121 1.00 0.00 C ATOM 466 C SER A 31 73.892 -6.368 4.118 1.00 0.00 C ATOM 467 O SER A 31 74.100 -5.616 5.072 1.00 0.00 O ATOM 468 CB SER A 31 72.104 -7.422 5.526 1.00 0.00 C ATOM 469 OG SER A 31 70.687 -7.440 5.469 1.00 0.00 O ATOM 0 H SER A 31 72.578 -8.996 2.829 1.00 0.00 H new ATOM 0 HA SER A 31 71.957 -6.959 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 31 72.463 -8.320 6.029 1.00 0.00 H new ATOM 0 HB3 SER A 31 72.437 -6.570 6.120 1.00 0.00 H new ATOM 0 HG SER A 31 70.324 -7.494 6.378 1.00 0.00 H new ATOM 475 N SER A 32 74.654 -6.377 3.031 1.00 0.00 N ATOM 476 CA SER A 32 75.818 -5.504 2.899 1.00 0.00 C ATOM 477 C SER A 32 75.570 -4.405 1.869 1.00 0.00 C ATOM 478 O SER A 32 75.366 -4.687 0.686 1.00 0.00 O ATOM 479 CB SER A 32 77.047 -6.322 2.495 1.00 0.00 C ATOM 480 OG SER A 32 76.899 -6.851 1.187 1.00 0.00 O ATOM 0 H SER A 32 74.488 -6.980 2.225 1.00 0.00 H new ATOM 0 HA SER A 32 75.996 -5.034 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 32 77.937 -5.694 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 32 77.196 -7.135 3.205 1.00 0.00 H new ATOM 0 HG SER A 32 76.244 -6.317 0.691 1.00 0.00 H new ATOM 486 N GLU A 33 75.591 -3.152 2.319 1.00 0.00 N ATOM 487 CA GLU A 33 75.372 -2.016 1.427 1.00 0.00 C ATOM 488 C GLU A 33 76.651 -1.668 0.664 1.00 0.00 C ATOM 489 O GLU A 33 77.606 -1.142 1.239 1.00 0.00 O ATOM 490 CB GLU A 33 74.894 -0.797 2.223 1.00 0.00 C ATOM 491 CG GLU A 33 73.383 -0.614 2.224 1.00 0.00 C ATOM 492 CD GLU A 33 72.926 0.528 1.334 1.00 0.00 C ATOM 493 OE1 GLU A 33 73.788 1.183 0.708 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.700 0.771 1.260 1.00 0.00 O ATOM 0 H GLU A 33 75.757 -2.898 3.293 1.00 0.00 H new ATOM 0 HA GLU A 33 74.603 -2.296 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 33 75.239 -0.890 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.358 0.099 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.910 -1.538 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.045 -0.431 3.244 1.00 0.00 H new ATOM 501 N ILE A 34 76.662 -1.957 -0.634 1.00 0.00 N ATOM 502 CA ILE A 34 77.827 -1.673 -1.469 1.00 0.00 C ATOM 503 C ILE A 34 77.500 -0.639 -2.547 1.00 0.00 C ATOM 504 O ILE A 34 76.601 -0.838 -3.366 1.00 0.00 O ATOM 505 CB ILE A 34 78.375 -2.954 -2.138 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.593 -4.053 -1.093 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.674 -2.658 -2.878 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.944 -5.401 -1.686 1.00 0.00 C ATOM 0 H ILE A 34 75.881 -2.386 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 34 78.593 -1.268 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 34 77.639 -3.305 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 34 79.391 -3.745 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.689 -4.155 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.045 -3.572 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.492 -1.908 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.416 -2.282 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.083 -6.126 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.137 -5.732 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 34 79.865 -5.316 -2.262 1.00 0.00 H new ATOM 520 N HIS A 35 78.233 0.469 -2.534 1.00 0.00 N ATOM 521 CA HIS A 35 78.035 1.537 -3.511 1.00 0.00 C ATOM 522 C HIS A 35 79.091 1.465 -4.611 1.00 0.00 C ATOM 523 O HIS A 35 80.279 1.679 -4.363 1.00 0.00 O ATOM 524 CB HIS A 35 78.085 2.907 -2.829 1.00 0.00 C ATOM 525 CG HIS A 35 76.892 3.189 -1.964 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.971 3.871 -0.771 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.589 2.866 -2.122 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.769 3.955 -0.231 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.908 3.353 -1.032 1.00 0.00 N ATOM 0 H HIS A 35 78.972 0.653 -1.856 1.00 0.00 H new ATOM 0 HA HIS A 35 77.051 1.404 -3.961 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.987 2.968 -2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.162 3.681 -3.592 1.00 0.00 H new ATOM 0 HD1 HIS A 35 77.826 4.253 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.161 2.324 -2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 35 75.530 4.435 0.707 1.00 0.00 H new ATOM 537 N PHE A 36 78.652 1.163 -5.827 1.00 0.00 N ATOM 538 CA PHE A 36 79.564 1.050 -6.962 1.00 0.00 C ATOM 539 C PHE A 36 79.707 2.382 -7.697 1.00 0.00 C ATOM 540 O PHE A 36 78.801 2.809 -8.415 1.00 0.00 O ATOM 541 CB PHE A 36 79.070 -0.029 -7.928 1.00 0.00 C ATOM 542 CG PHE A 36 79.339 -1.428 -7.449 1.00 0.00 C ATOM 543 CD1 PHE A 36 78.294 -2.313 -7.234 1.00 0.00 C ATOM 544 CD2 PHE A 36 80.636 -1.857 -7.214 1.00 0.00 C ATOM 545 CE1 PHE A 36 78.539 -3.600 -6.793 1.00 0.00 C ATOM 546 CE2 PHE A 36 80.884 -3.143 -6.775 1.00 0.00 C ATOM 547 CZ PHE A 36 79.835 -4.015 -6.563 1.00 0.00 C ATOM 0 H PHE A 36 77.672 0.992 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 36 80.545 0.770 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 36 77.998 0.095 -8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 36 79.549 0.114 -8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 36 77.278 -1.994 -7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.461 -1.179 -7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.717 -4.280 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.899 -3.466 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A 36 80.028 -5.020 -6.218 1.00 0.00 H new ATOM 557 N LYS A 37 80.854 3.033 -7.511 1.00 0.00 N ATOM 558 CA LYS A 37 81.126 4.319 -8.157 1.00 0.00 C ATOM 559 C LYS A 37 81.504 4.124 -9.628 1.00 0.00 C ATOM 560 O LYS A 37 82.670 4.223 -10.007 1.00 0.00 O ATOM 561 CB LYS A 37 82.248 5.055 -7.418 1.00 0.00 C ATOM 562 CG LYS A 37 81.946 5.314 -5.950 1.00 0.00 C ATOM 563 CD LYS A 37 82.977 4.657 -5.044 1.00 0.00 C ATOM 564 CE LYS A 37 82.417 4.407 -3.653 1.00 0.00 C ATOM 565 NZ LYS A 37 82.413 2.958 -3.309 1.00 0.00 N ATOM 0 H LYS A 37 81.611 2.692 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 37 80.218 4.920 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 37 83.165 4.471 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 37 82.435 6.007 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 37 81.929 6.388 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 37 80.953 4.934 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 37 83.299 3.713 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 37 83.859 5.293 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 37 83.010 4.953 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 37 81.401 4.797 -3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 82.441 2.847 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 81.549 2.515 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.246 2.499 -3.729 1.00 0.00 H new ATOM 579 N VAL A 38 80.498 3.847 -10.451 1.00 0.00 N ATOM 580 CA VAL A 38 80.704 3.628 -11.879 1.00 0.00 C ATOM 581 C VAL A 38 79.562 4.253 -12.699 1.00 0.00 C ATOM 582 O VAL A 38 78.561 4.709 -12.137 1.00 0.00 O ATOM 583 CB VAL A 38 80.826 2.107 -12.177 1.00 0.00 C ATOM 584 CG1 VAL A 38 79.457 1.460 -12.355 1.00 0.00 C ATOM 585 CG2 VAL A 38 81.708 1.853 -13.393 1.00 0.00 C ATOM 0 H VAL A 38 79.526 3.768 -10.152 1.00 0.00 H new ATOM 0 HA VAL A 38 81.634 4.115 -12.172 1.00 0.00 H new ATOM 0 HB VAL A 38 81.301 1.644 -11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.581 0.397 -12.562 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.873 1.587 -11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 38 78.936 1.933 -13.187 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.774 0.781 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 38 81.276 2.344 -14.265 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.705 2.252 -13.209 1.00 0.00 H new ATOM 595 N LYS A 39 79.727 4.295 -14.020 1.00 0.00 N ATOM 596 CA LYS A 39 78.708 4.858 -14.904 1.00 0.00 C ATOM 597 C LYS A 39 77.598 3.840 -15.182 1.00 0.00 C ATOM 598 O LYS A 39 77.792 2.634 -15.026 1.00 0.00 O ATOM 599 CB LYS A 39 79.339 5.314 -16.221 1.00 0.00 C ATOM 600 CG LYS A 39 80.327 6.460 -16.063 1.00 0.00 C ATOM 601 CD LYS A 39 81.636 6.166 -16.775 1.00 0.00 C ATOM 602 CE LYS A 39 82.556 7.376 -16.778 1.00 0.00 C ATOM 603 NZ LYS A 39 82.311 8.259 -17.953 1.00 0.00 N ATOM 0 H LYS A 39 80.556 3.946 -14.501 1.00 0.00 H new ATOM 0 HA LYS A 39 78.267 5.719 -14.403 1.00 0.00 H new ATOM 0 HB2 LYS A 39 79.849 4.468 -16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.548 5.620 -16.906 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.891 7.376 -16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.518 6.634 -15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.136 5.329 -16.287 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.432 5.861 -17.801 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.410 7.945 -15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.594 7.043 -16.