USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 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 43 HIS : no HD1:sc= -0.37 K(o=-0.65,f=-2.3) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.283 K(o=-0.65,f=-1.6!) USER MOD Set 2.1: A 29 GLN : amide:sc= 2.62 K(o=4.1,f=-6.6!) USER MOD Set 2.2: A 51 TYR OH : rot 24:sc= 0.371 USER MOD Set 2.3: A 61 SER OG : rot -27:sc= 0.489 USER MOD Set 2.4: A 92 GLN : amide:sc= 0.642 K(o=4.1,f=-11!) USER MOD Set 3.1: A 42 THR OG1 : rot 121:sc= 1.07 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -127:sc= 1.24 (180deg=0) USER MOD Set 4.1: A 32 SER OG : rot 157:sc= 1.27 USER MOD Set 4.2: A 55 GLN : amide:sc= 1.1 K(o=2.4,f=-2) 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+ 153:sc= 1.28 (180deg=1.16) USER MOD Single : A 31 SER OG : rot -48:sc= 0.901 USER MOD Single : A 35 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=0) 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 168:sc= -0.0439 (180deg=-0.283) USER MOD Single : A 41 THR OG1 : rot 58:sc= 0.986 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= 1.3 (180deg=1.15) USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0.52) USER MOD Single : A 50 SER OG : rot 180:sc= 0.117 USER MOD Single : A 52 CYS SG : rot 37:sc= 0.499 USER MOD Single : A 53 GLN : amide:sc= 0.132 X(o=0.13,f=-0.011) USER MOD Single : A 59 MET CE :methyl -178:sc= 0 (180deg=-0.00308) USER MOD Single : A 60 ASN : amide:sc= 0.0907 X(o=0.091,f=-0.16) USER MOD Single : A 69 GLN : amide:sc= 1.13 K(o=1.1,f=-0.31) USER MOD Single : A 75 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-1.8) USER MOD Single : A 76 THR OG1 : rot -135:sc= 0.833 USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.33 (180deg=1.31) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 79.234 9.845 -12.401 1.00 0.00 N ATOM 291 CA TYR A 21 79.070 8.452 -11.983 1.00 0.00 C ATOM 292 C TYR A 21 77.868 8.300 -11.048 1.00 0.00 C ATOM 293 O TYR A 21 77.523 9.221 -10.308 1.00 0.00 O ATOM 294 CB TYR A 21 80.349 7.930 -11.301 1.00 0.00 C ATOM 295 CG TYR A 21 81.005 8.915 -10.352 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.467 9.167 -9.095 1.00 0.00 C ATOM 297 CD2 TYR A 21 82.167 9.587 -10.713 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.063 10.064 -8.229 1.00 0.00 C ATOM 299 CE2 TYR A 21 82.772 10.482 -9.851 1.00 0.00 C ATOM 300 CZ TYR A 21 82.216 10.719 -8.612 1.00 0.00 C ATOM 301 OH TYR A 21 82.814 11.613 -7.753 1.00 0.00 O ATOM 0 HA TYR A 21 78.888 7.855 -12.876 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.106 7.021 -10.750 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.069 7.653 -12.071 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.568 8.653 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 21 82.605 9.407 -11.684 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.629 10.251 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 21 83.676 10.993 -10.147 1.00 0.00 H new ATOM 0 HH TYR A 21 83.616 11.986 -8.175 1.00 0.00 H new ATOM 311 N ILE A 22 77.225 7.136 -11.092 1.00 0.00 N ATOM 312 CA ILE A 22 76.068 6.869 -10.243 1.00 0.00 C ATOM 313 C ILE A 22 76.413 5.844 -9.155 1.00 0.00 C ATOM 314 O ILE A 22 77.133 4.872 -9.399 1.00 0.00 O ATOM 315 CB ILE A 22 74.853 6.385 -11.079 1.00 0.00 C ATOM 316 CG1 ILE A 22 73.620 6.200 -10.191 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.174 5.094 -11.820 1.00 0.00 C ATOM 318 CD1 ILE A 22 72.467 7.107 -10.560 1.00 0.00 C ATOM 0 H ILE A 22 77.485 6.364 -11.706 1.00 0.00 H new ATOM 0 HA ILE A 22 75.792 7.806 -9.760 1.00 0.00 H new ATOM 0 HB ILE A 22 74.633 7.154 -11.819 1.00 0.00 H new ATOM 0 HG12 ILE A 22 73.290 5.163 -10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 22 73.899 6.384 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.304 4.780 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE A 22 76.015 5.260 -12.493 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.433 4.317 -11.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 71.628 6.921 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 22 72.779 8.147 -10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 22 72.161 6.907 -11.587 1.00 0.00 H new ATOM 330 N LYS A 23 75.910 6.074 -7.945 1.00 0.00 N ATOM 331 CA LYS A 23 76.173 5.175 -6.824 1.00 0.00 C ATOM 332 C LYS A 23 75.231 3.967 -6.839 1.00 0.00 C ATOM 333 O LYS A 23 74.255 3.914 -6.091 1.00 0.00 O ATOM 334 CB LYS A 23 76.040 5.926 -5.493 1.00 0.00 C ATOM 335 CG LYS A 23 76.770 7.264 -5.463 1.00 0.00 C ATOM 336 CD LYS A 23 76.117 8.232 -4.489 1.00 0.00 C ATOM 337 CE LYS A 23 76.993 9.448 -4.241 1.00 0.00 C ATOM 338 NZ LYS A 23 76.414 10.350 -3.206 1.00 0.00 N ATOM 0 H LYS A 23 75.319 6.873 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 23 77.194 4.808 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 23 74.983 6.095 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.424 5.295 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.810 7.106 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 76.775 7.699 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 23 75.152 8.552 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 23 75.922 7.724 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 23 77.984 9.123 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 23 77.120 9.999 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 77.042 11.167 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 75.479 10.681 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.316 9.832 -2.310 1.00 0.00 H new ATOM 352 N LEU A 24 75.536 3.000 -7.700 1.00 0.00 N ATOM 353 CA LEU A 24 74.727 1.784 -7.814 1.00 0.00 C ATOM 354 C LEU A 24 75.055 0.810 -6.683 1.00 0.00 C ATOM 355 O LEU A 24 76.071 0.115 -6.722 1.00 0.00 O ATOM 356 CB LEU A 24 74.952 1.098 -9.171 1.00 0.00 C ATOM 357 CG LEU A 24 76.011 1.734 -10.079 1.00 0.00 C ATOM 358 CD1 LEU A 24 77.400 1.219 -9.729 1.00 0.00 C ATOM 359 CD2 LEU A 24 75.695 1.454 -11.541 1.00 0.00 C ATOM 0 H LEU A 24 76.337 3.032 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 24 73.679 2.075 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.234 0.061 -8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.004 1.081 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 24 75.995 2.812 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 24 78.136 1.683 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 77.630 1.468 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 24 77.430 0.137 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.456 1.912 -12.172 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.683 0.377 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 24 74.719 1.871 -11.789 1.00 0.00 H new ATOM 371 N LYS A 25 74.189 0.765 -5.675 1.00 0.00 N ATOM 372 CA LYS A 25 74.394 -0.120 -4.528 1.00 0.00 C ATOM 373 C LYS A 25 73.609 -1.420 -4.683 1.00 0.00 C ATOM 374 O LYS A 25 72.401 -1.408 -4.915 1.00 0.00 O ATOM 375 CB LYS A 25 73.981 0.588 -3.236 1.00 0.00 C ATOM 376 CG LYS A 25 75.146 1.167 -2.447 1.00 0.00 C ATOM 377 CD LYS A 25 74.675 2.228 -1.466 1.00 0.00 C ATOM 378 CE LYS A 25 75.808 2.714 -0.574 1.00 0.00 C ATOM 379 NZ LYS A 25 75.332 3.021 0.804 1.00 0.00 N ATOM 0 H LYS A 25 73.340 1.329 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 25 75.454 -0.368 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.286 1.392 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 25 73.442 -0.118 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 25 75.654 0.369 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 25 75.873 1.600 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 25 74.257 3.072 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 25 73.874 1.822 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 25 76.587 1.953 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 25 76.258 3.606 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 76.116 2.901 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 74.989 4.002 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 74.558 2.374 1.056 1.00 0.00 H new ATOM 393 N VAL A 26 74.302 -2.544 -4.555 1.00 0.00 N ATOM 394 CA VAL A 26 73.669 -3.856 -4.670 1.00 0.00 C ATOM 395 C VAL A 26 73.464 -4.479 -3.287 1.00 0.00 C ATOM 396 O VAL A 26 74.367 -4.448 -2.445 1.00 0.00 O ATOM 397 CB VAL A 26 74.511 -4.820 -5.541 1.00 0.00 C ATOM 398 CG1 VAL A 26 73.713 -6.060 -5.906 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.016 -4.122 -6.798 1.00 0.00 C ATOM 0 H VAL A 26 75.305 -2.576 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 26 72.703 -3.705 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 26 75.375 -5.130 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.327 -6.721 -6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.414 -6.581 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 26 72.824 -5.769 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.604 -4.822 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.167 -3.772 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.638 -3.272 -6.517 1.00 0.00 H new ATOM 409 N ILE A 27 72.281 -5.044 -3.056 1.00 0.00 N ATOM 410 CA ILE A 27 71.973 -5.671 -1.770 1.00 0.00 C ATOM 411 C ILE A 27 72.350 -7.153 -1.792 1.00 0.00 C ATOM 412 O ILE A 27 71.806 -7.934 -2.578 1.00 0.00 O ATOM 413 CB ILE A 27 70.471 -5.527 -1.397 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.103 -4.064 -1.109 1.00 0.00 C ATOM 415 CG2 ILE A 27 70.130 -6.393 -0.189 