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 29 GLN : amide:sc= 1.18 K(o=5.2,f=-0.15!) USER MOD Set 1.2: A 51 TYR OH : rot -42:sc= 1.25 USER MOD Set 1.3: A 55 GLN : amide:sc= 1.79 K(o=5.2,f=0.49) USER MOD Set 1.4: A 92 GLN : amide:sc= 0.974 K(o=5.2,f=-0.34) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= -0.02 (180deg=-0.239) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.19) USER MOD Single : A 31 SER OG : rot -49:sc= 0.913 USER MOD Single : A 32 SER OG : rot 112:sc= 1.21 USER MOD Single : A 35 HIS :FLIP no HE2:sc= 0.09 F(o=-0.86,f=0.09) 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 -163:sc= -0.0613 (180deg=-0.407) USER MOD Single : A 41 THR OG1 : rot -55:sc= 1.15 USER MOD Single : A 42 THR OG1 : rot 92:sc= 0.946 USER MOD Single : A 43 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 2.05 (180deg=0.846) USER MOD Single : A 50 SER OG : rot 96:sc= 1.26 USER MOD Single : A 52 CYS SG : rot 73:sc= 0.667 USER MOD Single : A 53 GLN : amide:sc= -0.999! X(o=-1!,f=-0.66) USER MOD Single : A 59 MET CE :methyl 172:sc= 0 (180deg=-0.0687) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.604 K(o=0.6,f=-0.028) USER MOD Single : A 74 ASN : amide:sc= 0.664 K(o=0.66,f=-3.6!) USER MOD Single : A 75 HIS : no HD1:sc= -0.505 K(o=-0.5,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 0.169 (180deg=-0.859!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -72:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 78.707 9.159 -13.988 1.00 0.00 N ATOM 291 CA TYR A 21 78.852 7.999 -13.113 1.00 0.00 C ATOM 292 C TYR A 21 78.048 8.177 -11.822 1.00 0.00 C ATOM 293 O TYR A 21 77.881 9.294 -11.330 1.00 0.00 O ATOM 294 CB TYR A 21 80.338 7.748 -12.798 1.00 0.00 C ATOM 295 CG TYR A 21 80.940 8.709 -11.793 1.00 0.00 C ATOM 296 CD1 TYR A 21 81.179 8.313 -10.481 1.00 0.00 C ATOM 297 CD2 TYR A 21 81.277 10.008 -12.154 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.732 9.183 -9.561 1.00 0.00 C ATOM 299 CE2 TYR A 21 81.830 10.885 -11.239 1.00 0.00 C ATOM 300 CZ TYR A 21 82.055 10.466 -9.944 1.00 0.00 C ATOM 301 OH TYR A 21 82.606 11.335 -9.030 1.00 0.00 O ATOM 0 HA TYR A 21 78.455 7.128 -13.635 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.449 6.731 -12.421 1.00 0.00 H new ATOM 0 HB3 TYR A 21 80.908 7.808 -13.725 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.928 7.308 -10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 21 81.104 10.339 -13.167 1.00 0.00 H new ATOM 0 HE1 TYR A 21 81.910 8.859 -8.546 1.00 0.00 H new ATOM 0 HE2 TYR A 21 82.084 11.892 -11.536 1.00 0.00 H new ATOM 0 HH TYR A 21 82.776 12.199 -9.461 1.00 0.00 H new ATOM 311 N ILE A 22 77.545 7.070 -11.284 1.00 0.00 N ATOM 312 CA ILE A 22 76.755 7.105 -10.053 1.00 0.00 C ATOM 313 C ILE A 22 77.200 6.018 -9.073 1.00 0.00 C ATOM 314 O ILE A 22 77.973 5.124 -9.424 1.00 0.00 O ATOM 315 CB ILE A 22 75.244 6.934 -10.333 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.011 5.935 -11.472 1.00 0.00 C ATOM 317 CG2 ILE A 22 74.607 8.278 -10.663 1.00 0.00 C ATOM 318 CD1 ILE A 22 73.923 4.928 -11.177 1.00 0.00 C ATOM 0 H ILE A 22 77.669 6.138 -11.679 1.00 0.00 H new ATOM 0 HA ILE A 22 76.925 8.086 -9.610 1.00 0.00 H new ATOM 0 HB ILE A 22 74.773 6.540 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 22 74.752 6.483 -12.378 1.00 0.00 H new ATOM 0 HG13 ILE A 22 75.941 5.404 -11.675 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.544 8.139 -10.857 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.736 8.958 -9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.085 8.700 -11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 22 73.812 4.253 -12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.189 4.354 -10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 22 72.982 5.450 -11.003 1.00 0.00 H new ATOM 330 N LYS A 23 76.706 6.102 -7.842 1.00 0.00 N ATOM 331 CA LYS A 23 77.047 5.123 -6.810 1.00 0.00 C ATOM 332 C LYS A 23 75.985 4.026 -6.725 1.00 0.00 C ATOM 333 O LYS A 23 74.960 4.186 -6.060 1.00 0.00 O ATOM 334 CB LYS A 23 77.201 5.809 -5.448 1.00 0.00 C ATOM 335 CG LYS A 23 77.886 7.166 -5.508 1.00 0.00 C ATOM 336 CD LYS A 23 78.026 7.780 -4.124 1.00 0.00 C ATOM 337 CE LYS A 23 78.005 9.301 -4.179 1.00 0.00 C ATOM 338 NZ LYS A 23 79.357 9.885 -3.965 1.00 0.00 N ATOM 0 H LYS A 23 76.069 6.836 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 23 77.997 4.664 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.214 5.932 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.771 5.156 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.872 7.058 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.313 7.836 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 23 77.216 7.428 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.958 7.445 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 77.620 9.624 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 23 77.321 9.682 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 79.373 10.403 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 80.064 9.123 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 79.580 10.538 -4.743 1.00 0.00 H new ATOM 352 N LEU A 24 76.246 2.907 -7.397 1.00 0.00 N ATOM 353 CA LEU A 24 75.320 1.778 -7.414 1.00 0.00 C ATOM 354 C LEU A 24 75.402 0.979 -6.109 1.00 0.00 C ATOM 355 O LEU A 24 76.481 0.811 -5.536 1.00 0.00 O ATOM 356 CB LEU A 24 75.615 0.877 -8.622 1.00 0.00 C ATOM 357 CG LEU A 24 75.780 -0.616 -8.321 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.684 -1.420 -8.999 1.00 0.00 C ATOM 359 CD2 LEU A 24 77.154 -1.101 -8.762 1.00 0.00 C ATOM 0 H LEU A 24 77.097 2.758 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 24 74.305 2.165 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 24 74.807 0.995 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.526 1.234 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 24 75.695 -0.762 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.817 -2.478 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 24 73.712 -1.091 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.736 -1.269 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.253 -2.164 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 24 77.269 -0.942 -9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.925 -0.545 -8.228 1.00 0.00 H new ATOM 371 N LYS A 25 74.255 0.491 -5.644 1.00 0.00 N ATOM 372 CA LYS A 25 74.200 -0.284 -4.407 1.00 0.00 C ATOM 373 C LYS A 25 73.531 -1.640 -4.623 1.00 0.00 C ATOM 374 O LYS A 25 72.444 -1.727 -5.191 1.00 0.00 O ATOM 375 CB LYS A 25 73.448 0.499 -3.327 1.00 0.00 C ATOM 376 CG LYS A 25 73.811 0.089 -1.908 1.00 0.00 C ATOM 377 CD LYS A 25 72.778 0.573 -0.905 1.00 0.00 C ATOM 378 CE LYS A 25 73.378 1.564 0.080 1.00 0.00 C ATOM 379 NZ LYS A 25 72.403 1.962 1.133 1.00 0.00 N ATOM 0 H LYS A 25 73.353 0.618 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 25 75.225 -0.461 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.654 1.562 