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.959 9.072 -17.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.475 7.724 -18.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 81.328 8.598 -17.933 1.00 0.00 H new ATOM 617 N MET A 40 76.440 4.329 -15.616 1.00 0.00 N ATOM 618 CA MET A 40 75.301 3.457 -15.908 1.00 0.00 C ATOM 619 C MET A 40 75.469 2.717 -17.247 1.00 0.00 C ATOM 620 O MET A 40 74.781 1.729 -17.506 1.00 0.00 O ATOM 621 CB MET A 40 74.004 4.271 -15.926 1.00 0.00 C ATOM 622 CG MET A 40 73.285 4.292 -14.586 1.00 0.00 C ATOM 623 SD MET A 40 71.860 5.405 -14.568 1.00 0.00 S ATOM 624 CE MET A 40 71.052 4.994 -16.115 1.00 0.00 C ATOM 0 H MET A 40 76.263 5.321 -15.774 1.00 0.00 H new ATOM 0 HA MET A 40 75.254 2.708 -15.117 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.230 5.295 -16.224 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.336 3.859 -16.682 1.00 0.00 H new ATOM 0 HG2 MET A 40 72.954 3.283 -14.341 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.986 4.595 -13.808 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.003 5.286 -16.067 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.539 5.525 -16.932 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.122 3.920 -16.288 1.00 0.00 H new ATOM 634 N THR A 41 76.384 3.193 -18.099 1.00 0.00 N ATOM 635 CA THR A 41 76.626 2.556 -19.398 1.00 0.00 C ATOM 636 C THR A 41 77.574 1.355 -19.273 1.00 0.00 C ATOM 637 O THR A 41 77.878 0.685 -20.263 1.00 0.00 O ATOM 638 CB THR A 41 77.203 3.555 -20.430 1.00 0.00 C ATOM 639 OG1 THR A 41 77.563 2.873 -21.638 1.00 0.00 O ATOM 640 CG2 THR A 41 78.421 4.280 -19.871 1.00 0.00 C ATOM 0 H THR A 41 76.965 4.011 -17.914 1.00 0.00 H new ATOM 0 HA THR A 41 75.656 2.206 -19.751 1.00 0.00 H new ATOM 0 HB THR A 41 76.430 4.292 -20.648 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.668 1.916 -21.454 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.805 4.975 -20.618 1.00 0.00 H new ATOM 0 HG22 THR A 41 78.137 4.831 -18.974 1.00 0.00 H new ATOM 0 HG23 THR A 41 79.194 3.553 -19.620 1.00 0.00 H new ATOM 648 N THR A 42 78.031 1.085 -18.055 1.00 0.00 N ATOM 649 CA THR A 42 78.936 -0.036 -17.796 1.00 0.00 C ATOM 650 C THR A 42 78.169 -1.357 -17.710 1.00 0.00 C ATOM 651 O THR A 42 77.030 -1.394 -17.246 1.00 0.00 O ATOM 652 CB THR A 42 79.724 0.173 -16.486 1.00 0.00 C ATOM 653 OG1 THR A 42 79.842 1.573 -16.202 1.00 0.00 O ATOM 654 CG2 THR A 42 81.113 -0.440 -16.573 1.00 0.00 C ATOM 0 H THR A 42 77.790 1.628 -17.226 1.00 0.00 H new ATOM 0 HA THR A 42 79.635 -0.079 -18.632 1.00 0.00 H new ATOM 0 HB THR A 42 79.175 -0.323 -15.685 1.00 0.00 H new ATOM 0 HG1 THR A 42 79.260 1.804 -15.449 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.643 -0.276 -15.635 1.00 0.00 H new ATOM 0 HG22 THR A 42 81.027 -1.511 -16.759 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.666 0.026 -17.388 1.00 0.00 H new ATOM 662 N HIS A 43 78.800 -2.436 -18.163 1.00 0.00 N ATOM 663 CA HIS A 43 78.178 -3.761 -18.138 1.00 0.00 C ATOM 664 C HIS A 43 78.165 -4.345 -16.723 1.00 0.00 C ATOM 665 O HIS A 43 79.031 -4.030 -15.904 1.00 0.00 O ATOM 666 CB HIS A 43 78.916 -4.712 -19.083 1.00 0.00 C ATOM 667 CG HIS A 43 78.352 -4.744 -20.472 1.00 0.00 C ATOM 668 ND1 HIS A 43 78.967 -5.393 -21.519 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.218 -4.207 -20.984 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.242 -5.255 -22.613 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.173 -4.540 -22.316 1.00 0.00 N ATOM 0 H HIS A 43 79.743 -2.422 -18.553 1.00 0.00 H new ATOM 0 HA HIS A 43 77.146 -3.649 -18.471 1.00 0.00 H new ATOM 0 HB2 HIS A 43 79.964 -4.418 -19.133 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.887 -5.719 -18.666 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.485 -3.625 -20.445 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.482 -5.658 -23.586 1.00 0.00 H new ATOM 0 HE2 HIS A 43 76.434 -4.278 -22.969 1.00 0.00 H new ATOM 679 N LEU A 44 77.189 -5.211 -16.447 1.00 0.00 N ATOM 680 CA LEU A 44 77.057 -5.829 -15.124 1.00 0.00 C ATOM 681 C LEU A 44 78.218 -6.781 -14.788 1.00 0.00 C ATOM 682 O LEU A 44 78.388 -7.153 -13.628 1.00 0.00 O ATOM 683 CB LEU A 44 75.720 -6.567 -15.020 1.00 0.00 C ATOM 684 CG LEU A 44 74.663 -5.891 -14.137 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.950 -6.144 -12.665 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.591 -4.395 -14.416 1.00 0.00 C ATOM 0 H LEU A 44 76.479 -5.501 -17.119 1.00 0.00 H new ATOM 0 HA LEU A 44 77.091 -5.022 -14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.310 -6.684 -16.023 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.906 -7.569 -14.632 1.00 0.00 H new ATOM 0 HG LEU A 44 73.695 -6.328 -14.381 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.189 -5.656 -12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.937 -7.216 -12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.930 -5.741 -12.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.834 -3.942 -13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.560 -3.940 -14.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.328 -4.232 -15.461 1.00 0.00 H new ATOM 698 N LYS A 45 79.011 -7.180 -15.794 1.00 0.00 N ATOM 699 CA LYS A 45 80.147 -8.086 -15.580 1.00 0.00 C ATOM 700 C LYS A 45 81.122 -7.546 -14.526 1.00 0.00 C ATOM 701 O LYS A 45 81.747 -8.316 -13.797 1.00 0.00 O ATOM 702 CB LYS A 45 80.879 -8.349 -16.909 1.00 0.00 C ATOM 703 CG LYS A 45 81.921 -7.299 -17.279 1.00 0.00 C ATOM 704 CD LYS A 45 83.313 -7.903 -17.387 1.00 0.00 C ATOM 705 CE LYS A 45 83.586 -8.424 -18.790 1.00 0.00 C ATOM 706 NZ LYS A 45 84.946 -9.020 -18.906 1.00 0.00 N ATOM 0 H LYS A 45 78.885 -6.889 -16.763 1.00 0.00 H new ATOM 0 HA LYS A 45 79.749 -9.027 -15.201 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.367 -9.322 -16.853 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.141 -8.408 -17.709 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.650 -6.836 -18.228 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.924 -6.509 -16.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.058 -7.152 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.415 -8.717 -16.669 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.838 -9.173 -19.051 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.485 -7.609 -19.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 85.093 -9.363 -19.