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.615 -3.792 -1.189 1.00 0.00 C ATOM 0 H ILE A 27 71.523 -5.081 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 27 72.563 -5.152 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 27 69.888 -5.865 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.461 -3.796 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.621 -3.420 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 27 69.074 -6.277 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.337 -7.438 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.735 -6.084 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.425 -2.740 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.255 -4.029 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 27 68.092 -4.411 -0.460 1.00 0.00 H new ATOM 428 N GLY A 28 73.290 -7.528 -0.929 1.00 0.00 N ATOM 429 CA GLY A 28 73.732 -8.911 -0.857 1.00 0.00 C ATOM 430 C GLY A 28 72.785 -9.799 -0.066 1.00 0.00 C ATOM 431 O GLY A 28 71.900 -9.312 0.640 1.00 0.00 O ATOM 0 H GLY A 28 73.755 -6.897 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.833 -9.307 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.721 -8.947 -0.400 1.00 0.00 H new ATOM 435 N GLN A 29 72.996 -11.110 -0.163 1.00 0.00 N ATOM 436 CA GLN A 29 72.159 -12.093 0.533 1.00 0.00 C ATOM 437 C GLN A 29 72.338 -12.028 2.055 1.00 0.00 C ATOM 438 O GLN A 29 71.517 -12.550 2.807 1.00 0.00 O ATOM 439 CB GLN A 29 72.478 -13.506 0.024 1.00 0.00 C ATOM 440 CG GLN A 29 73.908 -13.957 0.300 1.00 0.00 C ATOM 441 CD GLN A 29 74.847 -13.686 -0.863 1.00 0.00 C ATOM 442 OE1 GLN A 29 75.075 -12.537 -1.240 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.401 -14.738 -1.438 1.00 0.00 N ATOM 0 H GLN A 29 73.745 -11.521 -0.721 1.00 0.00 H new ATOM 0 HA GLN A 29 71.118 -11.852 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.789 -14.212 0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 29 72.297 -13.543 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 29 74.280 -13.446 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 29 73.911 -15.024 0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.188 -15.676 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 29 76.042 -14.613 -2.222 1.00 0.00 H new ATOM 452 N ASP A 30 73.411 -11.384 2.504 1.00 0.00 N ATOM 453 CA ASP A 30 73.688 -11.251 3.931 1.00 0.00 C ATOM 454 C ASP A 30 73.415 -9.822 4.420 1.00 0.00 C ATOM 455 O ASP A 30 74.007 -9.374 5.401 1.00 0.00 O ATOM 456 CB ASP A 30 75.138 -11.642 4.224 1.00 0.00 C ATOM 457 CG ASP A 30 75.258 -13.052 4.764 1.00 0.00 C ATOM 458 OD1 ASP A 30 75.188 -13.225 6.000 1.00 0.00 O ATOM 459 OD2 ASP A 30 75.424 -13.986 3.950 1.00 0.00 O ATOM 0 H ASP A 30 74.105 -10.945 1.899 1.00 0.00 H new ATOM 0 HA ASP A 30 73.020 -11.924 4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.727 -11.554 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.562 -10.943 4.945 1.00 0.00 H new ATOM 464 N SER A 31 72.519 -9.118 3.716 1.00 0.00 N ATOM 465 CA SER A 31 72.152 -7.733 4.054 1.00 0.00 C ATOM 466 C SER A 31 73.355 -6.790 3.938 1.00 0.00 C ATOM 467 O SER A 31 73.475 -5.811 4.678 1.00 0.00 O ATOM 468 CB SER A 31 71.552 -7.656 5.465 1.00 0.00 C ATOM 469 OG SER A 31 71.128 -6.339 5.771 1.00 0.00 O ATOM 0 H SER A 31 72.030 -9.488 2.901 1.00 0.00 H new ATOM 0 HA SER A 31 71.399 -7.410 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.707 -8.340 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 31 72.292 -7.982 6.196 1.00 0.00 H new ATOM 0 HG SER A 31 71.842 -5.705 5.548 1.00 0.00 H new ATOM 475 N SER A 32 74.238 -7.086 2.988 1.00 0.00 N ATOM 476 CA SER A 32 75.433 -6.279 2.763 1.00 0.00 C ATOM 477 C SER A 32 75.228 -5.287 1.619 1.00 0.00 C ATOM 478 O SER A 32 74.470 -5.550 0.686 1.00 0.00 O ATOM 479 CB SER A 32 76.624 -7.188 2.449 1.00 0.00 C ATOM 480 OG SER A 32 76.193 -8.410 1.869 1.00 0.00 O ATOM 0 H SER A 32 74.147 -7.883 2.359 1.00 0.00 H new ATOM 0 HA SER A 32 75.632 -5.713 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 32 77.305 -6.678 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 77.181 -7.392 3.363 1.00 0.00 H new ATOM 0 HG SER A 32 76.925 -8.801 1.348 1.00 0.00 H new ATOM 486 N GLU A 33 75.909 -4.147 1.700 1.00 0.00 N ATOM 487 CA GLU A 33 75.800 -3.114 0.670 1.00 0.00 C ATOM 488 C GLU A 33 77.118 -2.954 -0.093 1.00 0.00 C ATOM 489 O GLU A 33 78.100 -2.444 0.444 1.00 0.00 O ATOM 490 CB GLU A 33 75.406 -1.779 1.308 1.00 0.00 C ATOM 491 CG GLU A 33 74.142 -1.169 0.724 1.00 0.00 C ATOM 492 CD GLU A 33 73.448 -0.229 1.691 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.586 -0.700 2.463 1.00 0.00 O ATOM 494 OE2 GLU A 33 73.773 0.980 1.680 1.00 0.00 O ATOM 0 H GLU A 33 76.541 -3.914 2.466 1.00 0.00 H new ATOM 0 HA GLU A 33 75.030 -3.421 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 33 75.266 -1.926 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 33 76.228 -1.073 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 33 74.392 -0.627 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.455 -1.967 0.442 1.00 0.00 H new ATOM 501 N ILE A 34 77.130 -3.390 -1.351 1.00 0.00 N ATOM 502 CA ILE A 34 78.326 -3.291 -2.186 1.00 0.00 C ATOM 503 C ILE A 34 78.066 -2.404 -3.407 1.00 0.00 C ATOM 504 O ILE A 34 77.005 -2.483 -4.026 1.00 0.00 O ATOM 505 CB ILE A 34 78.812 -4.682 -2.667 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.676 -5.729 -1.549 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.250 -4.607 -3.162 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.699 -5.584 -0.439 1.00 0.00 C ATOM 0 H ILE A 34 76.327 -3.815 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 34 79.104 -2.845 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 34 78.179 -4.992 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 34 77.677 -5.659 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.766 -6.724 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.572 -5.594 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.312 -3.905 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.896 -4.269 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.536 -6.359 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 34 80.702 -5.685 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 34 79.595 -4.603 0.025 1.00 0.00 H new ATOM 520 N HIS A 35 79.035 -1.554 -3.749 1.00 0.00 N ATOM 521 CA HIS A 35 78.892 -0.654 -4.896 1.00 0.00 C ATOM 522 C HIS A 35 80.229 -0.419 -5.600 1.00 0.00 C ATOM 523 O HIS A 35 81.293 -0.502 -4.984 1.00 0.00 O ATOM 524 CB HIS A 35 78.276 0.689 -4.470 1.00 0.00 C ATOM 525 CG HIS A 35 78.931 1.338 -3.285 1.00 0.00 C ATOM 526 ND1 HIS A 35 79.740 2.447 -3.388 1.00 0.00 N ATOM 527 CD2 HIS A 35 78.873 1.044 -1.963 1.00 0.00 C ATOM 528 CE1 HIS A 35 80.151 2.808 -2.189 1.00 0.00 C ATOM 529 NE2 HIS A 35 79.640 1.973 -1.304 1.00 0.00 N ATOM 0 H HIS A 35 79.922 -1.469 -3.253 1.00 0.00 H new ATOM 0 HA HIS A 35 78.219 -1.140 -5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.322 1.377 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 35 77.221 0.533 -4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 35 78.325 0.230 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 35 80.797 3.645 -1.968 1.00 0.00 H new ATOM 0 HE2 HIS A 35 79.790 2.011 -0.296 1.00 0.00 H new ATOM 537 N PHE A 36 80.162 -0.123 -6.896 1.00 0.00 N ATOM 538 CA PHE A 36 81.361 0.126 -7.696 1.00 0.00 C ATOM 539 C PHE A 36 81.514 1.612 -8.041 1.00 0.00 C ATOM 540 O PHE A 36 82.627 2.092 -8.252 1.00 0.00 O ATOM 541 CB PHE A 36 81.317 -0.709 -8.978 1.00 0.00 C ATOM 542 CG PHE A 36 82.673 -1.050 -9.533 1.00 0.00 C ATOM 543 CD1 PHE A 36 83.665 -1.565 -8.713 1.00 0.00 C ATOM 544 CD2 PHE A 36 82.955 -0.856 -10.875 1.00 0.00 C ATOM 545 CE1 PHE A 36 84.911 -1.879 -9.223 1.00 0.00 C ATOM 546 CE2 PHE A 36 84.199 -1.168 -11.390 1.00 0.00 C ATOM 547 CZ PHE A 36 85.179 -1.680 -10.562 1.00 0.00 C ATOM 0 H PHE A 36 79.288 -0.049 -7.417 1.00 0.00 H new ATOM 0 HA PHE A 36 82.226 -0.167 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 36 80.774 -1.633 -8.779 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.752 -0.164 -9.735 1.00 0.00 H new ATOM 0 HD1 PHE A 36 83.462 -1.723 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.193 -0.456 -11.527 1.00 0.00 H new ATOM 0 HE1 PHE A 36 85.675 -2.280 -8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.405 -1.012 -12.439 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.152 -1.924 -10.961 1.00 0.00 H new ATOM 557 N LYS A 37 80.384 2.326 -8.097 1.00 0.00 N ATOM 558 CA LYS A 37 80.358 3.764 -8.416 1.00 0.00 C ATOM 559 C LYS A 37 80.908 4.048 -9.820 1.00 0.00 C ATOM 560 O LYS A 37 82.007 4.579 -9.980 1.00 0.00 O ATOM 561 CB LYS A 37 81.138 4.567 -7.369 1.00 0.00 C ATOM 562 CG LYS A 37 80.251 5.415 -6.469 1.00 0.00 C ATOM 563 CD LYS A 37 81.064 6.427 -5.677 1.00 0.00 C ATOM 564 CE LYS A 37 81.135 6.055 -4.204 1.00 0.00 C ATOM 565 NZ LYS A 37 82.117 6.897 -3.466 1.00 0.00 N ATOM 0 H LYS A 37 79.461 1.927 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 37 79.315 4.079 -8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.716 3.879 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.851 5.215 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 37 79.510 5.936 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.704 4.769 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 37 82.072 6.486 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 37 80.618 7.416 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 37 80.149 