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.376 0.363 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.893 -0.996 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.789 0.496 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 71.948 1.041 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 25 72.370 -0.279 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 25 74.258 1.122 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 25 73.714 2.451 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 72.809 2.724 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 71.526 2.297 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 72.192 1.143 1.738 1.00 0.00 H new ATOM 393 N VAL A 26 74.190 -2.699 -4.172 1.00 0.00 N ATOM 394 CA VAL A 26 73.647 -4.050 -4.303 1.00 0.00 C ATOM 395 C VAL A 26 73.328 -4.632 -2.925 1.00 0.00 C ATOM 396 O VAL A 26 74.136 -4.532 -1.999 1.00 0.00 O ATOM 397 CB VAL A 26 74.613 -5.004 -5.044 1.00 0.00 C ATOM 398 CG1 VAL A 26 73.852 -6.179 -5.632 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.380 -4.273 -6.139 1.00 0.00 C ATOM 0 H VAL A 26 75.100 -2.652 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 26 72.736 -3.965 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 26 75.334 -5.378 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.547 -6.840 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.356 -6.729 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.106 -5.813 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 26 76.050 -4.970 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.677 -3.861 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.962 -3.464 -5.698 1.00 0.00 H new ATOM 409 N ILE A 27 72.149 -5.236 -2.796 1.00 0.00 N ATOM 410 CA ILE A 27 71.729 -5.828 -1.525 1.00 0.00 C ATOM 411 C ILE A 27 71.955 -7.341 -1.526 1.00 0.00 C ATOM 412 O ILE A 27 71.310 -8.079 -2.277 1.00 0.00 O ATOM 413 CB ILE A 27 70.239 -5.526 -1.217 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.006 -4.017 -1.057 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.786 -6.264 0.038 1.00 0.00 C ATOM 416 CD1 ILE A 27 70.923 -3.354 -0.051 1.00 0.00 C ATOM 0 H ILE A 27 71.469 -5.329 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 27 72.341 -5.374 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 27 69.646 -5.878 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.138 -3.535 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 27 68.972 -3.850 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.738 -6.038 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.904 -7.338 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.392 -5.945 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 27 70.695 -2.290 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 27 70.776 -3.807 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 27 71.960 -3.487 -0.360 1.00 0.00 H new ATOM 428 N GLY A 28 72.880 -7.795 -0.682 1.00 0.00 N ATOM 429 CA GLY A 28 73.188 -9.218 -0.598 1.00 0.00 C ATOM 430 C GLY A 28 72.175 -10.007 0.219 1.00 0.00 C ATOM 431 O GLY A 28 71.282 -9.434 0.845 1.00 0.00 O ATOM 0 H GLY A 28 73.423 -7.204 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.234 -9.633 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.177 -9.343 -0.156 1.00 0.00 H new ATOM 435 N GLN A 29 72.341 -11.329 0.239 1.00 0.00 N ATOM 436 CA GLN A 29 71.433 -12.218 0.976 1.00 0.00 C ATOM 437 C GLN A 29 71.542 -12.008 2.490 1.00 0.00 C ATOM 438 O GLN A 29 70.571 -12.185 3.222 1.00 0.00 O ATOM 439 CB GLN A 29 71.706 -13.696 0.645 1.00 0.00 C ATOM 440 CG GLN A 29 72.791 -13.929 -0.402 1.00 0.00 C ATOM 441 CD GLN A 29 74.193 -13.849 0.178 1.00 0.00 C ATOM 442 OE1 GLN A 29 74.815 -12.791 0.170 1.00 0.00 O ATOM 443 NE2 GLN A 29 74.696 -14.961 0.686 1.00 0.00 N ATOM 0 H GLN A 29 73.097 -11.812 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 29 70.422 -11.963 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.989 -14.212 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.780 -14.152 0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 29 72.646 -14.909 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 29 72.688 -13.190 -1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 29 74.148 -15.821 0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 29 75.633 -14.959 1.090 1.00 0.00 H new ATOM 452 N ASP A 30 72.730 -11.622 2.953 1.00 0.00 N ATOM 453 CA ASP A 30 72.962 -11.389 4.379 1.00 0.00 C ATOM 454 C ASP A 30 72.688 -9.928 4.763 1.00 0.00 C ATOM 455 O ASP A 30 73.254 -9.423 5.734 1.00 0.00 O ATOM 456 CB ASP A 30 74.400 -11.775 4.751 1.00 0.00 C ATOM 457 CG ASP A 30 75.441 -10.933 4.031 1.00 0.00 C ATOM 458 OD1 ASP A 30 75.495 -10.991 2.785 1.00 0.00 O ATOM 459 OD2 ASP A 30 76.198 -10.206 4.711 1.00 0.00 O ATOM 0 H ASP A 30 73.547 -11.464 2.363 1.00 0.00 H new ATOM 0 HA ASP A 30 72.267 -12.016 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.533 -11.667 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.562 -12.826 4.513 1.00 0.00 H new ATOM 464 N SER A 31 71.827 -9.258 3.989 1.00 0.00 N ATOM 465 CA SER A 31 71.470 -7.852 4.230 1.00 0.00 C ATOM 466 C SER A 31 72.696 -6.932 4.150 1.00 0.00 C ATOM 467 O SER A 31 72.776 -5.917 4.842 1.00 0.00 O ATOM 468 CB SER A 31 70.777 -7.694 5.591 1.00 0.00 C ATOM 469 OG SER A 31 70.353 -6.357 5.798 1.00 0.00 O ATOM 0 H SER A 31 71.359 -9.671 3.182 1.00 0.00 H new ATOM 0 HA SER A 31 70.777 -7.554 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.918 -8.363 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.461 -7.989 6.387 1.00 0.00 H new ATOM 0 HG SER A 31 71.094 -5.745 5.607 1.00 0.00 H new ATOM 475 N SER A 32 73.643 -7.292 3.287 1.00 0.00 N ATOM 476 CA SER A 32 74.864 -6.507 3.113 1.00 0.00 C ATOM 477 C SER A 32 74.693 -5.470 2.008 1.00 0.00 C ATOM 478 O SER A 32 74.247 -5.793 0.906 1.00 0.00 O ATOM 479 CB SER A 32 76.046 -7.423 2.784 1.00 0.00 C ATOM 480 OG SER A 32 76.852 -7.651 3.931 1.00 0.00 O ATOM 0 H SER A 32 73.589 -8.122 2.697 1.00 0.00 H new ATOM 0 HA SER A 32 75.064 -5.987 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 32 75.677 -8.374 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.649 -6.974 1.995 1.00 0.00 H new ATOM 0 HG SER A 32 76.775 -8.589 4.203 1.00 0.00 H new ATOM 486 N GLU A 33 75.053 -4.225 2.309 1.00 0.00 N ATOM 487 CA GLU A 33 74.934 -3.135 1.341 1.00 0.00 C ATOM 488 C GLU A 33 76.303 -2.737 0.787 1.00 0.00 C ATOM 489 O GLU A 33 77.126 -2.157 1.495 1.00 0.00 O ATOM 490 CB GLU A 33 74.269 -1.916 1.991 1.00 0.00 C ATOM 491 CG GLU A 33 73.001 -2.240 2.767 1.00 0.00 C ATOM 492 CD GLU A 33 72.484 -1.057 3.561 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.108 -0.039 2.936 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.452 -1.146 4.806 1.00 0.00 O ATOM 0 H GLU A 33 75.429 -3.945 3.215 1.00 0.00 H new ATOM 0 HA GLU A 33 74.315 -3.488 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.983 -1.442 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.031 -1.188 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.229 -2.571 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.197 -3.070 3.445 1.00 0.00 H new ATOM 501 N ILE A 34 76.542 -3.051 -0.483 1.00 0.00 N ATOM 502 CA ILE A 34 77.812 -2.715 -1.125 1.00 0.00 C ATOM 503 C ILE A 34 77.647 -1.540 -2.091 1.00 0.00 C ATOM 504 O ILE A 34 76.836 -1.594 -3.018 1.00 0.00 O ATOM 505 CB ILE A 34 78.404 -3.920 -1.891 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.349 -5.194 -1.033 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.835 -3.628 -2.327 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.223 -5.141 0.204 1.00 0.00 C ATOM 0 H ILE A 34 75.878 -3.535 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 34 78.500 -2.435 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 34 77.800 -4.085 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 34 77.317 -5.371 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.652 -6.045 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.234 -4.488 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.846 -2.755 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.450 -3.432 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.129 -6.076 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 34 80.262 -4.996 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.907 -4.312 0.838 1.00 0.00 H new ATOM 520 N HIS A 35 78.417 -0.477 -1.864 1.00 0.00 N ATOM 521 CA HIS A 35 78.354 0.715 -2.709 1.00 0.00 C ATOM 522 C HIS A 35 79.555 0.795 -3.653 1.00 0.00 C ATOM 523 O HIS A 35 80.702 0.832 -3.213 1.00 0.00 O ATOM 524 CB HIS A 35 78.286 1.978 -1.843 1.00 0.00 C ATOM 525 CG HIS A 35 77.095 2.841 -2.133 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.363 2.990 -3.262 1.00 0.00 N flip ATOM 527 CD2 HIS A 35 76.529 3.684 -1.201 1.00 0.00 C flip ATOM 528 CE1 HIS A 35 75.380 3.910 -2.994 1.00 0.00 C flip ATOM 529 NE2 HIS A 35 75.501 4.313 -1.743 1.00 0.00 N flip ATOM 0 H HIS A 35 79.092 -0.417 -1.102 1.00 0.00 H new ATOM 0 HA HIS A 35 77.451 0.644 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.267 1.688 -0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 35 79.193 2.562 -1.996 1.00 0.00 H new ATOM 0 HD1 HIS A 35 76.514 2.508 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.873 3.811 -0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 35 74.630 4.249 -3.693 1.00 0.00 H new ATOM 537 N PHE A 36 79.278 0.827 -4.955 1.00 0.00 N ATOM 538 CA PHE A 36 80.336 0.904 -5.962 1.00 0.00 C ATOM 539 C PHE A 36 80.025 1.970 -7.016 1.00 0.00 C ATOM 540 O PHE A 36 78.906 2.050 -7.524 1.00 0.00 O ATOM 541 CB PHE A 36 80.518 -0.456 -6.642 1.00 0.00 C ATOM 542 CG PHE A 36 81.783 -1.160 -6.244 1.00 0.00 C ATOM 543 CD1 PHE A 36 81.754 -2.208 -5.337 1.00 0.00 C ATOM 544 CD2 PHE A 36 83.004 -0.777 -6.779 1.00 0.00 C ATOM 545 CE1 PHE A 36 82.917 -2.858 -4.970 1.00 0.00 C ATOM 546 CE2 PHE A 36 84.169 -1.424 -6.415 1.00 0.00 C ATOM 547 CZ PHE A 36 84.126 -2.464 -5.510 1.00 0.00 C ATOM 0 H PHE A 36 78.333 0.801 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 36 81.259 1.183 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.666 -1.091 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.514 -0.316 -7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.811 -2.520 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 36 83.044 0.036 -7.488 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.881 -3.673 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 36 85.113 -1.116 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.036 -2.970 -5.224 1.00 0.00 H new ATOM 557 N LYS A 37 81.022 2.787 -7.342 1.00 0.00 N ATOM 558 CA LYS A 37 80.852 3.846 -8.339 1.00 0.00 C ATOM 559 C LYS A 37 81.032 3.296 -9.755 1.00 0.00 C ATOM 560 O LYS A 37 82.060 2.695 -10.072 1.00 0.00 O ATOM 561 CB LYS A 37 81.846 4.980 -8.086 1.00 0.00 C ATOM 562 CG LYS A 37 81.306 6.065 -7.168 1.00 0.00 C ATOM 563 CD LYS A 37 82.425 6.764 -6.412 1.00 0.00 C ATOM 564 CE LYS A 37 81.878 7.802 -5.444 1.00 0.00 C ATOM 565 NZ LYS A 37 82.885 8.855 -5.135 1.00 0.00 N ATOM 0 H LYS A 37 81.955 2.739 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 37 79.839 4.237 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.755 4.565 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 37 82.125 5.428 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 37 80.750 6.796 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 80.605 5.627 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 37 83.011 6.027 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 37 83.099 7.245 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 37 80.988 8.264 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 37 81.570 7.311 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 82.475 9.544 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 83.724 8.417 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.160 9.340 -6.013 1.00 0.00 H new ATOM 579 N VAL A 38 80.029 3.509 -10.602 1.00 0.00 N ATOM 580 CA VAL A 38 80.075 3.021 -11.979 1.00 0.00 C ATOM 581 C VAL A 38 79.194 3.868 -12.909 1.00 0.00 C ATOM 582 O VAL A 38 78.327 4.616 -12.449 1.00 0.00 O ATOM 583 CB VAL A 38 79.642 1.531 -12.039 1.00 0.00 C ATOM 584 CG1 VAL A 38 78.126 1.393 -12.085 1.00 0.00 C ATOM 585 CG2 VAL A 38 80.287 0.819 -13.221 1.00 0.00 C ATOM 0 H VAL A 38 79.176 4.015 -10.361 1.00 0.00 H new ATOM 0 HA VAL A 38 81.105 3.107 -12.326 1.00 0.00 H new ATOM 0 HB VAL A 38 79.991 1.052 -11.124 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.858 0.337 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 38 77.692 1.843 -11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.741 1.900 -12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.966 -0.222 -13.238 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.986 1.307 -14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 81.372 0.863 -13.124 1.00 0.00 H new ATOM 595 N LYS A 39 79.433 3.762 -14.216 1.00 0.00 N ATOM 596 CA LYS A 39 78.653 4.510 -15.201 1.00 0.00 C ATOM 597 C LYS A 39 77.337 3.790 -15.511 1.00 0.00 C ATOM 598 O LYS A 39 77.238 2.568 -15.375 1.00 0.00 O ATOM 599 CB LYS A 39 79.461 4.706 -16.486 1.00 0.00 C ATOM 600 CG LYS A 39 80.364 5.927 -16.460 1.00 0.00 C ATOM 601 CD LYS A 39 80.655 6.434 -17.864 1.00 0.00 C ATOM 602 CE LYS A 39 81.292 7.816 -17.839 1.00 0.00 C ATOM 603 NZ LYS A 39 81.640 8.291 -19.206 1.00 0.00 N ATOM 0 H LYS A 39 80.158 3.167 -14.616 1.00 0.00 H new ATOM 0 HA LYS A 39 78.421 5.488 -14.779 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.070 3.819 -16.661 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.773 4.792 -17.327 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.892 6.718 -15.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 81.300 5.678 -15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.319 5.736 -18.373 1.00 0.00 H new ATOM 0 HD3 LYS A 39 79.729 6.470 -18.438 1.00 0.00 H new ATOM 0 HE2 LYS A 39 80.607 8.523 -17.372 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.191 7.790 -17.