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.661 -8.299 -18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 85.035 -9.815 -18.241 1.00 0.00 H new ATOM 720 N LYS A 46 81.239 -6.223 -14.440 1.00 0.00 N ATOM 721 CA LYS A 46 82.131 -5.593 -13.473 1.00 0.00 C ATOM 722 C LYS A 46 81.496 -5.549 -12.083 1.00 0.00 C ATOM 723 O LYS A 46 82.152 -5.831 -11.083 1.00 0.00 O ATOM 724 CB LYS A 46 82.488 -4.173 -13.926 1.00 0.00 C ATOM 725 CG LYS A 46 83.519 -4.130 -15.042 1.00 0.00 C ATOM 726 CD LYS A 46 84.934 -4.052 -14.491 1.00 0.00 C ATOM 727 CE LYS A 46 85.965 -4.414 -15.549 1.00 0.00 C ATOM 728 NZ LYS A 46 87.356 -4.270 -15.040 1.00 0.00 N ATOM 0 H LYS A 46 80.726 -5.567 -15.029 1.00 0.00 H new ATOM 0 HA LYS A 46 83.040 -6.192 -13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.581 -3.669 -14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.867 -3.613 -13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.419 -5.018 -15.666 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.329 -3.268 -15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 46 85.127 -3.044 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 46 85.032 -4.726 -13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.803 -5.441 -15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.830 -3.775 -16.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 88.029 -4.526 -15.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 87.519 -3.285 -14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 87.494 -4.899 -14.223 1.00 0.00 H new ATOM 742 N LEU A 47 80.209 -5.219 -12.035 1.00 0.00 N ATOM 743 CA LEU A 47 79.474 -5.128 -10.770 1.00 0.00 C ATOM 744 C LEU A 47 79.254 -6.504 -10.134 1.00 0.00 C ATOM 745 O LEU A 47 79.519 -6.699 -8.948 1.00 0.00 O ATOM 746 CB LEU A 47 78.122 -4.442 -10.996 1.00 0.00 C ATOM 747 CG LEU A 47 78.177 -3.099 -11.734 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.804 -2.451 -11.760 1.00 0.00 C ATOM 749 CD2 LEU A 47 79.190 -2.167 -11.084 1.00 0.00 C ATOM 0 H LEU A 47 79.648 -5.008 -12.860 1.00 0.00 H new ATOM 0 HA LEU A 47 80.079 -4.536 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.480 -5.120 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.648 -4.285 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 47 78.493 -3.287 -12.760 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.861 -1.499 -12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 47 76.101 -3.108 -12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.463 -2.280 -10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 47 79.212 -1.220 -11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 47 78.906 -1.987 -10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 47 80.178 -2.626 -11.115 1.00 0.00 H new ATOM 761 N LYS A 48 78.778 -7.456 -10.938 1.00 0.00 N ATOM 762 CA LYS A 48 78.506 -8.819 -10.471 1.00 0.00 C ATOM 763 C LYS A 48 79.770 -9.507 -9.939 1.00 0.00 C ATOM 764 O LYS A 48 79.732 -10.183 -8.911 1.00 0.00 O ATOM 765 CB LYS A 48 77.903 -9.642 -11.614 1.00 0.00 C ATOM 766 CG LYS A 48 76.888 -10.680 -11.167 1.00 0.00 C ATOM 767 CD LYS A 48 75.953 -11.065 -12.307 1.00 0.00 C ATOM 768 CE LYS A 48 75.092 -12.265 -11.948 1.00 0.00 C ATOM 769 NZ LYS A 48 75.790 -13.554 -12.209 1.00 0.00 N ATOM 0 H LYS A 48 78.571 -7.307 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 48 77.798 -8.755 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.425 -8.964 -12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.709 -10.145 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.407 -11.567 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.306 -10.288 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.312 -10.218 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.539 -11.291 -13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 74.815 -12.210 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.167 -12.232 -12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 75.166 -14.345 -11.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 76.032 -13.620 -13.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.660 -13.599 -11.641 1.00 0.00 H new ATOM 783 N GLU A 49 80.888 -9.324 -10.638 1.00 0.00 N ATOM 784 CA GLU A 49 82.155 -9.939 -10.237 1.00 0.00 C ATOM 785 C GLU A 49 82.799 -9.213 -9.051 1.00 0.00 C ATOM 786 O GLU A 49 83.411 -9.847 -8.189 1.00 0.00 O ATOM 787 CB GLU A 49 83.127 -9.967 -11.419 1.00 0.00 C ATOM 788 CG GLU A 49 83.088 -11.266 -12.210 1.00 0.00 C ATOM 789 CD GLU A 49 83.475 -11.080 -13.665 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.596 -10.594 -13.925 1.00 0.00 O ATOM 791 OE2 GLU A 49 82.659 -11.427 -14.545 1.00 0.00 O ATOM 0 H GLU A 49 80.944 -8.756 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 49 81.934 -10.958 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.897 -9.137 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.140 -9.807 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.763 -11.987 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.085 -11.689 -12.157 1.00 0.00 H new ATOM 798 N SER A 50 82.659 -7.887 -8.998 1.00 0.00 N ATOM 799 CA SER A 50 83.250 -7.102 -7.911 1.00 0.00 C ATOM 800 C SER A 50 82.523 -7.341 -6.587 1.00 0.00 C ATOM 801 O SER A 50 83.154 -7.510 -5.546 1.00 0.00 O ATOM 802 CB SER A 50 83.246 -5.609 -8.239 1.00 0.00 C ATOM 803 OG SER A 50 84.288 -4.934 -7.551 1.00 0.00 O ATOM 0 H SER A 50 82.147 -7.338 -9.688 1.00 0.00 H new ATOM 0 HA SER A 50 84.282 -7.435 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 50 83.364 -5.469 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.284 -5.175 -7.965 1.00 0.00 H new ATOM 0 HG SER A 50 84.906 -5.591 -7.168 1.00 0.00 H new ATOM 809 N TYR A 51 81.195 -7.343 -6.635 1.00 0.00 N ATOM 810 CA TYR A 51 80.382 -7.579 -5.432 1.00 0.00 C ATOM 811 C TYR A 51 80.723 -8.932 -4.777 1.00 0.00 C ATOM 812 O TYR A 51 80.785 -9.041 -3.551 1.00 0.00 O ATOM 813 CB TYR A 51 78.875 -7.528 -5.769 1.00 0.00 C ATOM 814 CG TYR A 51 78.037 -8.491 -4.955 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.652 -8.177 -3.661 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.656 -9.723 -5.473 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.914 -9.060 -2.903 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.912 -10.611 -4.722 1.00 0.00 C ATOM 819 CZ TYR A 51 76.545 -10.275 -3.436 1.00 0.00 C ATOM 820 OH TYR A 51 75.814 -11.158 -2.673 1.00 0.00 O ATOM 0 H TYR A 51 80.655 -7.185 -7.486 1.00 0.00 H new ATOM 0 HA TYR A 51 80.616 -6.785 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.509 -6.514 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.741 -7.749 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.935 -7.224 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.946 -9.990 -6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.626 -8.800 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.619 -11.563 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 51 76.230 -11.250 -1.791 1.00 0.00 H new ATOM 830 N CYS A 52 80.966 -9.945 -5.606 1.00 0.00 N ATOM 831 CA CYS A 52 81.265 -11.299 -5.113 1.00 0.00 C ATOM 832 C CYS A 52 82.599 -11.370 -4.367 1.00 0.00 C ATOM 833 O CYS A 52 82.708 -12.044 -3.340 1.00 0.00 O ATOM 834 CB CYS A 52 81.269 -12.317 -6.262 1.00 0.00 C ATOM 835 SG CYS A 52 81.066 -14.028 -5.726 1.00 0.00 S ATOM 0 H CYS A 52 80.963 -9.860 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 52 80.471 -11.548 -4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 52 80.468 -12.067 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 52 82.207 -12.227 -6.810 1.00 0.00 H new ATOM 0 HG CYS A 52 82.123 -14.405 -5.070 1.00 0.00 H new ATOM 841 N GLN A 53 83.614 -10.668 -4.880 1.00 0.00 N ATOM 842 CA GLN A 53 84.940 -10.667 -4.255 1.00 0.00 C ATOM 843 C GLN A 53 84.921 -9.985 -2.879 1.00 0.00 C ATOM 844 O GLN A 53 85.823 -10.189 -2.065 1.00 0.00 O ATOM 845 CB GLN A 53 85.964 -9.987 -5.175 1.00 0.00 C ATOM 846 CG GLN A 53 86.014 -8.474 -5.029 1.00 0.00 C ATOM 847 CD GLN A 53 86.609 -7.778 -6.242 1.00 0.00 C ATOM 848 OE1 GLN A 53 86.110 -6.746 -6.690 1.00 0.00 O ATOM 849 NE2 GLN A 53 87.686 -8.331 -6.778 1.00 0.00 N ATOM 0 H GLN A 53 83.544 -10.096 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 53 85.233 -11.706 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.953 -10.395 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.729 -10.235 -6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.005 -8.098 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.601 -8.219 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 53 88.072 -9.187 -6.379 1.00 0.00 H new ATOM 0 HE22 GLN A 53 88.130 -7.901 -7.589 1.00 0.00 H new ATOM 858 N ARG A 54 83.889 -9.181 -2.622 1.00 0.00 N ATOM 859 CA ARG A 54 83.755 -8.483 -1.345 1.00 0.00 C ATOM 860 C ARG A 54 83.198 -9.419 -0.269 1.00 0.00 C ATOM 861 O ARG A 54 83.498 -9.269 0.916 1.00 0.00 O ATOM 862 CB ARG A 54 82.844 -7.263 -1.500 1.00 0.00 C ATOM 863 CG ARG A 54 83.485 -5.959 -1.054 1.00 0.00 C ATOM 864 CD ARG A 54 84.031 -5.172 -2.234 1.00 0.00 C ATOM 865 NE ARG A 54 84.857 -4.046 -1.805 1.00 0.00 N ATOM 866 CZ ARG A 54 85.571 -3.298 -2.631 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.568 -3.539 -3.919 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.287 -2.305 -2.166 1.00 0.00 N ATOM 0 H ARG A 54 83.134 -8.997 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 54 84.745 -8.150 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.548 -7.173 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 54 81.933 -7.425 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.750 -5.355 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.292 -6.171 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.621 -5.833 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.202 -4.804 -2.839 1.00 0.00 H new ATOM 0 HE ARG A 54 84.885 -3.823 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.012 -4.308 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.121 -2.957 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.295 -2.107 -1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.837 -1.730 -2.804 1.00 0.00 H new ATOM 882 N GLN A 55 82.379 -10.380 -0.692 1.00 0.00 N ATOM 883 CA GLN A 55 81.780 -11.347 0.232 1.00 0.00 C ATOM 884 C GLN A 55 82.729 -12.519 0.525 1.00 0.00 C ATOM 885 O GLN A 55 82.922 -12.891 1.683 1.00 0.00 O ATOM 886 CB GLN A 55 80.450 -11.879 -0.318 1.00 0.00 C ATOM 887 CG GLN A 55 79.558 -10.805 -0.922 1.00 0.00 C ATOM 888 CD GLN A 55 78.314 -10.541 -0.098 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.266 -11.150 -0.316 1.00 0.00 O ATOM 890 NE2 GLN A 55 78.415 -9.625 0.852 1.00 0.00 N ATOM 0 H GLN A 55 82.114 -10.512 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 55 81.593 -10.820 1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.658 -12.634 -1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 55 79.909 -12.377 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.126 -9.880 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.265 -11.106 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 55 79.301 -9.142 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.607 -9.402 1.434 1.00 0.00 H new ATOM 899 N GLY A 56 83.314 -13.103 -0.522 1.00 0.00 N ATOM 900 CA GLY A 56 84.226 -14.222 -0.336 1.00 0.00 C ATOM 901 C GLY A 56 83.569 -15.570 -0.590 1.00 0.00 C ATOM 902 O GLY A 56 83.856 -16.550 0.095 1.00 0.00 O ATOM 0 H GLY A 56 83.173 -12.822 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.077 -14.106 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.617 -14.200 0.681 1.00 0.00 H new ATOM 906 N VAL A 57 82.688 -15.615 -1.584 1.00 0.00 N ATOM 907 CA VAL A 57 81.976 -16.844 -1.935 1.00 0.00 C ATOM 908 C VAL A 57 82.100 -17.136 -3.435 1.00 0.00 C ATOM 909 O VAL A 57 82.478 -16.256 -4.206 1.00 0.00 O ATOM 910 CB VAL A 57 80.475 -16.752 -1.564 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.255 -17.144 -0.110 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.931 -15.353 -1.829 1.00 0.00 C ATOM 0 H VAL A 57 82.447 -14.812 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 57 82.434 -17.653 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 57 79.930 -17.453 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.194 -17.072 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.594 -18.168 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.819 -16.473 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.875 -15.316 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.483 -14.628 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.045 -15.113 -2.886 1.00 0.00 H new ATOM 922 N PRO A 58 81.820 -18.386 -3.866 1.00 0.00 N ATOM 923 CA PRO A 58 81.884 -18.762 -5.287 1.00 0.00 C ATOM 924 C PRO A 58 80.932 -17.931 -6.153 1.00 0.00 C ATOM 925 O PRO A 58 79.798 -17.654 -5.758 1.00 0.00 O ATOM 926 CB PRO A 58 81.467 -20.240 -5.298 1.00 0.00 C ATOM 927 CG PRO A 58 80.812 -20.479 -3.979 1.00 0.00 C ATOM 928 CD PRO A 58 81.460 -19.531 -3.013 1.00 0.00 C ATOM 0 HA PRO A 58 82.876 -18.588 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.782 -20.448 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.331 -20.891 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.738 -20.300 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 58 80.946 -21.512 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.778 -19.240 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.337 -19.973 -2.540 1.00 0.00 H new ATOM 936 N MET A 59 81.399 -17.549 -7.340 1.00 0.00 N ATOM 937 CA MET A 59 80.605 -16.733 -8.263 1.00 0.00 C ATOM 938 C MET A 59 79.377 -17.479 -8.785 1.00 0.00 C ATOM 939 O MET A 59 78.292 -16.909 -8.895 1.00 0.00 O ATOM 940 CB MET A 59 81.471 -16.276 -9.438 1.00 0.00 C ATOM 941 CG MET A 59 81.761 -14.783 -9.440 1.00 0.00 C ATOM 942 SD MET A 59 80.269 -13.783 -9.613 1.00 0.00 S ATOM 943 CE MET A 59 79.935 -13.963 -11.362 1.00 0.00 C ATOM 0 H MET A 59 82.327 -17.791 -7.688 1.00 0.00 H new ATOM 0 HA MET A 59 80.251 -15.866 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 59 82.415 -16.820 -9.415 1.00 0.00 H new ATOM 0 HB3 MET A 59 80.972 -16.541 -10.370 1.00 0.00 H new ATOM 0 HG2 MET A 59 82.268 -14.514 -8.513 1.00 0.00 H new ATOM 0 HG3 MET A 59 82.445 -14.551 -10.256 1.00 0.00 H new ATOM 0 HE1 MET A 59 79.812 -12.978 -11.812 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.767 -14.479 -11.840 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.022 -14.542 -11.500 1.00 0.00 H new ATOM 953 N ASN A 60 79.546 -18.763 -9.093 1.00 0.00 N ATOM 954 CA ASN A 60 78.449 -19.586 -9.613 1.00 0.00 C ATOM 955 C ASN A 60 77.527 -20.089 -8.491 1.00 0.00 C ATOM 956 O ASN A 60 77.061 -21.226 -8.523 1.00 0.00 O ATOM 957 CB ASN A 60 79.011 -20.778 -10.397 1.00 0.00 C ATOM 958 CG ASN A 60 80.351 -20.478 -11.045 1.00 0.00 C ATOM 959 OD1 ASN A 60 81.386 -20.456 -10.383 1.00 0.00 O ATOM 960 ND2 ASN A 60 80.341 -20.245 -12.347 1.00 0.00 N ATOM 0 H ASN A 60 80.432 -19.259 -8.992 1.00 0.00 H new ATOM 0 HA ASN A 60 77.854 -18.958 -10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.120 -21.630 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.297 -21.069 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 60 81.213 -20.038 -12.835 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.462 -20.272 -12.863 1.00 0.00 H new ATOM 967 N SER A 61 77.271 -19.235 -7.504 1.00 0.00 N ATOM 968 CA SER A 61 76.407 -19.595 -6.378 1.00 0.00 C ATOM 969 C SER A 61 75.281 -18.580 -6.175 1.00 0.00 C ATOM 970 O SER A 61 74.275 -18.882 -5.531 1.00 0.00 O ATOM 971 CB SER A 61 77.229 -19.716 -5.094 1.00 0.00 C ATOM 972 OG SER A 61 77.584 -18.440 -4.588 1.00 0.00 O ATOM 0 H SER A 61 77.648 -18.288 -7.459 1.00 0.00 H new ATOM 0 HA SER A 61 75.953 -20.558 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 61 76.657 -20.261 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.131 -20.296 -5.290 1.00 0.00 H new ATOM 0 HG SER A 61 78.503 -18.227 -4.853 1.00 0.00 H new ATOM 978 N LEU A 62 75.444 -17.379 -6.726 1.00 0.00 N ATOM 979 CA LEU A 62 74.434 -16.332 -6.576 1.00 0.00 C ATOM 980 C LEU A 62 74.021 -15.737 -7.925 1.00 0.00 C ATOM 981 O LEU A 62 74.790 -15.749 -8.887 1.00 0.00 O ATOM 982 CB LEU A 62 74.940 -15.222 -5.646 1.00 0.00 C ATOM 983 CG LEU A 62 76.458 -14.999 -5.642 