6.167 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 37 81.412 5.005 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 82.136 6.612 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 83.063 6.771 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 81.839 7.897 -3.536 1.00 0.00 H new ATOM 579 N VAL A 38 80.121 3.704 -10.835 1.00 0.00 N ATOM 580 CA VAL A 38 80.517 3.914 -12.229 1.00 0.00 C ATOM 581 C VAL A 38 79.395 4.580 -13.026 1.00 0.00 C ATOM 582 O VAL A 38 78.415 5.056 -12.456 1.00 0.00 O ATOM 583 CB VAL A 38 80.911 2.588 -12.923 1.00 0.00 C ATOM 584 CG1 VAL A 38 82.392 2.303 -12.734 1.00 0.00 C ATOM 585 CG2 VAL A 38 80.069 1.428 -12.406 1.00 0.00 C ATOM 0 H VAL A 38 79.202 3.277 -10.720 1.00 0.00 H new ATOM 0 HA VAL A 38 81.388 4.570 -12.208 1.00 0.00 H new ATOM 0 HB VAL A 38 80.715 2.696 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.648 1.367 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.977 3.115 -13.167 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.614 2.223 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.367 0.509 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.221 1.318 -11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 38 79.016 1.626 -12.605 1.00 0.00 H new ATOM 595 N LYS A 39 79.543 4.618 -14.347 1.00 0.00 N ATOM 596 CA LYS A 39 78.533 5.226 -15.211 1.00 0.00 C ATOM 597 C LYS A 39 77.369 4.265 -15.463 1.00 0.00 C ATOM 598 O LYS A 39 77.524 3.048 -15.372 1.00 0.00 O ATOM 599 CB LYS A 39 79.156 5.652 -16.542 1.00 0.00 C ATOM 600 CG LYS A 39 79.826 7.017 -16.489 1.00 0.00 C ATOM 601 CD LYS A 39 79.055 8.056 -17.289 1.00 0.00 C ATOM 602 CE LYS A 39 77.766 8.467 -16.591 1.00 0.00 C ATOM 603 NZ LYS A 39 77.009 9.483 -17.374 1.00 0.00 N ATOM 0 H LYS A 39 80.349 4.237 -14.842 1.00 0.00 H new ATOM 0 HA LYS A 39 78.144 6.107 -14.701 1.00 0.00 H new ATOM 0 HB2 LYS A 39 79.891 4.907 -16.845 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.381 5.666 -17.309 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.906 7.343 -15.452 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.841 6.939 -16.878 1.00 0.00 H new ATOM 0 HD2 LYS A 39 79.681 8.935 -17.442 1.00 0.00 H new ATOM 0 HD3 LYS A 39 78.822 7.655 -18.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 77.140 7.588 -16.437 1.00 0.00 H new ATOM 0 HE3 LYS A 39 77.999 8.869 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 76.138 9.736 -16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 77.596 10.332 -17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 76.763 9.091 -18.306 1.00 0.00 H new ATOM 617 N MET A 40 76.205 4.822 -15.791 1.00 0.00 N ATOM 618 CA MET A 40 75.011 4.014 -16.052 1.00 0.00 C ATOM 619 C MET A 40 75.089 3.303 -17.410 1.00 0.00 C ATOM 620 O MET A 40 74.373 2.332 -17.650 1.00 0.00 O ATOM 621 CB MET A 40 73.756 4.891 -15.999 1.00 0.00 C ATOM 622 CG MET A 40 72.828 4.560 -14.838 1.00 0.00 C ATOM 623 SD MET A 40 71.462 5.731 -14.674 1.00 0.00 S ATOM 624 CE MET A 40 70.610 5.534 -16.240 1.00 0.00 C ATOM 0 H MET A 40 76.061 5.828 -15.883 1.00 0.00 H new ATOM 0 HA MET A 40 74.957 3.251 -15.276 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.056 5.936 -15.926 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.207 4.782 -16.934 1.00 0.00 H new ATOM 0 HG2 MET A 40 72.425 3.557 -14.976 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.403 4.548 -13.912 1.00 0.00 H new ATOM 0 HE1 MET A 40 69.641 6.030 -16.192 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.206 5.979 -17.037 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.465 4.473 -16.444 1.00 0.00 H new ATOM 634 N THR A 41 75.954 3.791 -18.304 1.00 0.00 N ATOM 635 CA THR A 41 76.113 3.185 -19.628 1.00 0.00 C ATOM 636 C THR A 41 77.289 2.205 -19.650 1.00 0.00 C ATOM 637 O THR A 41 78.190 2.304 -20.486 1.00 0.00 O ATOM 638 CB THR A 41 76.326 4.263 -20.711 1.00 0.00 C ATOM 639 OG1 THR A 41 77.649 4.811 -20.615 1.00 0.00 O ATOM 640 CG2 THR A 41 75.310 5.380 -20.559 1.00 0.00 C ATOM 0 H THR A 41 76.552 4.600 -18.136 1.00 0.00 H new ATOM 0 HA THR A 41 75.194 2.641 -19.844 1.00 0.00 H new ATOM 0 HB THR A 41 76.198 3.793 -21.686 1.00 0.00 H new ATOM 0 HG1 THR A 41 78.308 4.092 -20.710 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.476 6.131 -21.332 1.00 0.00 H new ATOM 0 HG22 THR A 41 74.304 4.973 -20.659 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.419 5.840 -19.577 1.00 0.00 H new ATOM 648 N THR A 42 77.274 1.250 -18.729 1.00 0.00 N ATOM 649 CA THR A 42 78.348 0.268 -18.636 1.00 0.00 C ATOM 650 C THR A 42 77.811 -1.152 -18.419 1.00 0.00 C ATOM 651 O THR A 42 76.667 -1.337 -18.003 1.00 0.00 O ATOM 652 CB THR A 42 79.343 0.660 -17.520 1.00 0.00 C ATOM 653 OG1 THR A 42 80.673 0.287 -17.899 1.00 0.00 O ATOM 654 CG2 THR A 42 78.988 0.017 -16.182 1.00 0.00 C ATOM 0 H THR A 42 76.533 1.134 -18.038 1.00 0.00 H new ATOM 0 HA THR A 42 78.876 0.267 -19.590 1.00 0.00 H new ATOM 0 HB THR A 42 79.283 1.741 -17.393 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.244 1.083 -17.916 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.714 0.321 -15.428 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.992 0.338 -15.877 1.00 0.00 H new ATOM 0 HG23 THR A 42 79.004 -1.068 -16.284 1.00 0.00 H new ATOM 662 N HIS A 43 78.643 -2.148 -18.724 1.00 0.00 N ATOM 663 CA HIS A 43 78.261 -3.557 -18.580 1.00 0.00 C ATOM 664 C HIS A 43 78.096 -3.955 -17.108 1.00 0.00 C ATOM 665 O HIS A 43 78.844 -3.498 -16.244 1.00 0.00 O ATOM 666 CB HIS A 43 79.309 -4.455 -19.237 1.00 0.00 C ATOM 667 CG HIS A 43 79.137 -4.613 -20.717 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.194 -4.706 -21.591 1.00 0.00 N ATOM 669 CD2 HIS A 43 78.019 -4.719 -21.476 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.741 -4.865 -22.821 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.421 -4.879 -22.783 1.00 0.00 N ATOM 0 H HIS A 43 79.590 -2.006 -19.074 1.00 0.00 H new ATOM 0 HA HIS A 43 77.299 -3.687 -19.075 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.299 -4.045 -19.039 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.272 -5.439 -18.770 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.000 -4.684 -21.121 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.348 -4.967 -23.709 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.803 -4.990 -23.587 1.00 0.00 H new ATOM 679 N LEU A 44 77.126 -4.831 -16.834 1.00 0.00 N ATOM 680 CA LEU A 44 76.858 -5.280 -15.462 1.00 0.00 C ATOM 681 C LEU A 44 77.947 -6.214 -14.899 1.00 0.00 C ATOM 682 O LEU A 44 77.990 -6.441 -13.687 1.00 0.00 O ATOM 683 CB LEU A 44 75.492 -5.969 -15.389 1.00 0.00 C ATOM 684 CG LEU A 44 74.347 -5.129 -14.794 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.867 -4.113 -13.786 1.00 0.00 C ATOM 686 CD2 LEU A 44 73.569 -4.430 -15.897 1.00 0.00 C ATOM 0 H LEU A 44 76.515 -5.243 -17.539 1.00 0.00 H new ATOM 0 HA LEU A 44 76.861 -4.385 -14.840 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.207 -6.276 -16.395 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.596 -6.878 -14.796 1.00 0.00 H new ATOM 0 HG LEU A 44 73.677 -5.809 -14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.032 -3.537 -13.386 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.372 -4.633 -12.972 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.569 -3.440 -14.277 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.764 -3.841 -15.457 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.237 -3.773 -16.453 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.147 -5.174 -16.572 1.00 0.00 H new ATOM 698 N LYS A 45 78.822 -6.754 -15.760 1.00 0.00 N ATOM 699 CA LYS A 45 79.884 -7.665 -15.314 1.00 0.00 C ATOM 700 C LYS A 45 80.798 -7.023 -14.259 1.00 0.00 C ATOM 701 O LYS A 45 81.320 -7.714 -13.385 1.00 0.00 O ATOM 702 CB LYS A 45 80.708 -8.157 -16.519 1.00 0.00 C ATOM 703 CG LYS A 45 81.854 -7.236 -16.927 1.00 0.00 C ATOM 704 CD LYS A 45 83.205 -7.911 -16.739 1.00 0.00 C ATOM 705 CE LYS A 45 84.297 -6.898 -16.435 1.00 0.00 C ATOM 706 NZ LYS A 45 85.534 -7.550 -15.928 1.00 0.00 N ATOM 0 H LYS A 45 78.815 -6.576 -16.764 1.00 0.00 H new ATOM 0 HA LYS A 45 79.401 -8.519 -14.840 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.116 -9.140 -16.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.040 -8.283 -17.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.734 -6.944 -17.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.817 -6.322 -16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 45 83.142 -8.634 -15.926 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.464 -8.467 -17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 45 84.529 -6.332 -17.338 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.934 -6.184 -15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.021 -6.908 -15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.285 -8.429 -15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 86.163 -7.770 -16.727 1.00 0.00 H new ATOM 720 N LYS A 46 80.975 -5.704 -14.333 1.00 0.00 N ATOM 721 CA LYS A 46 81.820 -4.986 -13.376 1.00 0.00 C ATOM 722 C LYS A 46 81.164 -4.935 -11.995 1.00 0.00 C ATOM 723 O LYS A 46 81.837 -5.048 -10.969 1.00 0.00 O ATOM 724 CB LYS A 46 82.094 -3.566 -13.874 1.00 0.00 C ATOM 725 CG LYS A 46 83.441 -3.412 -14.563 1.00 0.00 C ATOM 726 CD LYS A 46 83.640 -2.000 -15.087 1.00 0.00 C ATOM 727 CE LYS A 46 83.283 -1.898 -16.562 1.00 0.00 C ATOM 728 NZ LYS A 46 83.136 -0.482 -17.001 1.00 0.00 N ATOM 0 H LYS A 46 80.546 -5.111 -15.044 1.00 0.00 H new ATOM 0 HA LYS A 46 82.764 -5.524 -13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.305 -3.275 -14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.046 -2.878 -13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.239 -3.657 -13.863 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.512 -4.121 -15.388 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.024 -1.308 -14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.677 -1.699 -14.941 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.056 -2.384 -17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 46 82.353 -2.434 -16.