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.071 9.235 -19.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.314 7.630 -19.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 80.778 8.340 -19.786 1.00 0.00 H new ATOM 617 N MET A 40 76.339 4.550 -15.953 1.00 0.00 N ATOM 618 CA MET A 40 75.021 3.992 -16.265 1.00 0.00 C ATOM 619 C MET A 40 75.021 3.141 -17.550 1.00 0.00 C ATOM 620 O MET A 40 74.093 2.365 -17.781 1.00 0.00 O ATOM 621 CB MET A 40 73.997 5.120 -16.400 1.00 0.00 C ATOM 622 CG MET A 40 73.236 5.413 -15.115 1.00 0.00 C ATOM 623 SD MET A 40 72.149 4.059 -14.613 1.00 0.00 S ATOM 624 CE MET A 40 70.944 4.027 -15.944 1.00 0.00 C ATOM 0 H MET A 40 76.415 5.556 -16.104 1.00 0.00 H new ATOM 0 HA MET A 40 74.753 3.333 -15.439 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.509 6.026 -16.723 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.284 4.860 -17.183 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.949 5.615 -14.315 1.00 0.00 H new ATOM 0 HG3 MET A 40 72.642 6.317 -15.249 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.065 3.466 -15.626 1.00 0.00 H new ATOM 0 HE2 MET A 40 70.652 5.047 -16.195 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.382 3.549 -16.820 1.00 0.00 H new ATOM 634 N THR A 41 76.055 3.284 -18.388 1.00 0.00 N ATOM 635 CA THR A 41 76.132 2.523 -19.640 1.00 0.00 C ATOM 636 C THR A 41 77.182 1.399 -19.579 1.00 0.00 C ATOM 637 O THR A 41 77.623 0.889 -20.612 1.00 0.00 O ATOM 638 CB THR A 41 76.455 3.455 -20.832 1.00 0.00 C ATOM 639 OG1 THR A 41 76.495 2.706 -22.052 1.00 0.00 O ATOM 640 CG2 THR A 41 77.784 4.169 -20.624 1.00 0.00 C ATOM 0 H THR A 41 76.842 3.912 -18.224 1.00 0.00 H new ATOM 0 HA THR A 41 75.153 2.066 -19.783 1.00 0.00 H new ATOM 0 HB THR A 41 75.666 4.204 -20.895 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.126 1.962 -21.959 1.00 0.00 H new ATOM 0 HG21 THR A 41 77.986 4.817 -21.477 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.736 4.769 -19.715 1.00 0.00 H new ATOM 0 HG23 THR A 41 78.582 3.432 -20.531 1.00 0.00 H new ATOM 648 N THR A 42 77.568 1.004 -18.371 1.00 0.00 N ATOM 649 CA THR A 42 78.569 -0.055 -18.195 1.00 0.00 C ATOM 650 C THR A 42 77.937 -1.448 -18.222 1.00 0.00 C ATOM 651 O THR A 42 76.761 -1.617 -17.896 1.00 0.00 O ATOM 652 CB THR A 42 79.340 0.111 -16.870 1.00 0.00 C ATOM 653 OG1 THR A 42 79.377 1.489 -16.489 1.00 0.00 O ATOM 654 CG2 THR A 42 80.764 -0.417 -16.996 1.00 0.00 C ATOM 0 H THR A 42 77.209 1.395 -17.500 1.00 0.00 H new ATOM 0 HA THR A 42 79.260 0.039 -19.033 1.00 0.00 H new ATOM 0 HB THR A 42 78.819 -0.465 -16.105 1.00 0.00 H new ATOM 0 HG1 THR A 42 78.618 1.686 -15.902 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.285 -0.288 -16.048 1.00 0.00 H new ATOM 0 HG22 THR A 42 80.738 -1.476 -17.254 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.289 0.134 -17.776 1.00 0.00 H new ATOM 662 N HIS A 43 78.731 -2.444 -18.614 1.00 0.00 N ATOM 663 CA HIS A 43 78.265 -3.831 -18.677 1.00 0.00 C ATOM 664 C HIS A 43 78.190 -4.441 -17.274 1.00 0.00 C ATOM 665 O HIS A 43 78.934 -4.040 -16.378 1.00 0.00 O ATOM 666 CB HIS A 43 79.195 -4.663 -19.559 1.00 0.00 C ATOM 667 CG HIS A 43 78.786 -4.696 -21.002 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.654 -5.017 -22.023 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.593 -4.445 -21.593 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.018 -4.961 -23.179 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.765 -4.616 -22.947 1.00 0.00 N ATOM 0 H HIS A 43 79.704 -2.316 -18.894 1.00 0.00 H new ATOM 0 HA HIS A 43 77.265 -3.836 -19.112 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.206 -4.262 -19.486 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.228 -5.683 -19.176 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.678 -4.163 -21.094 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.449 -5.163 -24.148 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.042 -4.496 -23.656 1.00 0.00 H new ATOM 679 N LEU A 44 77.311 -5.424 -17.090 1.00 0.00 N ATOM 680 CA LEU A 44 77.138 -6.049 -15.778 1.00 0.00 C ATOM 681 C LEU A 44 78.283 -7.002 -15.383 1.00 0.00 C ATOM 682 O LEU A 44 78.393 -7.365 -14.211 1.00 0.00 O ATOM 683 CB LEU A 44 75.789 -6.765 -15.711 1.00 0.00 C ATOM 684 CG LEU A 44 74.735 -6.072 -14.837 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.712 -4.570 -15.089 1.00 0.00 C ATOM 686 CD2 LEU A 44 73.362 -6.665 -15.089 1.00 0.00 C ATOM 0 H LEU A 44 76.712 -5.803 -17.824 1.00 0.00 H new ATOM 0 HA LEU A 44 77.164 -5.241 -15.047 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.395 -6.862 -16.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.948 -7.775 -15.332 1.00 0.00 H new ATOM 0 HG LEU A 44 75.005 -6.238 -13.794 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.956 -4.106 -14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.689 -4.147 -14.856 1.00 0.00 H new ATOM 0 HD13 LEU A 44 74.475 -4.380 -16.136 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.627 -6.161 -14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 44 73.095 -6.532 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.376 -7.728 -14.850 1.00 0.00 H new ATOM 698 N LYS A 45 79.133 -7.409 -16.339 1.00 0.00 N ATOM 699 CA LYS A 45 80.255 -8.314 -16.042 1.00 0.00 C ATOM 700 C LYS A 45 81.145 -7.757 -14.927 1.00 0.00 C ATOM 701 O LYS A 45 81.435 -8.444 -13.948 1.00 0.00 O ATOM 702 CB LYS A 45 81.109 -8.562 -17.294 1.00 0.00 C ATOM 703 CG LYS A 45 80.388 -8.307 -18.606 1.00 0.00 C ATOM 704 CD LYS A 45 81.065 -9.024 -19.763 1.00 0.00 C ATOM 705 CE LYS A 45 80.432 -8.655 -21.096 1.00 0.00 C ATOM 706 NZ LYS A 45 81.211 -9.192 -22.246 1.00 0.00 N ATOM 0 H LYS A 45 79.066 -7.128 -17.317 1.00 0.00 H new ATOM 0 HA LYS A 45 79.822 -9.257 -15.708 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.992 -7.924 -17.249 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.460 -9.594 -17.281 1.00 0.00 H new ATOM 0 HG2 LYS A 45 79.354 -8.641 -18.525 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.362 -7.236 -18.806 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.125 -8.770 -19.780 1.00 0.00 H new ATOM 0 HD3 LYS A 45 80.998 -10.102 -19.613 1.00 0.00 H new ATOM 0 HE2 LYS A 45 79.414 -9.042 -21.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.364 -7.570 -21.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 80.748 -8.920 -23.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 82.175 -8.803 -22.