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.851 -13.940 -6.661 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.929 -14.599 -4.252 1.00 0.00 C ATOM 0 H LEU A 62 76.259 -17.107 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 62 73.553 -16.797 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.455 -14.288 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.622 -15.452 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 62 76.943 -15.935 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.932 -13.799 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.546 -14.262 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.357 -12.999 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.008 -14.444 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.433 -13.676 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.684 -15.390 -3.543 1.00 0.00 H new ATOM 997 N ARG A 63 72.799 -15.217 -7.980 1.00 0.00 N ATOM 998 CA ARG A 63 72.271 -14.615 -9.203 1.00 0.00 C ATOM 999 C ARG A 63 71.776 -13.186 -8.956 1.00 0.00 C ATOM 1000 O ARG A 63 71.336 -12.848 -7.855 1.00 0.00 O ATOM 1001 CB ARG A 63 71.131 -15.469 -9.772 1.00 0.00 C ATOM 1002 CG ARG A 63 70.029 -15.776 -8.769 1.00 0.00 C ATOM 1003 CD ARG A 63 69.099 -16.868 -9.274 1.00 0.00 C ATOM 1004 NE ARG A 63 68.057 -16.339 -10.152 1.00 0.00 N ATOM 1005 CZ ARG A 63 67.943 -16.644 -11.437 1.00 0.00 C ATOM 1006 NH1 ARG A 63 68.788 -17.468 -12.009 1.00 0.00 N ATOM 1007 NH2 ARG A 63 66.978 -16.126 -12.152 1.00 0.00 N ATOM 0 H ARG A 63 72.153 -15.200 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 63 73.085 -14.573 -9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.696 -14.953 -10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.543 -16.408 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.473 -16.085 -7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.454 -14.871 -8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.679 -17.618 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.636 -17.371 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 63 67.375 -15.695 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 63 69.544 -17.883 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 63 68.689 -17.694 -12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 63 66.311 -15.486 -11.721 1.00 0.00 H new ATOM 0 HH22 ARG A 63 66.892 -16.362 -13.141 1.00 0.00 H new ATOM 1021 N LEU A 64 71.850 -12.355 -9.993 1.00 0.00 N ATOM 1022 CA LEU A 64 71.407 -10.962 -9.904 1.00 0.00 C ATOM 1023 C LEU A 64 70.048 -10.795 -10.589 1.00 0.00 C ATOM 1024 O LEU A 64 69.919 -11.011 -11.796 1.00 0.00 O ATOM 1025 CB LEU A 64 72.444 -10.021 -10.544 1.00 0.00 C ATOM 1026 CG LEU A 64 73.291 -9.204 -9.558 1.00 0.00 C ATOM 1027 CD1 LEU A 64 72.407 -8.360 -8.658 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.179 -10.116 -8.729 1.00 0.00 C ATOM 0 H LEU A 64 72.213 -12.621 -10.908 1.00 0.00 H new ATOM 0 HA LEU A 64 71.306 -10.699 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.114 -10.615 -11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 71.922 -9.331 -11.207 1.00 0.00 H new ATOM 0 HG LEU A 64 73.929 -8.534 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 64 73.029 -7.790 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 64 71.818 -7.674 -9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 64 71.739 -9.009 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.771 -9.517 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 64 73.559 -10.814 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 64 74.845 -10.673 -9.388 1.00 0.00 H new ATOM 1040 N LEU A 65 69.033 -10.411 -9.816 1.00 0.00 N ATOM 1041 CA LEU A 65 67.686 -10.242 -10.370 1.00 0.00 C ATOM 1042 C LEU A 65 66.961 -9.021 -9.795 1.00 0.00 C ATOM 1043 O LEU A 65 67.291 -8.527 -8.714 1.00 0.00 O ATOM 1044 CB LEU A 65 66.854 -11.547 -10.207 1.00 0.00 C ATOM 1045 CG LEU A 65 66.185 -11.852 -8.841 1.00 0.00 C ATOM 1046 CD1 LEU A 65 67.086 -11.526 -7.659 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.848 -11.135 -8.711 1.00 0.00 C ATOM 0 H LEU A 65 69.113 -10.213 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 65 67.797 -10.047 -11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.067 -11.531 -10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.508 -12.385 -10.446 1.00 0.00 H new ATOM 0 HG LEU A 65 66.008 -12.927 -8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.566 -11.759 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.999 -12.119 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.340 -10.466 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.403 -11.368 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.003 -10.059 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.180 -11.464 -9.507 1.00 0.00 H new ATOM 1059 N PHE A 66 65.977 -8.527 -10.546 1.00 0.00 N ATOM 1060 CA PHE A 66 65.190 -7.368 -10.126 1.00 0.00 C ATOM 1061 C PHE A 66 63.731 -7.513 -10.565 1.00 0.00 C ATOM 1062 O PHE A 66 63.448 -7.671 -11.753 1.00 0.00 O ATOM 1063 CB PHE A 66 65.788 -6.078 -10.701 1.00 0.00 C ATOM 1064 CG PHE A 66 65.061 -4.828 -10.280 1.00 0.00 C ATOM 1065 CD1 PHE A 66 64.976 -4.474 -8.943 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.462 -4.012 -11.225 1.00 0.00 C ATOM 1067 CE1 PHE A 66 64.307 -3.328 -8.556 1.00 0.00 C ATOM 1068 CE2 PHE A 66 63.793 -2.864 -10.845 1.00 0.00 C ATOM 1069 CZ PHE A 66 63.714 -2.522 -9.510 1.00 0.00 C ATOM 0 H PHE A 66 65.705 -8.913 -11.450 1.00 0.00 H new ATOM 0 HA PHE A 66 65.219 -7.315 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 66 66.830 -6.002 -10.391 1.00 0.00 H new ATOM 0 HB3 PHE A 66 65.783 -6.140 -11.789 1.00 0.00 H new ATOM 0 HD1 PHE A 66 65.438 -5.101 -8.195 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.518 -4.276 -12.271 1.00 0.00 H new ATOM 0 HE1 PHE A 66 64.248 -3.063 -7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.332 -2.235 -11.592 1.00 0.00 H new ATOM 0 HZ PHE A 66 63.190 -1.626 -9.211 1.00 0.00 H new ATOM 1079 N GLU A 67 62.823 -7.469 -9.582 1.00 0.00 N ATOM 1080 CA GLU A 67 61.366 -7.582 -9.801 1.00 0.00 C ATOM 1081 C GLU A 67 60.967 -8.804 -10.656 1.00 0.00 C ATOM 1082 O GLU A 67 59.927 -8.801 -11.317 1.00 0.00 O ATOM 1083 CB GLU A 67 60.793 -6.270 -10.385 1.00 0.00 C ATOM 1084 CG GLU A 67 60.940 -6.104 -11.895 1.00 0.00 C ATOM 1085 CD GLU A 67 59.618 -5.820 -12.589 1.00 0.00 C ATOM 1086 OE1 GLU A 67 58.728 -5.219 -11.948 1.00 0.00 O ATOM 1087 OE2 GLU A 67 59.477 -6.190 -13.772 1.00 0.00 O ATOM 0 H GLU A 67 63.076 -7.353 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 67 60.919 -7.749 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 67 59.734 -6.212 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.284 -5.429 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 67 61.635 -5.290 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.378 -7.010 -12.314 1.00 0.00 H new ATOM 1094 N GLY A 68 61.780 -9.858 -10.610 1.00 0.00 N ATOM 1095 CA GLY A 68 61.479 -11.064 -11.370 1.00 0.00 C ATOM 1096 C GLY A 68 62.288 -11.212 -12.652 1.00 0.00 C ATOM 1097 O GLY A 68 62.304 -12.285 -13.254 1.00 0.00 O ATOM 0 H GLY A 68 62.639 -9.900 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.659 -11.933 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.418 -11.067 -11.621 1.00 0.00 H new ATOM 1101 N GLN A 69 62.963 -10.147 -13.077 1.00 0.00 N ATOM 1102 CA GLN A 69 63.764 -10.197 -14.301 1.00 0.00 C ATOM 1103 C GLN A 69 65.214 -10.594 -14.001 1.00 0.00 C ATOM 1104 O GLN A 69 65.776 -10.217 -12.970 1.00 0.00 O ATOM 1105 CB GLN A 69 63.695 -8.849 -15.041 1.00 0.00 C ATOM 1106 CG GLN A 69 64.929 -7.972 -14.886 1.00 0.00 C ATOM 1107 CD GLN A 69 64.613 -6.493 -15.011 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.974 -5.851 -15.993 1.00 0.00 O ATOM 1109 NE2 GLN A 69 63.938 -5.945 -14.014 1.00 0.00 N ATOM 0 H GLN A 69 62.973 -9.246 -12.599 1.00 0.00 H new ATOM 0 HA GLN A 69 63.346 -10.965 -14.952 