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 82.215 -0.357 -17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 83.193 0.146 -16.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 83.897 -0.245 -17.669 1.00 0.00 H new ATOM 742 N LEU A 47 79.843 -4.778 -11.981 1.00 0.00 N ATOM 743 CA LEU A 47 79.080 -4.712 -10.737 1.00 0.00 C ATOM 744 C LEU A 47 78.993 -6.080 -10.062 1.00 0.00 C ATOM 745 O LEU A 47 79.168 -6.199 -8.849 1.00 0.00 O ATOM 746 CB LEU A 47 77.672 -4.181 -11.017 1.00 0.00 C ATOM 747 CG LEU A 47 77.465 -2.694 -10.722 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.779 -1.858 -11.955 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.041 -2.441 -10.254 1.00 0.00 C ATOM 0 H LEU A 47 79.275 -4.694 -12.824 1.00 0.00 H new ATOM 0 HA LEU A 47 79.599 -4.034 -10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.434 -4.363 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.960 -4.755 -10.424 1.00 0.00 H new ATOM 0 HG LEU A 47 78.148 -2.400 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.627 -0.803 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.816 -2.020 -12.250 1.00 0.00 H new ATOM 0 HD13 LEU A 47 77.120 -2.152 -12.772 1.00 0.00 H new ATOM 0 HD21 LEU A 47 75.909 -1.379 -10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.342 -2.749 -11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 47 75.849 -3.013 -9.346 1.00 0.00 H new ATOM 761 N LYS A 48 78.731 -7.115 -10.860 1.00 0.00 N ATOM 762 CA LYS A 48 78.620 -8.480 -10.344 1.00 0.00 C ATOM 763 C LYS A 48 79.967 -8.991 -9.827 1.00 0.00 C ATOM 764 O LYS A 48 80.041 -9.598 -8.757 1.00 0.00 O ATOM 765 CB LYS A 48 78.091 -9.425 -11.427 1.00 0.00 C ATOM 766 CG LYS A 48 76.615 -9.244 -11.741 1.00 0.00 C ATOM 767 CD LYS A 48 76.287 -9.707 -13.152 1.00 0.00 C ATOM 768 CE LYS A 48 75.714 -11.115 -13.158 1.00 0.00 C ATOM 769 NZ LYS A 48 75.444 -11.602 -14.538 1.00 0.00 N ATOM 0 H LYS A 48 78.591 -7.034 -11.867 1.00 0.00 H new ATOM 0 HA LYS A 48 77.916 -8.459 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.667 -9.273 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.261 -10.454 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.017 -9.806 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.344 -8.194 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.572 -9.020 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.188 -9.677 -13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.411 -11.792 -12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.790 -11.133 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.432 -11.821 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.708 -10.866 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.003 -12.460 -14.719 1.00 0.00 H new ATOM 783 N GLU A 49 81.032 -8.737 -10.591 1.00 0.00 N ATOM 784 CA GLU A 49 82.376 -9.172 -10.206 1.00 0.00 C ATOM 785 C GLU A 49 82.852 -8.471 -8.932 1.00 0.00 C ATOM 786 O GLU A 49 83.446 -9.105 -8.062 1.00 0.00 O ATOM 787 CB GLU A 49 83.370 -8.914 -11.342 1.00 0.00 C ATOM 788 CG GLU A 49 83.870 -10.182 -12.014 1.00 0.00 C ATOM 789 CD GLU A 49 83.958 -10.051 -13.523 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.870 -9.341 -14.007 1.00 0.00 O ATOM 791 OE2 GLU A 49 83.121 -10.658 -14.221 1.00 0.00 O ATOM 0 H GLU A 49 80.990 -8.234 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 49 82.327 -10.242 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.896 -8.279 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.223 -8.361 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.853 -10.434 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.204 -11.008 -11.764 1.00 0.00 H new ATOM 798 N SER A 50 82.578 -7.165 -8.828 1.00 0.00 N ATOM 799 CA SER A 50 82.975 -6.381 -7.653 1.00 0.00 C ATOM 800 C SER A 50 82.388 -6.978 -6.375 1.00 0.00 C ATOM 801 O SER A 50 83.116 -7.275 -5.425 1.00 0.00 O ATOM 802 CB SER A 50 82.523 -4.927 -7.796 1.00 0.00 C ATOM 803 OG SER A 50 82.763 -4.197 -6.604 1.00 0.00 O ATOM 0 H SER A 50 82.084 -6.630 -9.542 1.00 0.00 H new ATOM 0 HA SER A 50 84.063 -6.410 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 50 83.052 -4.458 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.461 -4.895 -8.037 1.00 0.00 H new ATOM 0 HG SER A 50 82.467 -3.270 -6.723 1.00 0.00 H new ATOM 809 N TYR A 51 81.067 -7.148 -6.365 1.00 0.00 N ATOM 810 CA TYR A 51 80.365 -7.731 -5.212 1.00 0.00 C ATOM 811 C TYR A 51 80.864 -9.157 -4.912 1.00 0.00 C ATOM 812 O TYR A 51 81.040 -9.528 -3.749 1.00 0.00 O ATOM 813 CB TYR A 51 78.834 -7.718 -5.447 1.00 0.00 C ATOM 814 CG TYR A 51 78.106 -8.955 -4.961 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.725 -9.087 -3.633 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.805 -9.992 -5.835 1.00 0.00 C ATOM 817 CE1 TYR A 51 77.066 -10.215 -3.188 1.00 0.00 C ATOM 818 CE2 TYR A 51 77.145 -11.123 -5.399 1.00 0.00 C ATOM 819 CZ TYR A 51 76.779 -11.231 -4.075 1.00 0.00 C ATOM 820 OH TYR A 51 76.124 -12.358 -3.638 1.00 0.00 O ATOM 0 H TYR A 51 80.457 -6.892 -7.141 1.00 0.00 H new ATOM 0 HA TYR A 51 80.585 -7.117 -4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.411 -6.846 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.645 -7.598 -6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.948 -8.293 -2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 51 78.092 -9.912 -6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.777 -10.301 -2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.917 -11.919 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 51 75.610 -12.146 -2.831 1.00 0.00 H new ATOM 830 N CYS A 52 81.105 -9.941 -5.966 1.00 0.00 N ATOM 831 CA CYS A 52 81.581 -11.332 -5.818 1.00 0.00 C ATOM 832 C CYS A 52 82.908 -11.409 -5.052 1.00 0.00 C ATOM 833 O CYS A 52 83.001 -12.089 -4.026 1.00 0.00 O ATOM 834 CB CYS A 52 81.752 -12.015 -7.187 1.00 0.00 C ATOM 835 SG CYS A 52 82.318 -13.729 -7.086 1.00 0.00 S ATOM 0 H CYS A 52 80.980 -9.643 -6.933 1.00 0.00 H new ATOM 0 HA CYS A 52 80.816 -11.856 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 52 80.800 -11.988 -7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 52 82.464 -11.442 -7.781 1.00 0.00 H new ATOM 0 HG CYS A 52 81.777 -14.305 -6.054 1.00 0.00 H new ATOM 841 N GLN A 53 83.928 -10.704 -5.548 1.00 0.00 N ATOM 842 CA GLN A 53 85.252 -10.713 -4.912 1.00 0.00 C ATOM 843 C GLN A 53 85.276 -9.957 -3.576 1.00 0.00 C ATOM 844 O GLN A 53 86.190 -10.142 -2.773 1.00 0.00 O ATOM 845 CB GLN A 53 86.321 -10.141 -5.857 1.00 0.00 C ATOM 846 CG GLN A 53 85.997 -8.764 -6.424 1.00 0.00 C ATOM 847 CD GLN A 53 86.862 -7.664 -5.838 1.00 0.00 C ATOM 848 OE1 GLN A 53 88.080 -7.666 -5.989 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.233 -6.713 -5.168 1.00 0.00 N ATOM 0 H GLN A 53 83.865 -10.122 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 53 85.480 -11.757 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 53 87.268 -10.085 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 53 86.464 -10.836 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.126 -8.783 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 53 84.949 -8.535 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.219 -6.747 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.762 -5.945 -4.755 1.00 0.00 H new ATOM 858 N ARG A 54 84.278 -9.108 -3.336 1.00 0.00 N ATOM 859 CA ARG A 54 84.208 -8.349 -2.087 1.00 0.00 C ATOM 860 C ARG A 54 83.765 -9.246 -0.930 1.00 0.00 C ATOM 861 O ARG A 54 84.282 -9.145 0.182 1.00 0.00 O ATOM 862 CB ARG A 54 83.248 -7.165 -2.231 1.00 0.00 C ATOM 863 CG ARG A 54 83.829 -5.843 -1.749 1.00 0.00 C ATOM 864 CD ARG A 54 83.997 -4.852 -2.892 1.00 0.00 C ATOM 865 NE ARG A 54 84.122 -3.478 -2.408 1.00 0.00 N ATOM 866 CZ ARG A 54 83.557 -2.433 -2.991 1.00 0.00 C ATOM 867 NH1 ARG A 54 82.854 -2.573 -4.090 1.00 0.00 N ATOM 868 NH2 ARG A 54 83.705 -1.236 -2.481 1.00 0.00 N ATOM 0 H ARG A 54 83.511 -8.929 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 54 85.205 -7.968 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.962 -7.066 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.337 -7.377 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.176 -5.414 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.795 -6.021 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.881 -5.114 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.142 -4.924 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 54 84.679 -3.315 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 54 82.737 -3.497 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 54 82.424 -1.758 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 54 84.257 -1.108 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 54 83.269 -0.432 -2.932 1.00 0.00 H new ATOM 882 N GLN A 55 82.790 -10.111 -1.195 1.00 0.00 N ATOM 883 CA GLN A 55 82.285 -11.038 -0.174 1.00 0.00 C ATOM 884 C GLN A 55 