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 81.255 -10.229 -22.182 1.00 0.00 H new ATOM 720 N LYS A 46 81.569 -6.504 -15.079 1.00 0.00 N ATOM 721 CA LYS A 46 82.422 -5.852 -14.084 1.00 0.00 C ATOM 722 C LYS A 46 81.604 -5.372 -12.883 1.00 0.00 C ATOM 723 O LYS A 46 82.146 -5.151 -11.797 1.00 0.00 O ATOM 724 CB LYS A 46 83.163 -4.671 -14.716 1.00 0.00 C ATOM 725 CG LYS A 46 84.584 -5.002 -15.142 1.00 0.00 C ATOM 726 CD LYS A 46 85.565 -4.843 -13.991 1.00 0.00 C ATOM 727 CE LYS A 46 86.405 -3.583 -14.143 1.00 0.00 C ATOM 728 NZ LYS A 46 87.218 -3.308 -12.927 1.00 0.00 N ATOM 0 H LYS A 46 81.336 -5.919 -15.881 1.00 0.00 H new ATOM 0 HA LYS A 46 83.148 -6.585 -13.731 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.603 -4.325 -15.585 1.00 0.00 H new ATOM 0 HB3 LYS A 46 83.189 -3.846 -14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.623 -6.025 -15.516 1.00 0.00 H new ATOM 0 HG3 LYS A 46 84.879 -4.351 -15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 46 85.019 -4.806 -13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 46 86.219 -5.714 -13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 46 87.064 -3.688 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.752 -2.733 -14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 87.776 -2.442 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.588 -3.182 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 87.859 -4.107 -12.750 1.00 0.00 H new ATOM 742 N LEU A 47 80.299 -5.217 -13.085 1.00 0.00 N ATOM 743 CA LEU A 47 79.395 -4.766 -12.029 1.00 0.00 C ATOM 744 C LEU A 47 79.190 -5.853 -10.967 1.00 0.00 C ATOM 745 O LEU A 47 79.423 -5.622 -9.778 1.00 0.00 O ATOM 746 CB LEU A 47 78.048 -4.367 -12.637 1.00 0.00 C ATOM 747 CG LEU A 47 77.229 -3.369 -11.817 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.907 -2.137 -12.645 1.00 0.00 C ATOM 749 CD2 LEU A 47 75.951 -4.023 -11.313 1.00 0.00 C ATOM 0 H LEU A 47 79.840 -5.399 -13.978 1.00 0.00 H new ATOM 0 HA LEU A 47 79.846 -3.902 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 47 78.226 -3.941 -13.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.452 -5.268 -12.781 1.00 0.00 H new ATOM 0 HG LEU A 47 77.821 -3.058 -10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.324 -1.438 -12.046 1.00 0.00 H new ATOM 0 HD12 LEU A 47 77.834 -1.659 -12.961 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.332 -2.429 -13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 47 75.378 -3.301 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.355 -4.360 -12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 76.203 -4.877 -10.685 1.00 0.00 H new ATOM 761 N LYS A 48 78.765 -7.040 -11.402 1.00 0.00 N ATOM 762 CA LYS A 48 78.537 -8.157 -10.481 1.00 0.00 C ATOM 763 C LYS A 48 79.851 -8.653 -9.877 1.00 0.00 C ATOM 764 O LYS A 48 79.911 -8.995 -8.694 1.00 0.00 O ATOM 765 CB LYS A 48 77.824 -9.310 -11.198 1.00 0.00 C ATOM 766 CG LYS A 48 76.374 -9.014 -11.542 1.00 0.00 C ATOM 767 CD LYS A 48 76.052 -9.382 -12.983 1.00 0.00 C ATOM 768 CE LYS A 48 75.999 -10.889 -13.178 1.00 0.00 C ATOM 769 NZ LYS A 48 75.702 -11.256 -14.592 1.00 0.00 N ATOM 0 H LYS A 48 78.572 -7.253 -12.381 1.00 0.00 H new ATOM 0 HA LYS A 48 77.902 -7.795 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.365 -9.545 -12.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 77.864 -10.198 -10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 75.720 -9.569 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.171 -7.955 -11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.095 -8.944 -13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.805 -8.955 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.952 -11.327 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.236 -11.313 -12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 75.021 -12.042 -14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.297 -10.435 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.580 -11.547 -15.067 1.00 0.00 H new ATOM 783 N GLU A 49 80.911 -8.668 -10.692 1.00 0.00 N ATOM 784 CA GLU A 49 82.232 -9.110 -10.240 1.00 0.00 C ATOM 785 C GLU A 49 82.781 -8.200 -9.134 1.00 0.00 C ATOM 786 O GLU A 49 83.604 -8.623 -8.320 1.00 0.00 O ATOM 787 CB GLU A 49 83.211 -9.145 -11.416 1.00 0.00 C ATOM 788 CG GLU A 49 83.845 -10.510 -11.650 1.00 0.00 C ATOM 789 CD GLU A 49 83.963 -10.856 -13.122 1.00 0.00 C ATOM 790 OE1 GLU A 49 83.018 -11.463 -13.667 1.00 0.00 O ATOM 791 OE2 GLU A 49 85.001 -10.521 -13.731 1.00 0.00 O ATOM 0 H GLU A 49 80.878 -8.378 -11.669 1.00 0.00 H new ATOM 0 HA GLU A 49 82.122 -10.114 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.687 -8.838 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.000 -8.414 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.836 -10.528 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.250 -11.273 -11.148 1.00 0.00 H new ATOM 798 N SER A 50 82.322 -6.950 -9.111 1.00 0.00 N ATOM 799 CA SER A 50 82.759 -5.990 -8.099 1.00 0.00 C ATOM 800 C SER A 50 82.101 -6.300 -6.755 1.00 0.00 C ATOM 801 O SER A 50 82.746 -6.263 -5.708 1.00 0.00 O ATOM 802 CB SER A 50 82.415 -4.562 -8.529 1.00 0.00 C ATOM 803 OG SER A 50 83.224 -4.146 -9.617 1.00 0.00 O ATOM 0 H SER A 50 81.648 -6.579 -9.781 1.00 0.00 H new ATOM 0 HA SER A 50 83.841 -6.073 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.364 -4.508 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.554 -3.883 -7.688 1.00 0.00 H new ATOM 0 HG SER A 50 82.741 -4.290 -10.458 1.00 0.00 H new ATOM 809 N TYR A 51 80.809 -6.609 -6.805 1.00 0.00 N ATOM 810 CA TYR A 51 80.039 -6.943 -5.601 1.00 0.00 C ATOM 811 C TYR A 51 80.476 -8.290 -4.989 1.00 0.00 C ATOM 812 O TYR A 51 80.712 -8.380 -3.782 1.00 0.00 O ATOM 813 CB TYR A 51 78.526 -6.960 -5.916 1.00 0.00 C ATOM 814 CG TYR A 51 77.725 -7.931 -5.072 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.416 -7.644 -3.750 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.289 -9.140 -5.600 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.698 -8.533 -2.977 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.569 -10.034 -4.833 1.00 0.00 C ATOM 819 CZ TYR A 51 76.276 -9.726 -3.522 1.00 0.00 C ATOM 820 OH TYR A 51 75.568 -10.616 -2.748 1.00 0.00 O ATOM 0 H TYR A 51 80.267 -6.636 -7.669 1.00 0.00 H new ATOM 0 HA TYR A 51 80.241 -6.169 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.126 -5.956 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.388 -7.211 -6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.743 -6.709 -3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.517 -9.384 -6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.468 -8.295 -1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.237 -10.970 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 51 75.969 -10.664 -1.855 1.00 0.00 H new ATOM 830 N CYS A 52 80.592 -9.330 -5.821 1.00 0.00 N ATOM 831 CA CYS A 52 80.978 -10.670 -5.345 1.00 0.00 C ATOM 832 C CYS A 52 82.378 -10.699 -4.723 1.00 0.00 C ATOM 833 O CYS A 52 82.621 -11.441 -3.768 1.00 0.00 O ATOM 834 CB CYS A 52 80.905 -11.699 -6.480 1.00 0.00 C ATOM 835 SG CYS A 52 79.309 -11.752 -7.331 1.00 0.00 S ATOM 0 H CYS A 52 80.425 -9.274 -6.826 1.00 0.00 H new ATOM 0 HA CYS A 52 80.262 -10.930 -4.566 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.685 -11.476 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.121 -12.687 -6.074 1.00 0.00 H new ATOM 0 HG CYS A 52 79.180 -10.695 -8.077 1.00 0.00 H new ATOM 841 N GLN A 53 83.296 -9.891 -5.256 1.00 0.00 N ATOM 842 CA GLN A 53 84.669 -9.847 -4.745 1.00 0.00 C ATOM 843 C GLN A 53 84.745 -9.223 -3.344 1.00 0.00 C ATOM 844 O GLN A 53 85.705 -9.454 -2.609 1.00 0.00 O ATOM 845 CB GLN A 53 85.581 -9.090 -5.723 1.00 0.00 C ATOM 846 CG GLN A 53 85.735 -7.607 -5.416 1.00 0.00 C ATOM 847 CD GLN A 53 86.396 -6.839 -6.544 1.00 0.00 C ATOM 848 OE1 GLN A 53 87.330 -6.072 -6.327 1.00 0.00 O ATOM 849 NE2 GLN A 53 85.916 -7.037 -7.762 1.00 0.00 N ATOM 0 H GLN A 53 83.116 -9.261 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 53 85.017 -10.876 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.567 -9.555 -5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.184 -9.201 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 53 84.753 -7.178 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.325 -7.488 -4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.139 -7.682 -7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.323 -6.545 -8.557 1.00 0.00 H new ATOM 858 N ARG A 54 83.731 -8.436 -2.977 1.00 0.00 N ATOM 859 CA ARG A 54 83.698 -7.797 -1.661 1.00 0.00 C ATOM 860 C ARG A 54 83.398 -8.822 -0.566 1.00 0.00 C ATOM 861 O ARG A 54 84.051 -8.844 0.476 1.00 0.00 O ATOM 862 CB ARG A 54 82.652 -6.682 -1.635 1.00 0.00 C ATOM 863 CG ARG A 54 83.210 -5.316 -2.009 1.00 0.00 C ATOM 864 CD ARG A 54 83.913 -4.657 -0.832 1.00 0.00 C ATOM 865 NE ARG A 54 82.975 -3.991 0.068 1.00 0.00 N ATOM 866 CZ ARG A 54 83.341 -3.258 1.106 1.00 0.00 C ATOM 867 NH1 ARG A 54 84.610 -3.085 1.385 1.00 0.00 N ATOM 868 NH2 ARG A 54 82.436 -2.694 1.867 1.00 0.00 N ATOM 0 H ARG A 54 82.927 -8.227 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 54 84.680 -7.365 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 54 81.845 -6.936 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.216 -6.627 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.910 -5.423 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 54 82.400 -4.674 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.473 -5.410 -0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.636 -3.931 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 54 81.977 -4.098 -0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.324 -3.517 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 54 84.883 -2.518 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.445 -2.820 1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 54 82.722 -2.129 2.667 1.00 0.00 H new ATOM 882 N GLN A 55 82.395 -9.664 -0.807 1.00 0.00 N ATOM 883 CA GLN A 55 82.019 -10.708 0.152 1.00 0.00 C ATOM 884 C GLN A 55 82.981 -11.902 0.090 1.00 0.00 C ATOM 885 O GLN A 55 83.356 -12.456 1.125 1.00 0.00 O ATOM 886 CB GLN A 55 80.585 -11.197 -0.104 1.00 0.00 C ATOM 887 CG GLN A 55 79.579 -10.092 -0.398 1.00 0.00 C ATOM 888 CD GLN A 55 78.168 -10.477 0.004 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.380 -10.943 -0.815 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.839 -10.287 1.271 1.00 0.00 N ATOM 0 H GLN A 55 81.828 -9.646 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 55 82.077 -10.264 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.597 -11.892 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.245 -11.756 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.872 -9.186 0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.600 -9.858 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.521 -9.898 1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 76.904 -10.530 1.597 1.00 0.00 H new ATOM 899 N GLY A 56 83.373 -12.299 -1.120 1.00 0.00 N ATOM 900 CA GLY A 56 84.279 -13.424 -1.279 1.00 0.00 C ATOM 901 C GLY A 56 83.560 -14.690 -1.719 1.00 0.00 C ATOM 902 O GLY A 56 83.901 -15.789 -1.287 1.00 0.00 O ATOM 0 H GLY A 56 83.079 -11.861 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.044 -13.170 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.792 -13.610 -0.335 1.00 0.00 H new ATOM 906 N VAL A 57 82.567 -14.528 -2.590 1.00 0.00 N ATOM 907 CA VAL A 57 81.787 -15.662 -3.087 1.00 0.00 C ATOM 908 C VAL A 57 81.708 -15.655 -4.615 1.00 0.00 C ATOM 909 O VAL A 57 81.674 -14.593 -5.238 1.00 0.00 O ATOM 910 CB VAL A 57 80.351 -15.667 -2.512 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.295 -16.466 -1.218 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.843 -14.248 -2.291 1.00 0.00 C ATOM 0 H VAL A 57 82.282 -13.624 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 57 82.305 -16.561 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 57 79.698 -16.146 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.277 -16.458 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.601 -17.494 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.967 -16.019 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.831 -14.283 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.498 -13.733 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.836 -13.712 -3.240 1.00 0.00 H new ATOM 922 N PRO A 58 81.688 -16.847 -5.240 1.00 0.00 N ATOM 923 CA PRO A 58 81.605 -16.973 -6.699 1.00 0.00 C ATOM 924 C PRO A 58 80.181 -16.769 -7.229 1.00 0.00 C ATOM 925 O PRO A 58 79.217 -16.745 -6.461 1.00 0.00 O ATOM 926 CB PRO A 58 82.068 -18.409 -6.942 1.00 0.00 C ATOM 927 CG PRO A 58 81.651 -19.147 -5.714 1.00 0.00 C ATOM 928 CD PRO A 58 81.761 -18.165 -4.576 1.00 0.00 C ATOM 0 HA PRO A 58 82.201 -16.218 -7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 58 81.605 -18.830 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 58 83.147 -18.459 -7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 58 80.631 -19.518 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.291 -20.013 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.953 -18.295 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.697 -18.287 -4.031 1.00 0.00 H new ATOM 936 N MET A 59 80.052 -16.651 -8.549 1.00 0.00 N ATOM 937 CA MET A 59 78.745 -16.442 -9.183 1.00 0.00 C ATOM 938 C MET A 59 77.967 -17.756 -9.345 1.00 0.00 C ATOM 939 O MET A 59 77.034 -17.840 -10.142 1.00 0.00 O ATOM 940 CB MET A 59 78.924 -15.770 -10.546 1.00 0.00 C ATOM 941 CG MET A 59 78.809 -14.253 -10.499 1.00 0.00 C ATOM 942 SD MET A 59 80.412 -13.435 -10.596 1.00 0.00 S ATOM 943 CE MET A 59 80.144 -12.335 -11.985 1.00 0.00 C ATOM 0 H MET A 59 80.834 -16.696 -9.203 1.00 0.00 H new ATOM 0 HA MET A 59 78.164 -15.793 -8.528 1.00 0.00 H new ATOM 0 HB2 MET A 59 79.900 -16.039 -10.949 1.00 0.00 H new ATOM 0 HB3 MET A 59 78.176 -16.161 -11.235 1.00 0.00 H new ATOM 0 HG2 MET A 59 78.181 -13.914 -11.323 1.00 0.00 H new ATOM 0 HG3 MET A 59 78.310 -13.958 -9.576 1.00 0.00 H new ATOM 0 HE1 MET A 59 80.993 -11.659 -12.083 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.039 -12.921 -12.898 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.236 -11.755 -11.820 1.00 0.00 H new ATOM 953 N ASN A 60 78.355 -18.775 -8.585 1.00 0.00 N ATOM 954 CA ASN A 60 77.685 -20.075 -8.639 1.00 0.00 