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.534 -9.041 -16.102 1.00 0.00 H new ATOM 0 HB3 GLN A 69 62.827 -8.297 -14.681 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.385 -8.161 -13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.664 -8.248 -15.642 1.00 0.00 H new ATOM 0 HE21 GLN A 69 63.656 -6.514 -13.215 1.00 0.00 H new ATOM 0 HE22 GLN A 69 63.699 -4.954 -14.044 1.00 0.00 H new ATOM 1118 N ARG A 70 65.809 -11.365 -14.911 1.00 0.00 N ATOM 1119 CA ARG A 70 67.191 -11.827 -14.760 1.00 0.00 C ATOM 1120 C ARG A 70 68.177 -10.837 -15.386 1.00 0.00 C ATOM 1121 O ARG A 70 68.071 -10.506 -16.569 1.00 0.00 O ATOM 1122 CB ARG A 70 67.351 -13.203 -15.415 1.00 0.00 C ATOM 1123 CG ARG A 70 68.381 -14.095 -14.737 1.00 0.00 C ATOM 1124 CD ARG A 70 68.650 -15.353 -15.547 1.00 0.00 C ATOM 1125 NE ARG A 70 67.581 -16.340 -15.403 1.00 0.00 N ATOM 1126 CZ ARG A 70 67.783 -17.621 -15.134 1.00 0.00 C ATOM 1127 NH1 ARG A 70 68.998 -18.086 -14.971 1.00 0.00 N ATOM 1128 NH2 ARG A 70 66.767 -18.438 -15.026 1.00 0.00 N ATOM 0 H ARG A 70 65.353 -11.685 -15.766 1.00 0.00 H new ATOM 0 HA ARG A 70 67.412 -11.900 -13.695 1.00 0.00 H new ATOM 0 HB2 ARG A 70 66.386 -13.711 -15.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.634 -13.067 -16.459 1.00 0.00 H new ATOM 0 HG2 ARG A 70 69.311 -13.542 -14.603 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.028 -14.370 -13.743 1.00 0.00 H new ATOM 0 HD2 ARG A 70 68.760 -15.089 -16.599 1.00 0.00 H new ATOM 0 HD3 ARG A 70 69.595 -15.794 -15.228 1.00 0.00 H new ATOM 0 HE ARG A 70 66.619 -16.022 -15.517 1.00 0.00 H new ATOM 0 HH11 ARG A 70 69.799 -17.459 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 70 69.142 -19.074 -14.764 1.00 0.00 H new ATOM 0 HH21 ARG A 70 65.817 -18.089 -15.149 1.00 0.00 H new ATOM 0 HH22 ARG A 70 66.925 -19.424 -14.819 1.00 0.00 H new ATOM 1142 N ILE A 71 69.140 -10.372 -14.595 1.00 0.00 N ATOM 1143 CA ILE A 71 70.139 -9.423 -15.088 1.00 0.00 C ATOM 1144 C ILE A 71 71.485 -10.111 -15.328 1.00 0.00 C ATOM 1145 O ILE A 71 72.165 -10.531 -14.391 1.00 0.00 O ATOM 1146 CB ILE A 71 70.323 -8.232 -14.115 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.116 -7.291 -14.182 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.594 -7.458 -14.431 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.161 -7.446 -13.025 1.00 0.00 C ATOM 0 H ILE A 71 69.251 -10.634 -13.615 1.00 0.00 H new ATOM 0 HA ILE A 71 69.768 -9.037 -16.037 1.00 0.00 H new ATOM 0 HB ILE A 71 70.405 -8.638 -13.107 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.471 -6.261 -14.213 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.578 -7.471 -15.113 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.698 -6.628 -13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.455 -8.120 -14.339 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.541 -7.071 -15.449 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.332 -6.748 -13.141 1.00 0.00 H new ATOM 0 HD12 ILE A 71 67.776 -8.466 -13.005 1.00 0.00 H new ATOM 0 HD13 ILE A 71 68.683 -7.237 -12.091 1.00 0.00 H new ATOM 1161 N ALA A 72 71.850 -10.241 -16.600 1.00 0.00 N ATOM 1162 CA ALA A 72 73.115 -10.862 -16.977 1.00 0.00 C ATOM 1163 C ALA A 72 74.250 -9.832 -17.051 1.00 0.00 C ATOM 1164 O ALA A 72 74.016 -8.624 -17.005 1.00 0.00 O ATOM 1165 CB ALA A 72 72.967 -11.586 -18.306 1.00 0.00 C ATOM 0 H ALA A 72 71.286 -9.924 -17.388 1.00 0.00 H new ATOM 0 HA ALA A 72 73.377 -11.585 -16.204 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.917 -12.046 -18.578 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.203 -12.358 -18.217 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.675 -10.874 -19.078 1.00 0.00 H new ATOM 1171 N ASP A 73 75.475 -10.329 -17.196 1.00 0.00 N ATOM 1172 CA ASP A 73 76.674 -9.492 -17.267 1.00 0.00 C ATOM 1173 C ASP A 73 76.689 -8.572 -18.499 1.00 0.00 C ATOM 1174 O ASP A 73 77.403 -7.570 -18.521 1.00 0.00 O ATOM 1175 CB ASP A 73 77.924 -10.382 -17.264 1.00 0.00 C ATOM 1176 CG ASP A 73 77.848 -11.508 -18.281 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.129 -12.496 -18.019 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.496 -11.395 -19.341 1.00 0.00 O ATOM 0 H ASP A 73 75.667 -11.328 -17.268 1.00 0.00 H new ATOM 0 HA ASP A 73 76.668 -8.845 -16.390 1.00 0.00 H new ATOM 0 HB2 ASP A 73 78.801 -9.769 -17.472 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.060 -10.806 -16.269 1.00 0.00 H new ATOM 1183 N ASN A 74 75.900 -8.912 -19.518 1.00 0.00 N ATOM 1184 CA ASN A 74 75.841 -8.110 -20.742 1.00 0.00 C ATOM 1185 C ASN A 74 74.786 -7.002 -20.650 1.00 0.00 C ATOM 1186 O ASN A 74 74.597 -6.236 -21.597 1.00 0.00 O ATOM 1187 CB ASN A 74 75.551 -9.003 -21.955 1.00 0.00 C ATOM 1188 CG ASN A 74 74.540 -10.096 -21.657 1.00 0.00 C ATOM 1189 OD1 ASN A 74 73.461 -9.836 -21.127 1.00 0.00 O ATOM 1190 ND2 ASN A 74 74.881 -11.328 -21.993 1.00 0.00 N ATOM 0 H ASN A 74 75.295 -9.733 -19.522 1.00 0.00 H new ATOM 0 HA ASN A 74 76.815 -7.637 -20.864 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.180 -8.386 -22.774 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.481 -9.458 -22.295 1.00 0.00 H new ATOM 0 HD21 ASN A 74 74.240 -12.101 -21.814 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.785 -11.505 -22.431 1.00 0.00 H new ATOM 1197 N HIS A 75 74.110 -6.911 -19.510 1.00 0.00 N ATOM 1198 CA HIS A 75 73.078 -5.896 -19.310 1.00 0.00 C ATOM 1199 C HIS A 75 73.641 -4.642 -18.646 1.00 0.00 C ATOM 1200 O HIS A 75 74.672 -4.685 -17.972 1.00 0.00 O ATOM 1201 CB HIS A 75 71.938 -6.450 -18.456 1.00 0.00 C ATOM 1202 CG HIS A 75 71.034 -7.400 -19.183 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.333 -8.406 -18.553 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.707 -7.488 -20.496 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.619 -9.073 -19.441 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.826 -8.535 -20.629 1.00 0.00 N ATOM 0 H HIS A 75 74.257 -7.526 -18.710 1.00 0.00 H new ATOM 0 HA HIS A 75 72.699 -5.625 -20.296 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.361 -6.959 -17.590 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.344 -5.618 -18.078 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.071 -6.853 -21.290 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.976 -9.915 -19.232 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.401 -8.846 -21.503 1.00 0.00 H new ATOM 1214 N THR A 76 72.954 -3.522 -18.857 1.00 0.00 N ATOM 1215 CA THR A 76 73.347 -2.244 -18.272 1.00 0.00 C ATOM 1216 C THR A 76 72.104 -1.447 -17.866 1.00 0.00 C ATOM 1217 O THR A 76 71.085 -1.490 -18.560 1.00 0.00 O ATOM 1218 CB THR A 76 74.206 -1.386 -19.241 1.00 0.00 C ATOM 1219 OG1 THR A 76 73.769 -0.020 -19.214 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.131 -1.908 -20.671 1.00 0.00 C ATOM 0 H THR A 76 72.115 -3.475 -19.435 1.00 0.00 H new ATOM 0 HA THR A 76 73.956 -2.471 -17.397 1.00 0.00 H new ATOM 0 HB THR A 76 75.240 -1.452 -18.904 1.00 0.00 H new ATOM 0 HG1 THR A 76 74.460 0.536 -18.797 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.744 -1.282 -21.319 1.00 0.00 H new ATOM 0 HG22 THR A 76 74.498 -2.934 -20.704 1.00 0.00 H new ATOM 0 HG23 THR A 76 73.097 -1.882 -21.014 1.00 0.00 H new ATOM 1228 N PRO A 77 72.163 -0.723 -16.727 1.00 0.00 N ATOM 1229 CA PRO A 77 71.032 0.084 -16.237 1.00 0.00 C ATOM 1230 C PRO A 77 70.548 1.124 -17.253 1.00 0.00 C ATOM 1231 O PRO A 77 69.370 1.482 -17.267 1.00 0.00 O ATOM 1232 CB PRO A 77 71.590 0.780 -14.995 1.00 0.00 C ATOM 1233 CG PRO A 77 72.743 -0.061 -14.566 1.00 0.00 C ATOM 1234 CD PRO A 77 73.324 -0.646 -15.823 1.00 0.00 C ATOM 0 HA PRO A 77 70.161 -0.541 -16.041 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.907 1.798 -15.222 1.00 0.00 H new ATOM 0 HB3 PRO A 77 70.838 0.848 -14.209 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.485 0.536 -14.035 1.00 0.00 H new ATOM 0 HG3 PRO A 77 72.419 -0.847 -13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.113 -0.015 -16.233 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.762 -1.628 -15.645 1.00 0.00 H new ATOM 1242 N LYS A 78 71.461 1.601 -18.100 1.00 0.00 N ATOM 1243 CA LYS A 78 71.119 2.590 -19.127 1.00 0.00 C ATOM 1244 C LYS A 78 70.250 1.955 -20.221 1.00 0.00 C ATOM 1245 O LYS A 78 69.368 2.604 -20.787 1.00 0.00 O ATOM 1246 CB LYS A 78 72.401 3.202 -19.720 1.00 0.00 C ATOM 1247 CG LYS A 78 72.473 3.188 -21.245 1.00 0.00 C ATOM 1248 CD LYS A 78 72.120 4.543 -21.836 1.00 0.00 C ATOM 1249 CE LYS A 78 71.322 4.397 -23.122 1.00 0.00 C ATOM 1250 NZ LYS A 78 69.857 4.333 -22.862 1.00 0.00 N ATOM 0 H LYS A 78 72.442 1.320 -18.097 1.00 0.00 H new ATOM 0 HA LYS A 78 70.540 3.390 -18.666 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.487 4.233 -19.376 1.00 0.00 H new ATOM 0 HB3 LYS A 78 73.261 2.661 -19.325 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.477 2.904 -21.559 1.00 0.00 H new ATOM 0 HG3 LYS A 78 71.791 2.432 -21.635 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.543 5.118 -21.112 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.033 5.104 -22.034 1.00 0.00 H new ATOM 0 HE2 LYS A 78 71.537 5.238 -23.780 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.638 3.494 -23.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 69.388 3.829 -23.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 69.685 3.828 -21.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 69.474 5.298 -22.793 1.00 0.00 H new ATOM 1264 N GLU A 79 70.503 0.677 -20.504 1.00 0.00 N ATOM 1265 CA GLU A 79 69.742 -0.050 -21.515 1.00 0.00 C ATOM 1266 C GLU A 79 68.428 -0.572 -20.930 1.00 0.00 C ATOM 1267 O GLU A 79 67.395 -0.559 -21.596 1.00 0.00 O ATOM 1268 CB GLU A 79 70.569 -1.214 -22.068 1.00 0.00 C ATOM 1269 CG GLU A 79 70.403 -1.423 -23.566 1.00 0.00 C ATOM 1270 CD GLU A 79 70.657 -2.857 -23.991 1.00 0.00 C ATOM 1271 OE1 GLU A 79 70.429 -3.772 -23.168 1.00 0.00 O ATOM 1272 OE2 GLU A 79 71.086 -3.068 -25.144 1.00 0.00 O ATOM 0 H GLU A 79 71.229 0.126 -20.046 1.00 0.00 H new ATOM 0 HA GLU A 79 69.511 0.637 -22.329 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.622 -1.037 -21.849 1.00 0.00 H new ATOM 0 HB3 GLU A 79 70.285 -2.129 -21.548 1.00 0.00 H new ATOM 0 HG2 GLU A 79 69.393 -1.136 -23.859 1.00 0.00 H new ATOM 0 HG3 GLU A 79 71.089 -0.764 -24.098 1.00 0.00 H new ATOM 1279 N LEU A 80 68.482 -1.033 -19.681 1.00 0.00 N ATOM 1280 CA LEU A 80 67.291 -1.543 -18.995 1.00 0.00 C ATOM 1281 C LEU A 80 66.339 -0.408 -18.581 1.00 0.00 C ATOM 1282 O LEU A 80 65.160 -0.649 -18.322 1.00 0.00 O ATOM 1283 CB LEU A 80 67.693 -2.354 -17.755 1.00 0.00 C ATOM 1284 CG LEU A 80 68.395 -3.687 -18.034 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.758 -4.381 -16.729 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.512 -4.590 -18.887 1.00 0.00 C ATOM 0 H LEU A 80 69.335 -1.065 -19.123 1.00 0.00 H new ATOM 0 HA LEU A 80 66.765 -2.188 -19.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.350 -1.740 -17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.797 -2.552 -17.166 1.00 0.00 H new ATOM 0 HG LEU A 80 69.313 -3.482 -18.585 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.256 -5.326 -16.946 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.427 -3.743 -16.151 1.00 0.00 H new ATOM 0 HD13 LEU A 80 67.852 -4.572 -16.154 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.028 -5.532 -19.074 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.577 -4.787 -18.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.298 -4.098 -19.836 1.00 0.00 H new ATOM 1298 N GLY A 81 66.852 0.827 -18.514 1.00 0.00 N ATOM 1299 CA GLY A 81 66.029 1.962 -18.126 1.00 0.00 C ATOM 1300 C GLY A 81 65.785 2.018 -16.629 1.00 0.00 C ATOM 1301 O GLY A 81 64.670 2.294 -16.184 1.00 0.00 O ATOM 0 H GLY A 81 67.824 1.057 -18.722 1.00 0.00 H new ATOM 0 HA2 GLY A 81 66.513 2.884 -18.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 65.072 1.907 -18.645 1.00 0.00 H new ATOM 1305 N MET A 82 66.829 1.762 -15.846 1.00 0.00 N ATOM 1306 CA MET A 82 66.704 1.771 -14.390 1.00 0.00 C ATOM 1307 C MET A 82 67.361 3.003 -13.761 1.00 0.00 C ATOM 1308 O MET A 82 68.578 3.179 -13.826 1.00 0.00 O ATOM 1309 CB MET A 82 67.324 0.500 -13.807 1.00 0.00 C ATOM 1310 CG MET A 82 66.554 -0.768 -14.136 1.00 0.00 C ATOM 1311 SD MET A 82 66.992 -2.146 -13.057 1.00 0.00 S ATOM 1312 CE MET A 82 68.757 -2.260 -13.340 1.00 0.00 C ATOM 0 H MET A 82 67.765 1.547 -16.191 1.00 0.00 H new ATOM 0 HA MET A 82 65.641 1.809 -14.154 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.344 0.401 -14.180 1.00 0.00 H new ATOM 0 HB3 MET A 82 67.389 0.603 -12.724 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.485 -0.571 -14.052 1.00 0.00 H new ATOM 0 HG3 MET A 82 66.747 -1.047 -15.172 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.138 -3.181 -12.899 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.954 -2.263 -14.412 1.00 0.00 H new ATOM 0 HE3 MET A 82 69.255 -1.405 -12.882 1.00 0.00 H new ATOM 1322 N GLU A 83 66.538 3.847 -13.147 1.00 0.00 N ATOM 1323 CA GLU A 83 67.012 5.062 -12.474 1.00 0.00 C ATOM 1324 C GLU A 83 66.352 5.191 -11.104 1.00 0.00 C ATOM 1325 O GLU A 83 65.146 4.967 -10.984 1.00 0.00 O ATOM 1326 CB GLU A 83 66.736 6.312 -13.314 1.00 0.00 C ATOM 1327 CG GLU A 83 67.452 6.300 -14.652 1.00 0.00 C ATOM 1328 CD GLU A 83 66.537 6.637 -15.814 1.00 0.00 C ATOM 1329 OE1 GLU A 83 66.119 7.809 -15.923 1.00 0.00 O ATOM 1330 OE2 GLU A 83 66.238 5.728 -16.617 1.00 0.00 O ATOM 0 H GLU A 83 65.528 3.714 -13.099 1.00 0.00 H new ATOM 0 HA GLU A 83 68.091 4.978 -12.348 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.663 6.399 -13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 83 67.042 7.195 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 83 68.275 7.015 -14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.890 5.315 -14.815 1.00 0.00 H new ATOM 1337 N GLU A 84 67.143 5.552 -10.081 1.00 0.00 N ATOM 1338 CA GLU A 84 66.652 5.687 -8.692 1.00 0.00 C ATOM 1339 C GLU A 84 66.300 4.316 -8.094 1.00 0.00 C ATOM 1340 O GLU A 84 66.769 3.957 -7.016 1.00 0.00 O ATOM 1341 CB GLU A 84 65.445 6.631 -8.615 1.00 0.00 C ATOM 1342 CG GLU A 84 65.793 8.031 -8.135 1.00 0.00 C ATOM 1343 CD GLU A 84 64.679 9.030 -8.385 1.00 0.00 C ATOM 1344 OE1 GLU A 84 63.670 8.990 -7.648 1.00 0.00 O ATOM 1345 OE2 GLU A 84 64.817 9.853 -9.313 1.00 0.00 O ATOM 0 H GLU A 84 68.136 5.758 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 84 67.459 6.122 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 84 64.984 6.699 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 64.701 6.201 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.015 8.000 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 84 66.698 8.369 -8.639 1.00 0.00 H new ATOM 1352 N GLU A 85 65.477 3.558 -8.814 1.00 0.00 N ATOM 1353 CA GLU A 85 65.069 2.218 -8.403 1.00 0.00 C ATOM 1354 C GLU A 85 66.042 1.169 -8.950 1.00 0.00 C ATOM 1355 O GLU A 85 65.801 -0.031 -8.834 1.00 0.00 O ATOM 1356 CB GLU A 85 63.645 1.918 -8.886 1.00 0.00 C ATOM 1357 CG GLU A 85 62.785 1.210 -7.850 1.00 0.00 C ATOM 1358 CD GLU A 85 61.353 1.016 -8.311 1.00 0.00 C ATOM 1359 OE1 GLU A 85 60.537 1.942 -8.116 1.00 0.00 O ATOM 1360 OE2 GLU A 85 61.047 -0.060 -8.867 1.00 0.00 O ATOM 0 H GLU A 85 65.073 3.857 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 85 65.085 2.175 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 85 63.162 2.853 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 85 63.697 1.302 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 85 63.224 0.239 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 85 62.790 1.786 -6.925 1.00 0.00 H new ATOM 1367 N ASP A 86 67.134 1.639 -9.568 1.00 0.00 N ATOM 1368 CA ASP A 86 68.167 0.764 -10.155 1.00 0.00 C ATOM 1369 C ASP A 86 68.899 -0.124 -9.125 1.00 0.00 C ATOM 1370 O ASP A 86 69.966 -0.662 -9.423 1.00 0.00 O ATOM 