83.092 -12.343 -0.128 1.00 0.00 C ATOM 885 O GLN A 55 83.476 -12.799 0.947 1.00 0.00 O ATOM 886 CB GLN A 55 80.802 -11.352 -0.407 1.00 0.00 C ATOM 887 CG GLN A 55 79.935 -10.115 -0.575 1.00 0.00 C ATOM 888 CD GLN A 55 79.448 -9.556 0.749 1.00 0.00 C ATOM 889 OE1 GLN A 55 78.299 -9.751 1.136 1.00 0.00 O ATOM 890 NE2 GLN A 55 80.321 -8.853 1.454 1.00 0.00 N ATOM 0 H GLN A 55 82.332 -10.193 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 55 82.400 -10.539 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.707 -11.975 -1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.427 -11.936 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.502 -9.348 -1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.076 -10.361 -1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 55 81.267 -8.712 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 55 80.047 -8.452 2.351 1.00 0.00 H new ATOM 899 N GLY A 56 83.344 -12.945 -1.292 1.00 0.00 N ATOM 900 CA GLY A 56 84.097 -14.189 -1.335 1.00 0.00 C ATOM 901 C GLY A 56 83.201 -15.406 -1.506 1.00 0.00 C ATOM 902 O GLY A 56 83.393 -16.428 -0.849 1.00 0.00 O ATOM 0 H GLY A 56 83.041 -12.595 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.811 -14.149 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.674 -14.293 -0.416 1.00 0.00 H new ATOM 906 N VAL A 57 82.225 -15.296 -2.401 1.00 0.00 N ATOM 907 CA VAL A 57 81.286 -16.388 -2.659 1.00 0.00 C ATOM 908 C VAL A 57 81.335 -16.826 -4.125 1.00 0.00 C ATOM 909 O VAL A 57 81.592 -16.014 -5.012 1.00 0.00 O ATOM 910 CB VAL A 57 79.835 -15.987 -2.301 1.00 0.00 C ATOM 911 CG1 VAL A 57 79.498 -16.408 -0.879 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.620 -14.491 -2.486 1.00 0.00 C ATOM 0 H VAL A 57 82.061 -14.460 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 57 81.591 -17.219 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 57 79.163 -16.509 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.474 -16.117 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 57 79.598 -17.489 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.181 -15.920 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.592 -14.236 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.304 -13.942 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.810 -14.222 -3.525 1.00 0.00 H new ATOM 922 N PRO A 58 81.096 -18.123 -4.396 1.00 0.00 N ATOM 923 CA PRO A 58 81.110 -18.663 -5.763 1.00 0.00 C ATOM 924 C PRO A 58 79.964 -18.119 -6.622 1.00 0.00 C ATOM 925 O PRO A 58 78.838 -17.965 -6.152 1.00 0.00 O ATOM 926 CB PRO A 58 80.960 -20.175 -5.553 1.00 0.00 C ATOM 927 CG PRO A 58 80.299 -20.312 -4.224 1.00 0.00 C ATOM 928 CD PRO A 58 80.799 -19.165 -3.394 1.00 0.00 C ATOM 0 HA PRO A 58 82.017 -18.384 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.358 -20.626 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 58 81.929 -20.674 -5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.214 -20.279 -4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 58 80.548 -21.267 -3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.049 -18.831 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 58 81.686 -19.439 -2.823 1.00 0.00 H new ATOM 936 N MET A 59 80.254 -17.858 -7.897 1.00 0.00 N ATOM 937 CA MET A 59 79.257 -17.313 -8.827 1.00 0.00 C ATOM 938 C MET A 59 78.283 -18.383 -9.345 1.00 0.00 C ATOM 939 O MET A 59 77.693 -18.236 -10.416 1.00 0.00 O ATOM 940 CB MET A 59 79.957 -16.634 -10.007 1.00 0.00 C ATOM 941 CG MET A 59 79.823 -15.120 -10.005 1.00 0.00 C ATOM 942 SD MET A 59 81.135 -14.306 -10.937 1.00 0.00 S ATOM 943 CE MET A 59 80.428 -12.674 -11.160 1.00 0.00 C ATOM 0 H MET A 59 81.172 -18.015 -8.313 1.00 0.00 H new ATOM 0 HA MET A 59 78.669 -16.583 -8.272 1.00 0.00 H new ATOM 0 HB2 MET A 59 81.015 -16.897 -9.991 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.545 -17.026 -10.937 1.00 0.00 H new ATOM 0 HG2 MET A 59 78.857 -14.844 -10.428 1.00 0.00 H new ATOM 0 HG3 MET A 59 79.835 -14.759 -8.977 1.00 0.00 H new ATOM 0 HE1 MET A 59 81.108 -12.061 -11.752 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.472 -12.759 -11.677 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.274 -12.208 -10.187 1.00 0.00 H new ATOM 953 N ASN A 60 78.123 -19.462 -8.588 1.00 0.00 N ATOM 954 CA ASN A 60 77.207 -20.538 -8.965 1.00 0.00 C ATOM 955 C ASN A 60 76.332 -20.960 -7.778 1.00 0.00 C ATOM 956 O ASN A 60 75.751 -22.046 -7.774 1.00 0.00 O ATOM 957 CB ASN A 60 77.992 -21.738 -9.497 1.00 0.00 C ATOM 958 CG ASN A 60 77.810 -21.936 -10.991 1.00 0.00 C ATOM 959 OD1 ASN A 60 77.805 -23.059 -11.484 1.00 0.00 O ATOM 960 ND2 ASN A 60 77.663 -20.843 -11.726 1.00 0.00 N ATOM 0 H ASN A 60 78.615 -19.617 -7.708 1.00 0.00 H new ATOM 0 HA ASN A 60 76.552 -20.165 -9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.051 -21.601 -9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.672 -22.639 -8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 60 77.541 -20.920 -12.736 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.672 -19.925 -11.282 1.00 0.00 H new ATOM 967 N SER A 61 76.246 -20.095 -6.768 1.00 0.00 N ATOM 968 CA SER A 61 75.448 -20.380 -5.579 1.00 0.00 C ATOM 969 C SER A 61 74.450 -19.259 -5.280 1.00 0.00 C ATOM 970 O SER A 61 73.598 -19.393 -4.398 1.00 0.00 O ATOM 971 CB SER A 61 76.358 -20.593 -4.366 1.00 0.00 C ATOM 972 OG SER A 61 75.601 -20.866 -3.200 1.00 0.00 O ATOM 0 H SER A 61 76.719 -19.192 -6.751 1.00 0.00 H new ATOM 0 HA SER A 61 74.884 -21.291 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.041 -21.420 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 61 76.970 -19.705 -4.206 1.00 0.00 H new ATOM 0 HG SER A 61 74.713 -20.460 -3.284 1.00 0.00 H new ATOM 978 N LEU A 62 74.559 -18.157 -6.016 1.00 0.00 N ATOM 979 CA LEU A 62 73.676 -17.010 -5.817 1.00 0.00 C ATOM 980 C LEU A 62 73.059 -16.541 -7.136 1.00 0.00 C ATOM 981 O LEU A 62 73.633 -16.741 -8.208 1.00 0.00 O ATOM 982 CB LEU A 62 74.447 -15.863 -5.158 1.00 0.00 C ATOM 983 CG LEU A 62 75.815 -15.554 -5.775 1.00 0.00 C ATOM 984 CD1 LEU A 62 75.750 -14.293 -6.623 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.870 -15.409 -4.687 1.00 0.00 C ATOM 0 H LEU A 62 75.250 -18.033 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 62 72.863 -17.322 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 73.835 -14.962 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.588 -16.100 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 62 76.095 -16.387 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 62 76.732 -14.092 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.025 -14.431 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.446 -13.451 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.835 -15.190 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.592 -14.595 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.939 -16.338 -4.121 1.00 0.00 H new ATOM 997 N ARG A 63 71.887 -15.920 -7.050 1.00 0.00 N ATOM 998 CA ARG A 63 71.186 -15.427 -8.234 1.00 0.00 C ATOM 999 C ARG A 63 71.028 -13.904 -8.200 1.00 0.00 C ATOM 1000 O ARG A 63 70.508 -13.340 -7.233 1.00 0.00 O ATOM 1001 CB ARG A 63 69.804 -16.082 -8.349 1.00 0.00 C ATOM 1002 CG ARG A 63 69.801 -17.576 -8.061 1.00 0.00 C ATOM 1003 CD ARG A 63 68.391 -18.093 -7.817 1.00 0.00 C ATOM 1004 NE ARG A 63 68.267 -19.520 -8.108 1.00 0.00 N ATOM 1005 CZ ARG A 63 67.755 -20.006 -9.229 1.00 0.00 C ATOM 1006 NH1 ARG A 63 67.328 -19.204 -10.173 1.00 0.00 N ATOM 1007 NH2 ARG A 63 67.673 -21.302 -9.404 1.00 0.00 N ATOM 0 H ARG A 63 71.400 -15.745 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 63 71.788 -15.691 -9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 63 69.121 -15.588 -7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 63 69.417 -15.915 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.246 -18.110 -8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.421 -17.781 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.114 -17.910 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 63 67.689 -17.535 -8.437 1.00 0.00 H new ATOM 0 HE ARG A 63 68.595 -20.182 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.388 -18.193 -10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 63 66.936 -19.590 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 63 68.003 -21.937 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 63 67.279 -21.676 -10.267 1.00 0.00 H new ATOM 1021 N LEU A 64 71.479 -13.245 -9.265 1.00 0.00 N ATOM 1022 CA LEU A 64 71.378 -11.789 -9.380 1.00 0.00 C ATOM 1023 C LEU A 64 70.222 -11.418 -10.314 1.00 0.00 C ATOM 1024 O LEU A 64 70.289 -11.650 -11.524 1.00 0.00 O ATOM 1025 CB LEU A 64 72.699 -11.206 -9.906 1.00 0.00 C ATOM 1026 CG LEU A 64 73.938 -11.562 -9.078 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.833 -12.527 -9.839 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.709 -10.305 -8.702 1.00 0.00 C ATOM 0 H LEU A 64 71.920 -13.698 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 64 71.182 -11.368 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 64 72.851 -11.554 -10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.608 -10.121 -9.949 1.00 0.00 H new ATOM 0 HG LEU A 64 73.607 -12.051 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.707 -12.767 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.280 -13.441 -10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.154 -12.066 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 75.585 -10.578 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 64 75.026 -9.788 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 64 74.068 -9.647 -8.114 1.00 0.00 H new ATOM 1040 N LEU A 65 69.161 -10.840 -9.753 1.00 0.00 N ATOM 1041 CA LEU A 65 67.985 -10.476 -10.551 1.00 0.00 C ATOM 1042 C LEU A 65 67.377 -9.127 -10.139 1.00 0.00 C ATOM 1043 O LEU A 65 67.579 -8.647 -9.023 1.00 0.00 O ATOM 1044 CB LEU A 65 66.933 -11.620 -10.525 1.00 0.00 C ATOM 1045 CG LEU A 65 66.000 -11.763 -9.292 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.730 -11.565 -7.973 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.809 -10.820 -9.395 1.00 0.00 C ATOM 0 H LEU A 65 69.088 -10.615 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 65 68.321 -10.345 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.299 -11.503 -11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.469 -12.562 -10.642 1.00 0.00 H new ATOM 0 HG LEU A 65 65.635 -12.790 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.027 -11.677 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.521 -12.309 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.167 -10.567 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.172 -10.941 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.163 -9.791 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.238 -11.052 -10.294 1.00 0.00 H new ATOM 1059 N PHE A 66 66.643 -8.515 -11.067 1.00 0.00 N ATOM 1060 CA PHE A 66 65.993 -7.230 -10.818 1.00 0.00 C ATOM 1061 C PHE A 66 64.555 -7.234 -11.344 1.00 0.00 C ATOM 1062 O PHE A 66 64.326 -7.464 -12.530 1.00 0.00 O ATOM 1063 CB PHE A 66 66.791 -6.095 -11.472 1.00 0.00 C ATOM 1064 CG PHE A 66 66.218 -4.725 -11.233 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.237 -4.163 -9.966 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.665 -3.999 -12.275 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.712 -2.905 -9.743 1.00 0.00 C ATOM 1068 CE2 PHE A 66 65.138 -2.740 -12.058 1.00 0.00 C ATOM 1069 CZ PHE A 66 65.162 -2.191 -10.791 1.00 0.00 C ATOM 0 H PHE A 66 66.483 -8.891 -12.002 1.00 0.00 H new ATOM 0 HA PHE A 66 65.963 -7.067 -9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.814 -6.120 -11.095 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.842 -6.273 -12.546 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.667 -4.715 -9.144 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.645 -4.422 -13.269 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.731 -2.480 -8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.708 -2.186 -12.879 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.752 -1.207 -10.620 1.00 0.00 H new ATOM 1079 N GLU A 67 63.596 -7.000 -10.435 1.00 0.00 N ATOM 1080 CA GLU A 67 62.153 -6.955 -10.753 1.00 0.00 C ATOM 1081 C GLU A 67 61.656 -8.185 -11.545 1.00 0.00 C ATOM 1082 O GLU A 67 60.647 -8.116 -12.249 1.00 0.00 O ATOM 1083 CB GLU A 67 61.791 -5.637 -11.477 1.00 0.00 C ATOM 1084 CG GLU A 67 62.057 -5.620 -12.979 1.00 0.00 C ATOM 1085 CD GLU A 67 60.831 -5.244 -13.792 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.016 -4.434 -13.300 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.688 -5.755 -14.923 1.00 0.00 O ATOM 0 H GLU A 67 63.798 -6.835 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 67 61.629 -6.987 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.734 -5.429 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.352 -4.824 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.859 -4.914 -13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.407 -6.604 -13.292 1.00 0.00 H new ATOM 1094 N GLY A 68 62.346 -9.315 -11.398 1.00 0.00 N ATOM 1095 CA GLY A 68 61.948 -10.531 -12.099 1.00 0.00 C ATOM 1096 C GLY A 68 62.792 -10.824 -13.332 1.00 0.00 C ATOM 1097 O GLY A 68 62.674 -11.893 -13.933 1.00 0.00 O ATOM 0 H GLY A 68 63.172 -9.412 -10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.016 -11.375 -11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.903 -10.444 -12.396 1.00 0.00 H new ATOM 1101 N GLN A 69 63.644 -9.879 -13.712 1.00 0.00 N ATOM 1102 CA GLN A 69 64.500 -10.047 -14.881 1.00 0.00 C ATOM 1103 C GLN A 69 65.936 -10.392 -14.471 1.00 0.00 C ATOM 1104 O GLN A 69 66.505 -9.772 -13.568 1.00 0.00 O ATOM 1105 CB GLN A 69 64.466 -8.769 -15.738 1.00 0.00 C ATOM 1106 CG GLN A 69 65.750 -8.490 -16.511 1.00 0.00 C ATOM 1107 CD GLN A 69 65.690 -8.981 -17.945 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.726 -8.731 -18.664 1.00 0.00 O ATOM 1109 NE2 GLN A 69 66.724 -9.688 -18.372 1.00 0.00 N ATOM 0 H GLN A 69 63.761 -8.989 -13.228 1.00 0.00 H new ATOM 0 HA GLN A 69 64.121 -10.880 -15.473 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.640 -8.843 -16.446 1.00 0.00 H new ATOM 0 HB3 GLN A 69 64.255 -7.918 -15.090 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.946 -7.418 -16.507 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.587 -8.969 -16.002 1.00 0.00 H new ATOM 0 HE21 GLN A 69 67.507 -9.876 -17.746 1.00 0.00 H new ATOM 0 HE22 GLN A 69 66.738 -10.045 -19.327 1.00 0.00 H new ATOM 1118 N ARG A 70 66.507 -11.398 -15.130 1.00 0.00 N ATOM 1119 CA ARG A 70 67.879 -11.827 -14.850 1.00 0.00 C ATOM 1120 C ARG A 70 68.887 -10.826 -15.422 1.00 0.00 C ATOM 1121 O ARG A 70 68.664 -10.238 -16.483 1.00 0.00 O ATOM 1122 CB ARG A 70 68.133 -13.231 -15.420 1.00 0.00 C ATOM 1123 CG ARG A 70 67.905 -13.350 -16.923 1.00 0.00 C ATOM 1124 CD ARG A 70 66.712 -14.242 -17.242 1.00 0.00 C ATOM 1125 NE ARG A 70 65.461 -13.712 -16.698 1.00 0.00 N ATOM 1126 CZ ARG A 70 64.598 -12.988 -17.395 1.00 0.00 C ATOM 1127 NH1 ARG A 70 64.824 -12.711 -18.656 1.00 0.00 N ATOM 1128 NH2 ARG A 70 63.503 -12.541 -16.828 1.00 0.00 N ATOM 0 H ARG A 70 66.041 -11.933 -15.863 1.00 0.00 H new ATOM 0 HA ARG A 70 68.010 -11.865 -13.769 1.00 0.00 H new ATOM 0 HB2 ARG A 70 69.160 -13.521 -15.196 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.483 -13.941 -14.909 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.742 -12.359 -17.346 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.799 -13.755 -17.396 1.00 0.00 H new ATOM 0 HD2 ARG A 70 66.619 -14.348 -18.323 1.00 0.00 H new ATOM 0 HD3 ARG A 70 66.888 -15.239 -16.838 1.00 0.00 H new ATOM 0 HE ARG A 70 65.240 -13.912 -15.723 1.00 0.00 H new ATOM 0 HH11 ARG A 70 65.671 -13.054 -19.110 1.00 0.00 H new ATOM 0 HH12 ARG A 70 64.153 -12.153 -19.184 1.00 0.00 H new ATOM 0 HH21 ARG A 70 63.314 -12.751 -15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 70 62.840 -11.984 -17.367 1.00 0.00 H new ATOM 1142 N ILE A 71 70.000 -10.639 -14.721 1.00 0.00 N ATOM 1143 CA ILE A 71 71.016 -9.688 -15.164 1.00 0.00 C ATOM 1144 C ILE A 71 72.197 -10.378 -15.856 1.00 0.00 C ATOM 1145 O ILE A 71 72.887 -11.216 -15.272 1.00 0.00 O ATOM 1146 CB ILE A 71 71.529 -8.819 -13.985 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.560 -7.668 -13.716 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.920 -8.270 -14.264 1.00 0.00 C ATOM 1149 CD1 ILE A 71 69.836 -7.780 -12.397 1.00 0.00 C ATOM 0 H ILE A 71 70.221 -11.127 -13.853 1.00 0.00 H new ATOM 0 HA ILE A 71 70.531 -9.041 -15.895 1.00 0.00 H new ATOM 0 HB ILE A 71 71.587 -9.456 -13.103 1.00 0.00 H new ATOM 0 HG12 ILE A 71 71.111 -6.728 -13.739 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.826 -7.627 -14.521 1.00 0.00 H new ATOM 0 HG21 ILE A 71 73.249 -7.666 -13.418 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.615 -9.097 -14.412 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.894 -7.653 -15.162 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.167 -6.928 -12.276 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.256 -8.703 -12.377 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.561 -7.790 -11.583 1.00 0.00 H new ATOM 1161 N ALA A 72 72.396 -10.029 -17.122 1.00 0.00 N ATOM 1162 CA ALA A 72 73.499 -10.566 -17.911 1.00 0.00 C ATOM 1163 C ALA A 72 74.659 -9.565 -17.990 1.00 0.00 C ATOM 1164 O ALA A 72 74.461 -8.355 -17.874 1.00 0.00 O ATOM 1165 CB ALA A 72 73.019 -10.933 -19.308 1.00 0.00 C ATOM 0 H ALA A 72 71.803 -9.371 -17.627 1.00 0.00 H new ATOM 0 HA ALA A 72 73.863 -11.466 -17.416 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.852 -11.332 -19.886 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.233 -11.685 -19.237 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.627 -10.045 -19.803 1.00 0.00 H new ATOM 1171 N ASP A 73 75.866 -10.084 -18.204 1.00 0.00 N ATOM 1172 CA ASP A 73 77.076 -9.265 -18.292 1.00 0.00 C ATOM 1173 C ASP A 73 77.071 -8.332 -19.512 1.00 0.00 C ATOM 1174 O ASP A 73 77.695 -7.275 -19.488 1.00 0.00 O ATOM 1175 CB ASP A 73 78.319 -10.164 -18.332 1.00 0.00 C ATOM 1176 CG ASP A 73 78.166 -11.346 -19.273 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.436 -12.298 -18.917 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.764 -11.315 -20.368 1.00 0.00 O ATOM 0 H ASP A 73 76.034 -11.083 -18.321 1.00 0.00 H new ATOM 0 HA ASP A 73 77.099 -8.636 -17.402 1.00 0.00 H new ATOM 0 HB2 ASP A 73 79.180 -9.571 -18.640 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.528 -10.531 -17.327 1.00 0.00 H new ATOM 1183 N ASN A 74 76.357 -8.719 -20.569 1.00 0.00 N ATOM 1184 CA ASN A 74 76.292 -7.909 -21.790 1.00 0.00 C ATOM 1185 C ASN A 74 75.116 -6.923 -21.757 1.00 0.00 C ATOM 1186 O ASN A 74 74.591 -6.529 -22.798 1.00 0.00 O ATOM 1187 CB ASN A 74 76.191 -8.808 -23.028 1.00 0.00 C ATOM 1188 CG ASN A 74 76.863 -8.196 -24.244 1.00 0.00 C ATOM 1189 OD1 ASN A 74 77.451 -7.118 -24.173 1.00 0.00 O ATOM 1190 ND2 ASN A 74 