1371 CB ASP A 86 69.190 1.594 -10.946 1.00 0.00 C ATOM 1372 CG ASP A 86 69.928 2.605 -10.088 1.00 0.00 C ATOM 1373 OD1 ASP A 86 69.336 3.661 -9.776 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.095 2.344 -9.727 1.00 0.00 O ATOM 0 H ASP A 86 67.329 2.634 -9.677 1.00 0.00 H new ATOM 0 HA ASP A 86 67.634 0.087 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.913 0.923 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 86 68.678 2.117 -11.754 1.00 0.00 H new ATOM 1379 N VAL A 87 68.341 -0.278 -7.928 1.00 0.00 N ATOM 1380 CA VAL A 87 68.956 -1.109 -6.899 1.00 0.00 C ATOM 1381 C VAL A 87 68.634 -2.583 -7.167 1.00 0.00 C ATOM 1382 O VAL A 87 67.473 -2.996 -7.161 1.00 0.00 O ATOM 1383 CB VAL A 87 68.476 -0.708 -5.475 1.00 0.00 C ATOM 1384 CG1 VAL A 87 66.994 -0.357 -5.471 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.768 -1.813 -4.464 1.00 0.00 C ATOM 0 H VAL A 87 67.465 0.162 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 87 70.034 -0.955 -6.939 1.00 0.00 H new ATOM 0 HB VAL A 87 69.035 0.180 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.688 -0.081 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 87 66.817 0.480 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.415 -1.219 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.422 -1.505 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.250 -2.725 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 87 69.841 -2.000 -4.429 1.00 0.00 H new ATOM 1395 N ILE A 88 69.674 -3.372 -7.415 1.00 0.00 N ATOM 1396 CA ILE A 88 69.501 -4.792 -7.717 1.00 0.00 C ATOM 1397 C ILE A 88 69.749 -5.661 -6.484 1.00 0.00 C ATOM 1398 O ILE A 88 70.563 -5.323 -5.619 1.00 0.00 O ATOM 1399 CB ILE A 88 70.433 -5.255 -8.863 1.00 0.00 C ATOM 1400 CG1 ILE A 88 70.943 -4.055 -9.675 1.00 0.00 C ATOM 1401 CG2 ILE A 88 69.702 -6.236 -9.770 1.00 0.00 C ATOM 1402 CD1 ILE A 88 71.853 -4.430 -10.826 1.00 0.00 C ATOM 0 H ILE A 88 70.644 -3.055 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 88 68.466 -4.914 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 88 71.295 -5.756 -8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.087 -3.505 -10.067 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.478 -3.379 -9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.367 -6.555 -10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.390 -7.105 -9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 88 68.824 -5.751 -10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.169 -3.527 -11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 88 72.729 -4.953 -10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 88 71.316 -5.080 -11.517 1.00 0.00 H new ATOM 1414 N GLU A 89 69.048 -6.790 -6.418 1.00 0.00 N ATOM 1415 CA GLU A 89 69.182 -7.708 -5.287 1.00 0.00 C ATOM 1416 C GLU A 89 69.839 -9.018 -5.717 1.00 0.00 C ATOM 1417 O GLU A 89 69.584 -9.530 -6.808 1.00 0.00 O ATOM 1418 CB GLU A 89 67.816 -7.987 -4.644 1.00 0.00 C ATOM 1419 CG GLU A 89 67.903 -8.379 -3.174 1.00 0.00 C ATOM 1420 CD GLU A 89 67.676 -7.208 -2.234 1.00 0.00 C ATOM 1421 OE1 GLU A 89 67.589 -6.059 -2.720 1.00 0.00 O ATOM 1422 OE2 GLU A 89 67.583 -7.440 -1.010 1.00 0.00 O ATOM 0 H GLU A 89 68.384 -7.092 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 89 69.823 -7.229 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.191 -7.099 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.320 -8.786 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.165 -9.154 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.884 -8.812 -2.976 1.00 0.00 H new ATOM 1429 N VAL A 90 70.693 -9.550 -4.852 1.00 0.00 N ATOM 1430 CA VAL A 90 71.394 -10.800 -5.131 1.00 0.00 C ATOM 1431 C VAL A 90 70.785 -11.967 -4.352 1.00 0.00 C ATOM 1432 O VAL A 90 70.619 -11.891 -3.135 1.00 0.00 O ATOM 1433 CB VAL A 90 72.892 -10.696 -4.782 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.679 -11.801 -5.463 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.444 -9.330 -5.163 1.00 0.00 C ATOM 0 H VAL A 90 70.918 -9.135 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 90 71.286 -10.985 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 90 72.997 -10.815 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.734 -11.709 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.307 -12.770 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.563 -11.718 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.502 -9.281 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.322 -9.174 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.903 -8.555 -4.620 1.00 0.00 H new ATOM 1445 N TYR A 91 70.464 -13.045 -5.061 1.00 0.00 N ATOM 1446 CA TYR A 91 69.875 -14.232 -4.429 1.00 0.00 C ATOM 1447 C TYR A 91 70.839 -15.418 -4.487 1.00 0.00 C ATOM 1448 O TYR A 91 71.503 -15.641 -5.501 1.00 0.00 O ATOM 1449 CB TYR A 91 68.543 -14.627 -5.091 1.00 0.00 C ATOM 1450 CG TYR A 91 67.355 -13.772 -4.695 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.110 -13.991 -5.269 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.469 -12.754 -3.751 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.014 -13.224 -4.920 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.377 -11.985 -3.397 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.154 -12.224 -3.984 1.00 0.00 C ATOM 1456 OH TYR A 91 64.064 -11.459 -3.632 1.00 0.00 O ATOM 0 H TYR A 91 70.599 -13.126 -6.069 1.00 0.00 H new ATOM 0 HA TYR A 91 69.683 -13.973 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.663 -14.577 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.324 -15.665 -4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 91 65.995 -14.776 -6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 91 68.426 -12.563 -3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.054 -13.408 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.482 -11.200 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 91 64.331 -10.799 -2.959 1.00 0.00 H new ATOM 1466 N GLN A 92 70.906 -16.175 -3.398 1.00 0.00 N ATOM 1467 CA GLN A 92 71.789 -17.339 -3.321 1.00 0.00 C ATOM 1468 C GLN A 92 71.071 -18.604 -3.793 1.00 0.00 C ATOM 1469 O GLN A 92 69.998 -18.947 -3.295 1.00 0.00 O ATOM 1470 CB GLN A 92 72.294 -17.535 -1.887 1.00 0.00 C ATOM 1471 CG GLN A 92 73.393 -16.564 -1.472 1.00 0.00 C ATOM 1472 CD GLN A 92 74.368 -17.172 -0.480 1.00 0.00 C ATOM 1473 OE1 GLN A 92 74.525 -18.389 -0.408 1.00 0.00 O ATOM 1474 NE2 GLN A 92 75.032 -16.329 0.290 1.00 0.00 N ATOM 0 H GLN A 92 70.360 -16.005 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 92 72.640 -17.157 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 92 71.454 -17.430 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.666 -18.554 -1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.938 -16.238 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 92 72.940 -15.676 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.875 -15.325 0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 92 75.702 -16.682 0.973 1.00 0.00 H new ATOM 1483 N GLU A 93 71.675 -19.304 -4.747 1.00 0.00 N ATOM 1484 CA GLU A 93 71.096 -20.534 -5.284 1.00 0.00 C ATOM 1485 C GLU A 93 71.964 -21.743 -4.930 1.00 0.00 C ATOM 1486 O GLU A 93 72.314 -22.549 -5.794 1.00 0.00 O ATOM 1487 CB GLU A 93 70.938 -20.426 -6.804 1.00 0.00 C ATOM 1488 CG GLU A 93 69.515 -20.132 -7.252 1.00 0.00 C ATOM 1489 CD GLU A 93 69.033 -21.084 -8.331 1.00 0.00 C ATOM 1490 OE1 GLU A 93 68.461 -22.138 -7.982 1.00 0.00 O ATOM 1491 OE2 GLU A 93 69.230 -20.776 -9.526 1.00 0.00 O ATOM 0 H GLU A 93 72.567 -19.042 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 93 70.113 -20.673 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 93 71.596 -19.639 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.268 -21.359 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.847 -20.195 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 93 69.460 -19.109 -7.624 1.00 0.00 H new