76.780 -8.881 -25.373 1.00 0.00 N ATOM 0 H ASN A 74 75.817 -9.584 -20.607 1.00 0.00 H new ATOM 0 HA ASN A 74 77.213 -7.329 -21.844 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.648 -9.773 -22.811 1.00 0.00 H new ATOM 0 HB3 ASN A 74 75.141 -8.996 -23.253 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.212 -8.518 -26.223 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.284 -9.772 -25.394 1.00 0.00 H new ATOM 1197 N HIS A 75 74.704 -6.530 -20.558 1.00 0.00 N ATOM 1198 CA HIS A 75 73.595 -5.592 -20.395 1.00 0.00 C ATOM 1199 C HIS A 75 74.036 -4.346 -19.631 1.00 0.00 C ATOM 1200 O HIS A 75 75.066 -4.350 -18.956 1.00 0.00 O ATOM 1201 CB HIS A 75 72.446 -6.248 -19.634 1.00 0.00 C ATOM 1202 CG HIS A 75 71.582 -7.153 -20.460 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.773 -8.124 -19.907 1.00 0.00 N ATOM 1204 CD2 HIS A 75 71.384 -7.224 -21.798 1.00 0.00 C ATOM 1205 CE1 HIS A 75 70.116 -8.751 -20.863 1.00 0.00 C ATOM 1206 NE2 HIS A 75 70.467 -8.224 -22.022 1.00 0.00 N ATOM 0 H HIS A 75 75.120 -6.845 -19.682 1.00 0.00 H new ATOM 0 HA HIS A 75 73.264 -5.305 -21.393 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.859 -6.821 -18.804 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.821 -5.466 -19.202 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.858 -6.610 -22.549 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.411 -9.557 -20.722 1.00 0.00 H new ATOM 0 HE2 HIS A 75 70.115 -8.512 -22.935 1.00 0.00 H new ATOM 1214 N THR A 76 73.245 -3.286 -19.748 1.00 0.00 N ATOM 1215 CA THR A 76 73.519 -2.030 -19.048 1.00 0.00 C ATOM 1216 C THR A 76 72.272 -1.581 -18.289 1.00 0.00 C ATOM 1217 O THR A 76 71.149 -1.885 -18.702 1.00 0.00 O ATOM 1218 CB THR A 76 73.953 -0.895 -20.010 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.799 -0.205 -20.507 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.771 -1.431 -21.178 1.00 0.00 C ATOM 0 H THR A 76 72.403 -3.269 -20.324 1.00 0.00 H new ATOM 0 HA THR A 76 74.344 -2.222 -18.362 1.00 0.00 H new ATOM 0 HB THR A 76 74.580 -0.205 -19.446 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.892 -0.065 -21.473 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.057 -0.606 -21.831 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.668 -1.922 -20.799 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.174 -2.149 -21.741 1.00 0.00 H new ATOM 1228 N PRO A 77 72.440 -0.868 -17.156 1.00 0.00 N ATOM 1229 CA PRO A 77 71.306 -0.380 -16.355 1.00 0.00 C ATOM 1230 C PRO A 77 70.335 0.484 -17.163 1.00 0.00 C ATOM 1231 O PRO A 77 69.119 0.391 -16.991 1.00 0.00 O ATOM 1232 CB PRO A 77 71.968 0.456 -15.258 1.00 0.00 C ATOM 1233 CG PRO A 77 73.363 -0.064 -15.166 1.00 0.00 C ATOM 1234 CD PRO A 77 73.736 -0.503 -16.554 1.00 0.00 C ATOM 0 HA PRO A 77 70.703 -1.206 -15.978 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.958 1.517 -15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.443 0.348 -14.309 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.043 0.707 -14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.423 -0.896 -14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.227 0.296 -17.110 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.424 -1.349 -16.537 1.00 0.00 H new ATOM 1242 N LYS A 78 70.873 1.315 -18.058 1.00 0.00 N ATOM 1243 CA LYS A 78 70.041 2.188 -18.889 1.00 0.00 C ATOM 1244 C LYS A 78 69.239 1.383 -19.924 1.00 0.00 C ATOM 1245 O LYS A 78 68.202 1.841 -20.410 1.00 0.00 O ATOM 1246 CB LYS A 78 70.904 3.259 -19.575 1.00 0.00 C ATOM 1247 CG LYS A 78 71.410 2.877 -20.961 1.00 0.00 C ATOM 1248 CD LYS A 78 71.067 3.938 -22.000 1.00 0.00 C ATOM 1249 CE LYS A 78 70.030 3.436 -22.993 1.00 0.00 C ATOM 1250 NZ LYS A 78 68.640 3.601 -22.481 1.00 0.00 N ATOM 0 H LYS A 78 71.875 1.402 -18.226 1.00 0.00 H new ATOM 0 HA LYS A 78 69.324 2.687 -18.237 1.00 0.00 H new ATOM 0 HB2 LYS A 78 70.323 4.178 -19.656 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.761 3.479 -18.938 1.00 0.00 H new ATOM 0 HG2 LYS A 78 72.490 2.736 -20.928 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.973 1.923 -21.257 1.00 0.00 H new ATOM 0 HD2 LYS A 78 70.690 4.830 -21.499 1.00 0.00 H new ATOM 0 HD3 LYS A 78 71.971 4.231 -22.534 1.00 0.00 H new ATOM 0 HE2 LYS A 78 70.137 3.977 -23.933 1.00 0.00 H new ATOM 0 HE3 LYS A 78 70.214 2.384 -23.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 67.964 3.278 -23.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 68.519 3.037 -21.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 68.465 4.604 -22.267 1.00 0.00 H new ATOM 1264 N GLU A 79 69.727 0.189 -20.263 1.00 0.00 N ATOM 1265 CA GLU A 79 69.043 -0.674 -21.225 1.00 0.00 C ATOM 1266 C GLU A 79 68.012 -1.561 -20.525 1.00 0.00 C ATOM 1267 O GLU A 79 66.925 -1.801 -21.050 1.00 0.00 O ATOM 1268 CB GLU A 79 70.055 -1.543 -21.978 1.00 0.00 C ATOM 1269 CG GLU A 79 70.101 -1.273 -23.475 1.00 0.00 C ATOM 1270 CD GLU A 79 71.260 -0.378 -23.880 1.00 0.00 C ATOM 1271 OE1 GLU A 79 72.225 -0.261 -23.090 1.00 0.00 O ATOM 1272 OE2 GLU A 79 71.205 0.200 -24.984 1.00 0.00 O ATOM 0 H GLU A 79 70.591 -0.201 -19.887 1.00 0.00 H new ATOM 0 HA GLU A 79 68.523 -0.036 -21.939 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.047 -1.377 -21.557 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.811 -2.593 -21.815 1.00 0.00 H new ATOM 0 HG2 GLU A 79 70.177 -2.221 -24.008 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.165 -0.808 -23.784 1.00 0.00 H new ATOM 1279 N LEU A 80 68.366 -2.051 -19.334 1.00 0.00 N ATOM 1280 CA LEU A 80 67.474 -2.912 -18.553 1.00 0.00 C ATOM 1281 C LEU A 80 66.312 -2.133 -17.914 1.00 0.00 C ATOM 1282 O LEU A 80 65.340 -2.733 -17.453 1.00 0.00 O ATOM 1283 CB LEU A 80 68.264 -3.638 -17.461 1.00 0.00 C ATOM 1284 CG LEU A 80 69.159 -4.777 -17.955 1.00 0.00 C ATOM 1285 CD1 LEU A 80 69.861 -5.448 -16.784 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.347 -5.794 -18.742 1.00 0.00 C ATOM 0 H LEU A 80 69.265 -1.866 -18.889 1.00 0.00 H new ATOM 0 HA LEU A 80 67.044 -3.634 -19.247 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.884 -2.910 -16.938 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.561 -4.040 -16.732 1.00 0.00 H new ATOM 0 HG LEU A 80 69.916 -4.356 -18.617 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.493 -6.256 -17.153 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.476 -4.716 -16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.117 -5.854 -16.098 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.001 -6.596 -19.084 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.567 -6.210 -18.104 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.889 -5.307 -19.603 1.00 0.00 H new ATOM 1298 N GLY A 81 66.411 -0.804 -17.885 1.00 0.00 N ATOM 1299 CA GLY A 81 65.353 0.005 -17.308 1.00 0.00 C ATOM 1300 C GLY A 81 65.572 0.342 -15.840 1.00 0.00 C ATOM 1301 O GLY A 81 64.623 0.365 -15.056 1.00 0.00 O ATOM 0 H GLY A 81 67.204 -0.276 -18.250 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.266 0.932 -17.875 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.405 -0.523 -17.413 1.00 0.00 H new ATOM 1305 N MET A 82 66.820 0.607 -15.463 1.00 0.00 N ATOM 1306 CA MET A 82 67.137 0.962 -14.079 1.00 0.00 C ATOM 1307 C MET A 82 66.950 2.464 -13.861 1.00 0.00 C ATOM 1308 O MET A 82 67.131 3.264 -14.780 1.00 0.00 O ATOM 1309 CB MET A 82 68.569 0.551 -13.709 1.00 0.00 C ATOM 1310 CG MET A 82 68.658 -0.815 -13.048 1.00 0.00 C ATOM 1311 SD MET A 82 68.719 -2.164 -14.242 1.00 0.00 S ATOM 1312 CE MET A 82 69.505 -3.444 -13.268 1.00 0.00 C ATOM 0 H MET A 82 67.624 0.584 -16.090 1.00 0.00 H new ATOM 0 HA MET A 82 66.451 0.417 -13.430 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.182 0.550 -14.610 1.00 0.00 H new ATOM 0 HB3 MET A 82 68.991 1.299 -13.037 1.00 0.00 H new ATOM 0 HG2 MET A 82 69.547 -0.852 -12.419 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.798 -0.954 -12.393 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.613 -4.345 -13.871 1.00 0.00 H new ATOM 0 HE2 MET A 82 70.489 -3.103 -12.945 1.00 0.00 H new ATOM 0 HE3 MET A 82 68.892 -3.664 -12.394 1.00 0.00 H new ATOM 1322 N GLU A 83 66.593 2.841 -12.642 1.00 0.00 N ATOM 1323 CA GLU A 83 66.364 4.246 -12.316 1.00 0.00 C ATOM 1324 C GLU A 83 67.378 4.750 -11.290 1.00 0.00 C ATOM 1325 O GLU A 83 68.277 4.017 -10.892 1.00 0.00 O ATOM 1326 CB GLU A 83 64.933 4.451 -11.804 1.00 0.00 C ATOM 1327 CG GLU A 83 64.629 3.736 -10.494 1.00 0.00 C ATOM 1328 CD GLU A 83 63.839 2.456 -10.692 1.00 0.00 C ATOM 1329 OE1 GLU A 83 62.591 2.519 -10.674 1.00 0.00 O ATOM 1330 OE2 GLU A 83 64.470 1.392 -10.863 1.00 0.00 O ATOM 0 H GLU A 83 66.455 2.198 -11.862 1.00 0.00 H new ATOM 0 HA GLU A 83 66.495 4.828 -13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 83 64.756 5.518 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.234 4.104 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 83 65.565 3.505 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 83 64.069 4.406 -9.841 1.00 0.00 H new ATOM 1337 N GLU A 84 67.217 6.020 -10.898 1.00 0.00 N ATOM 1338 CA GLU A 84 68.088 6.702 -9.916 1.00 0.00 C ATOM 1339 C GLU A 84 68.692 5.788 -8.830 1.00 0.00 C ATOM 1340 O GLU A 84 69.899 5.830 -8.597 1.00 0.00 O ATOM 1341 CB GLU A 84 67.306 7.835 -9.239 1.00 0.00 C ATOM 1342 CG GLU A 84 67.167 9.088 -10.095 1.00 0.00 C ATOM 1343 CD GLU A 84 65.811 9.190 -10.770 1.00 0.00 C ATOM 1344 OE1 GLU A 84 65.414 8.216 -11.449 1.00 0.00 O ATOM 1345 OE2 GLU A 84 65.149 10.236 -10.619 1.00 0.00 O ATOM 0 H GLU A 84 66.470 6.616 -11.255 1.00 0.00 H new ATOM 0 HA GLU A 84 68.933 7.079 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 84 66.311 7.472 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 84 67.803 8.098 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 84 67.325 9.968 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.948 9.092 -10.855 1.00 0.00 H new ATOM 1352 N GLU A 85 67.865 4.974 -8.153 1.00 0.00 N ATOM 1353 CA GLU A 85 68.364 4.090 -7.094 1.00 0.00 C ATOM 1354 C GLU A 85 69.365 3.048 -7.616 1.00 0.00 C ATOM 1355 O GLU A 85 70.373 2.780 -6.962 1.00 0.00 O ATOM 1356 CB GLU A 85 67.194 3.377 -6.408 1.00 0.00 C ATOM 1357 CG GLU A 85 66.435 4.250 -5.418 1.00 0.00 C ATOM 1358 CD GLU A 85 65.108 4.741 -5.969 1.00 0.00 C ATOM 1359 OE1 GLU A 85 65.053 5.088 -7.170 1.00 0.00 O ATOM 1360 OE2 GLU A 85 64.125 4.779 -5.200 1.00 0.00 O ATOM 0 H GLU A 85 66.861 4.912 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 85 68.891 4.721 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.501 3.022 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.572 2.498 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 85 66.257 3.685 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 85 67.052 5.107 -5.148 1.00 0.00 H new ATOM 1367 N ASP A 86 69.089 2.478 -8.800 1.00 0.00 N ATOM 1368 CA ASP A 86 69.974 1.479 -9.426 1.00 0.00 C ATOM 1369 C ASP A 86 70.305 0.290 -8.499 1.00 0.00 C ATOM 1370 O ASP A 86 71.274 -0.434 -8.732 1.00 0.00 O ATOM 1371 CB ASP A 86 71.259 2.150 -9.914 1.00 0.00 C ATOM 1372 CG ASP A 86 71.525 1.896 -11.384 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.062 2.701 -12.219 1.00 0.00 O ATOM 1374 OD2 ASP A 86 72.193 0.891 -11.702 1.00 0.00 O ATOM 0 H ASP A 86 68.255 2.693 -9.347 1.00 0.00 H new ATOM 0 HA ASP A 86 69.429 1.064 -10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.192 3.224 -9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.101 1.784 -9.327 1.00 0.00 H new ATOM 1379 N VAL A 87 69.497 0.090 -7.459 1.00 0.00 N ATOM 1380 CA VAL A 87 69.737 -0.979 -6.490 1.00 0.00 C ATOM 1381 C VAL A 87 69.264 -2.347 -6.997 1.00 0.00 C ATOM 1382 O VAL A 87 68.106 -2.523 -7.375 1.00 0.00 O ATOM 1383 CB VAL A 87 69.034 -0.670 -5.146 1.00 0.00 C ATOM 1384 CG1 VAL A 87 69.198 -1.818 -4.163 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.563 0.625 -4.548 1.00 0.00 C ATOM 0 H VAL A 87 68.670 0.654 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 87 70.816 -1.024 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 87 67.969 -0.549 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 87 68.694 -1.572 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 87 68.760 -2.723 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 87 70.258 -1.984 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 87 69.056 0.824 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 87 70.635 0.533 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 87 69.378 1.447 -5.239 1.00 0.00 H new ATOM 1395 N ILE A 88 70.189 -3.307 -6.996 1.00 0.00 N ATOM 1396 CA ILE A 88 69.909 -4.675 -7.441 1.00 0.00 C ATOM 1397 C ILE A 88 69.789 -5.620 -6.237 1.00 0.00 C ATOM 1398 O ILE A 88 70.390 -5.376 -5.186 1.00 0.00 O ATOM 1399 CB ILE A 88 71.015 -5.196 -8.392 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.421 -4.107 -9.394 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.549 -6.444 -9.127 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.597 -4.486 -10.272 1.00 0.00 C ATOM 0 H ILE A 88 71.150 -3.161 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 88 68.963 -4.654 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 88 71.886 -5.456 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.566 -3.875 -10.029 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.668 -3.197 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.341 -6.793 -9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 88 70.310 -7.224 -8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.661 -6.210 -9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.823 -3.665 -10.952 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.467 -4.689 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.348 -5.377 -10.848 1.00 0.00 H new ATOM 1414 N GLU A 89 69.017 -6.695 -6.389 1.00 0.00 N ATOM 1415 CA GLU A 89 68.823 -7.656 -5.299 1.00 0.00 C ATOM 1416 C GLU A 89 69.447 -9.018 -5.622 1.00 0.00 C ATOM 1417 O GLU A 89 69.234 -9.576 -6.700 1.00 0.00 O ATOM 1418 CB GLU A 89 67.329 -7.827 -4.988 1.00 0.00 C ATOM 1419 CG GLU A 89 67.055 -8.334 -3.579 1.00 0.00 C ATOM 1420 CD GLU A 89 66.152 -7.405 -2.786 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.154 -6.915 -3.356 1.00 0.00 O ATOM 1422 OE2 GLU A 89 66.448 -7.166 -1.596 1.00 0.00 O ATOM 0 H GLU A 89 68.518 -6.923 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 89 69.329 -7.254 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.826 -6.870 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.894 -8.522 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.595 -9.320 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.001 -8.453 -3.050 1.00 0.00 H new ATOM 1429 N VAL A 90 70.226 -9.544 -4.680 1.00 0.00 N ATOM 1430 CA VAL A 90 70.874 -10.847 -4.851 1.00 0.00 C ATOM 1431 C VAL A 90 70.323 -11.864 -3.850 1.00 0.00 C ATOM 1432 O VAL A 90 70.211 -11.578 -2.657 1.00 0.00 O ATOM 1433 CB VAL A 90 72.405 -10.747 -4.674 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.083 -12.043 -5.097 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.967 -9.573 -5.461 1.00 0.00 C ATOM 0 H VAL A 90 70.426 -9.090 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 90 70.657 -11.179 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 90 72.610 -10.580 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.161 -11.950 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.711 -12.865 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.863 -12.243 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.047 -9.524 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.745 -9.705 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.513 -8.647 -5.108 1.00 0.00 H new ATOM 1445 N TYR A 91 69.982 -13.055 -4.338 1.00 0.00 N ATOM 1446 CA TYR A 91 69.443 -14.105 -3.470 1.00 0.00 C ATOM 1447 C TYR A 91 70.301 -15.368 -3.518 1.00 0.00 C ATOM 1448 O TYR A 91 70.817 -15.744 -4.568 1.00 0.00 O ATOM 1449 CB TYR A 91 67.998 -14.446 -3.858 1.00 0.00 C ATOM 1450 CG TYR A 91 67.000 -13.363 -3.504 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.184 -12.800 -4.476 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.875 -12.906 -2.197 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.274 -11.811 -4.158 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.966 -11.917 -1.872 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.168 -11.374 -2.855 1.00 0.00 C ATOM 1456 OH TYR A 91 64.263 -10.389 -2.535 1.00 0.00 O ATOM 0 H TYR A 91 70.067 -13.318 -5.320 1.00 0.00 H new ATOM 0 HA TYR A 91 69.457 -13.719 -2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 91 67.954 -14.632 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.707 -15.372 -3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.262 -13.141 -5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.498 -13.330 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.648 -11.382 -4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.882 -11.571 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 91 64.314 -10.197 -1.575 1.00 0.00 H new ATOM 1466 N GLN A 92 70.446 -16.019 -2.369 1.00 0.00 N ATOM 1467 CA GLN A 92 71.240 -17.243 -2.267 1.00 0.00 C ATOM 1468 C GLN A 92 70.345 -18.482 -2.355 1.00 0.00 C ATOM 1469 O GLN A 92 69.285 -18.538 -1.730 1.00 0.00 O ATOM 1470 CB GLN A 92 72.029 -17.244 -0.952 1.00 0.00 C ATOM 1471 CG GLN A 92 72.781 -18.540 -0.681 1.00 0.00 C ATOM 1472 CD GLN A 92 74.280 -18.342 -0.559 1.00 0.00 C ATOM 1473 OE1 GLN A 92 74.771 -17.218 -0.481 1.00 0.00 O ATOM 1474 NE2 GLN A 92 75.015 -19.439 -0.545 1.00 0.00 N ATOM 0 H GLN A 92 70.023 -15.720 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 92 71.941 -17.274 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.741 -16.419 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 92 71.341 -17.056 -0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 92 72.403 -18.987 0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 92 72.578 -19.246 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.568 -20.353 -0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 92 76.030 -19.372 -0.467 1.00 0.00 H new ATOM 1483 N GLU A 93 70.773 -19.471 -3.136 1.00 0.00 N ATOM 1484 CA GLU A 93 70.002 -20.703 -3.302 1.00 0.00 C ATOM 1485 C GLU A 93 70.573 -21.839 -2.445 1.00 0.00 C ATOM 1486 O GLU A 93 70.016 -22.183 -1.404 1.00 0.00 O ATOM 1487 CB GLU A 93 69.973 -21.116 -4.776 1.00 0.00 C ATOM 1488 CG GLU A 93 68.725 -21.896 -5.168 1.00 0.00 C ATOM 1489 CD GLU A 93 69.010 -22.982 -6.187 1.00 0.00 C ATOM 1490 OE1 GLU A 93 69.718 -23.951 -5.840 1.00 0.00 O ATOM 1491 OE2 GLU A 93 68.526 -22.862 -7.335 1.00 0.00 O ATOM 0 H GLU A 93 71.646 -19.445 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 93 68.983 -20.508 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.042 -20.222 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 93 70.853 -21.722 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.288 -22.346 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 93 67.984 -21.208 -5.574 1.00 0.00 H new