C ATOM 955 C ASN A 60 76.955 -20.373 -7.328 1.00 0.00 C ATOM 956 O ASN A 60 76.452 -21.478 -7.117 1.00 0.00 O ATOM 957 CB ASN A 60 78.692 -21.190 -8.942 1.00 0.00 C ATOM 958 CG ASN A 60 78.854 -21.431 -10.430 1.00 0.00 C ATOM 959 OD1 ASN A 60 79.715 -20.843 -11.076 1.00 0.00 O ATOM 960 ND2 ASN A 60 78.025 -22.303 -10.984 1.00 0.00 N ATOM 0 H ASN A 60 79.130 -18.728 -7.923 1.00 0.00 H new ATOM 0 HA ASN A 60 76.949 -20.036 -9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.659 -20.930 -8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.366 -22.112 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.090 -22.506 -11.982 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.322 -22.772 -10.413 1.00 0.00 H new ATOM 967 N SER A 61 76.896 -19.380 -6.445 1.00 0.00 N ATOM 968 CA SER A 61 76.224 -19.543 -5.158 1.00 0.00 C ATOM 969 C SER A 61 75.043 -18.577 -5.021 1.00 0.00 C ATOM 970 O SER A 61 74.018 -18.916 -4.425 1.00 0.00 O ATOM 971 CB SER A 61 77.218 -19.346 -4.005 1.00 0.00 C ATOM 972 OG SER A 61 76.547 -19.078 -2.787 1.00 0.00 O ATOM 0 H SER A 61 77.303 -18.457 -6.595 1.00 0.00 H new ATOM 0 HA SER A 61 75.831 -20.559 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.832 -20.240 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.892 -18.522 -4.240 1.00 0.00 H new ATOM 0 HG SER A 61 77.205 -18.959 -2.071 1.00 0.00 H new ATOM 978 N LEU A 62 75.175 -17.389 -5.607 1.00 0.00 N ATOM 979 CA LEU A 62 74.120 -16.380 -5.535 1.00 0.00 C ATOM 980 C LEU A 62 73.781 -15.831 -6.920 1.00 0.00 C ATOM 981 O LEU A 62 74.648 -15.723 -7.787 1.00 0.00 O ATOM 982 CB LEU A 62 74.540 -15.231 -4.610 1.00 0.00 C ATOM 983 CG LEU A 62 76.032 -15.171 -4.267 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.671 -13.929 -4.869 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.230 -15.197 -2.759 1.00 0.00 C ATOM 0 H LEU A 62 75.999 -17.102 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 62 73.230 -16.861 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.255 -14.289 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 62 73.975 -15.310 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 62 76.520 -16.047 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.730 -13.905 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.559 -13.951 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.182 -13.039 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.295 -15.154 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.728 -14.339 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.809 -16.117 -2.353 1.00 0.00 H new ATOM 997 N ARG A 63 72.513 -15.485 -7.117 1.00 0.00 N ATOM 998 CA ARG A 63 72.054 -14.948 -8.394 1.00 0.00 C ATOM 999 C ARG A 63 71.538 -13.516 -8.235 1.00 0.00 C ATOM 1000 O ARG A 63 70.880 -13.183 -7.247 1.00 0.00 O ATOM 1001 CB ARG A 63 70.964 -15.842 -8.998 1.00 0.00 C ATOM 1002 CG ARG A 63 69.799 -16.120 -8.059 1.00 0.00 C ATOM 1003 CD ARG A 63 68.870 -17.185 -8.621 1.00 0.00 C ATOM 1004 NE ARG A 63 67.484 -16.733 -8.675 1.00 0.00 N ATOM 1005 CZ ARG A 63 66.461 -17.515 -8.982 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.649 -18.785 -9.256 1.00 0.00 N ATOM 1007 NH2 ARG A 63 65.246 -17.027 -9.011 1.00 0.00 N ATOM 0 H ARG A 63 71.784 -15.567 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 63 72.906 -14.930 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.582 -15.370 -9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.411 -16.790 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.181 -16.443 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.239 -15.200 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.200 -17.461 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.934 -18.082 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 63 67.291 -15.754 -8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.590 -19.178 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.854 -19.379 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 63 65.087 -16.043 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 64.459 -17.631 -9.248 1.00 0.00 H new ATOM 1021 N LEU A 64 71.844 -12.673 -9.215 1.00 0.00 N ATOM 1022 CA LEU A 64 71.417 -11.274 -9.193 1.00 0.00 C ATOM 1023 C LEU A 64 70.230 -11.054 -10.133 1.00 0.00 C ATOM 1024 O LEU A 64 70.272 -11.446 -11.301 1.00 0.00 O ATOM 1025 CB LEU A 64 72.585 -10.355 -9.589 1.00 0.00 C ATOM 1026 CG LEU A 64 73.573 -10.037 -8.464 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.770 -10.974 -8.513 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.025 -8.587 -8.555 1.00 0.00 C ATOM 0 H LEU A 64 72.388 -12.933 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 64 71.102 -11.028 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.131 -10.821 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.177 -9.418 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 64 73.067 -10.186 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.458 -10.728 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.431 -12.004 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.281 -10.862 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.727 -8.374 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.512 -8.417 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.160 -7.930 -8.466 1.00 0.00 H new ATOM 1040 N LEU A 65 69.168 -10.438 -9.620 1.00 0.00 N ATOM 1041 CA LEU A 65 67.974 -10.176 -10.430 1.00 0.00 C ATOM 1042 C LEU A 65 67.369 -8.798 -10.129 1.00 0.00 C ATOM 1043 O LEU A 65 67.574 -8.233 -9.053 1.00 0.00 O ATOM 1044 CB LEU A 65 66.931 -11.321 -10.288 1.00 0.00 C ATOM 1045 CG LEU A 65 66.011 -11.360 -9.040 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.761 -11.067 -7.749 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.825 -10.418 -9.195 1.00 0.00 C ATOM 0 H LEU A 65 69.106 -10.112 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 65 68.286 -10.155 -11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.288 -11.289 -11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.474 -12.265 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 65 65.636 -12.381 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.068 -11.108 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.546 -11.809 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.206 -10.074 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.200 -10.470 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.185 -9.398 -9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.239 -10.711 -10.066 1.00 0.00 H new ATOM 1059 N PHE A 66 66.633 -8.258 -11.098 1.00 0.00 N ATOM 1060 CA PHE A 66 66.005 -6.947 -10.941 1.00 0.00 C ATOM 1061 C PHE A 66 64.571 -6.953 -11.479 1.00 0.00 C ATOM 1062 O PHE A 66 64.336 -7.331 -12.627 1.00 0.00 O ATOM 1063 CB PHE A 66 66.829 -5.875 -11.661 1.00 0.00 C ATOM 1064 CG PHE A 66 66.285 -4.482 -11.500 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.390 -3.816 -10.288 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.667 -3.839 -12.562 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.887 -2.539 -10.138 1.00 0.00 C ATOM 1068 CE2 PHE A 66 65.162 -2.562 -12.417 1.00 0.00 C ATOM 1069 CZ PHE A 66 65.273 -1.910 -11.205 1.00 0.00 C ATOM 0 H PHE A 66 66.457 -8.706 -11.997 1.00 0.00 H new ATOM 0 HA PHE A 66 65.969 -6.717 -9.876 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.851 -5.902 -11.284 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.874 -6.117 -12.723 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.871 -4.302 -9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.580 -4.343 -13.513 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.973 -2.032 -9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.680 -2.073 -13.251 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.881 -0.910 -11.091 1.00 0.00 H new ATOM 1079 N GLU A 67 63.625 -6.547 -10.623 1.00 0.00 N ATOM 1080 CA GLU A 67 62.187 -6.471 -10.957 1.00 0.00 C ATOM 1081 C GLU A 67 61.613 -7.795 -11.504 1.00 0.00 C ATOM 1082 O GLU A 67 60.541 -7.814 -12.109 1.00 0.00 O ATOM 1083 CB GLU A 67 61.913 -5.295 -11.923 1.00 0.00 C ATOM 1084 CG GLU A 67 62.026 -5.628 -13.408 1.00 0.00 C ATOM 1085 CD GLU A 67 60.766 -5.291 -14.186 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.038 -4.363 -13.770 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.507 -5.953 -15.213 1.00 0.00 O ATOM 0 H GLU A 67 63.833 -6.258 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 67 61.660 -6.286 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.911 -4.913 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.611 -4.489 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.867 -5.082 -13.835 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.244 -6.690 -13.522 1.00 0.00 H new ATOM 1094 N GLY A 68 62.310 -8.903 -11.257 1.00 0.00 N ATOM 1095 CA GLY A 68 61.838 -10.198 -11.723 1.00 0.00 C ATOM 1096 C GLY A 68 62.464 -10.645 -13.038 1.00 0.00 C ATOM 1097 O GLY A 68 62.150 -11.727 -13.534 1.00 0.00 O ATOM 0 H GLY A 68 63.191 -8.927 -10.744 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.047 -10.947 -10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.755 -10.158 -11.842 1.00 0.00 H new ATOM 1101 N GLN A 69 63.349 -9.830 -13.606 1.00 0.00 N ATOM 1102 CA GLN A 69 63.996 -10.179 -14.870 1.00 0.00 C ATOM 1103 C GLN A 69 65.373 -10.813 -14.641 1.00 0.00 C ATOM 1104 O GLN A 69 66.039 -10.548 -13.637 1.00 0.00 O ATOM 1105 CB GLN A 69 64.110 -8.946 -15.781 1.00 0.00 C ATOM 1106 CG GLN A 69 65.348 -8.095 -15.541 1.00 0.00 C ATOM 1107 CD GLN A 69 65.251 -6.731 -16.198 1.00 0.00 C ATOM 1108 OE1 GLN A 69 65.366 -6.605 -17.413 1.00 0.00 O ATOM 1109 NE2 GLN A 69 65.035 -5.702 -15.397 1.00 0.00 N ATOM 0 H GLN A 69 63.633 -8.931 -13.216 1.00 0.00 H new ATOM 0 HA GLN A 69 63.370 -10.920 -15.368 1.00 0.00 H new ATOM 0 HB2 GLN A 69 64.108 -9.276 -16.820 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.225 -8.325 -15.642 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.496 -7.969 -14.468 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.224 -8.618 -15.924 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.945 -5.848 -14.392 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.958 -4.762 -15.784 1.00 0.00 H new ATOM 1118 N ARG A 70 65.781 -11.660 -15.583 1.00 0.00 N ATOM 1119 CA ARG A 70 67.069 -12.346 -15.511 1.00 0.00 C ATOM 1120 C ARG A 70 68.217 -11.405 -15.881 1.00 0.00 C ATOM 1121 O ARG A 70 68.185 -10.750 -16.925 1.00 0.00 O ATOM 1122 CB ARG A 70 67.066 -13.560 -16.445 1.00 0.00 C ATOM 1123 CG ARG A 70 67.954 -14.707 -15.982 1.00 0.00 C ATOM 1124 CD ARG A 70 67.715 -15.961 -16.809 1.00 0.00 C ATOM 1125 NE ARG A 70 66.518 -16.680 -16.381 1.00 0.00 N ATOM 1126 CZ ARG A 70 65.835 -17.505 -17.158 1.00 0.00 C ATOM 1127 NH1 ARG A 70 66.218 -17.728 -18.391 1.00 0.00 N ATOM 1128 NH2 ARG A 70 64.766 -18.109 -16.699 1.00 0.00 N ATOM 0 H ARG A 70 65.233 -11.889 -16.412 1.00 0.00 H new ATOM 0 HA ARG A 70 67.221 -12.679 -14.484 1.00 0.00 H new ATOM 0 HB2 ARG A 70 66.044 -13.925 -16.545 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.390 -13.242 -17.436 1.00 0.00 H new ATOM 0 HG2 ARG A 70 69.001 -14.413 -16.058 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.758 -14.919 -14.931 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.618 -15.689 -17.860 1.00 0.00 H new ATOM 0 HD3 ARG A 70 68.581 -16.618 -16.729 1.00 0.00 H new ATOM 0 HE ARG A 70 66.189 -16.538 -15.426 1.00 0.00 H new ATOM 0 HH11 ARG A 70 67.049 -17.264 -18.759 1.00 0.00 H new ATOM 0 HH12 ARG A 70 65.686 -18.366 -18.983 1.00 0.00 H new ATOM 0 HH21 ARG A 70 64.459 -17.944 -15.741 1.00 0.00 H new ATOM 0 HH22 ARG A 70 64.241 -18.744 -17.300 1.00 0.00 H new ATOM 1142 N ILE A 71 69.230 -11.346 -15.025 1.00 0.00 N ATOM 1143 CA ILE A 71 70.378 -10.478 -15.265 1.00 0.00 C ATOM 1144 C ILE A 71 71.548 -11.243 -15.896 1.00 0.00 C ATOM 1145 O ILE A 71 71.966 -12.297 -15.409 1.00 0.00 O ATOM 1146 CB ILE A 71 70.819 -9.760 -13.958 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.259 -8.338 -13.939 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.335 -9.731 -13.798 1.00 0.00 C ATOM 1149 CD1 ILE A 71 69.883 -7.858 -12.558 1.00 0.00 C ATOM 0 H ILE A 71 69.281 -11.886 -14.161 1.00 0.00 H new ATOM 0 HA ILE A 71 70.065 -9.717 -15.980 1.00 0.00 H new ATOM 0 HB ILE A 71 70.419 -10.327 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.999 -7.659 -14.362 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.380 -8.293 -14.582 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.593 -9.219 -12.871 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.717 -10.751 -13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.780 -9.201 -14.641 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.493 -6.842 -12.620 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.120 -8.515 -12.140 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.764 -7.870 -11.916 1.00 0.00 H new ATOM 1161 N ALA A 72 72.041 -10.713 -17.009 1.00 0.00 N ATOM 1162 CA ALA A 72 73.167 -11.307 -17.725 1.00 0.00 C ATOM 1163 C ALA A 72 74.447 -10.474 -17.551 1.00 0.00 C ATOM 1164 O ALA A 72 74.552 -9.659 -16.636 1.00 0.00 O ATOM 1165 CB ALA A 72 72.825 -11.464 -19.201 1.00 0.00 C ATOM 0 H ALA A 72 71.675 -9.864 -17.440 1.00 0.00 H new ATOM 0 HA ALA A 72 73.357 -12.292 -17.299 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.671 -11.908 -19.725 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.954 -12.111 -19.306 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.605 -10.486 -19.629 1.00 0.00 H new ATOM 1171 N ASP A 73 75.419 -10.692 -18.436 1.00 0.00 N ATOM 1172 CA ASP A 73 76.698 -9.985 -18.386 1.00 0.00 C ATOM 1173 C ASP A 73 76.738 -8.804 -19.368 1.00 0.00 C ATOM 1174 O ASP A 73 77.127 -7.695 -19.003 1.00 0.00 O ATOM 1175 CB ASP A 73 77.837 -10.962 -18.690 1.00 0.00 C ATOM 1176 CG ASP A 73 78.445 -11.556 -17.431 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.731 -11.640 -16.405 1.00 0.00 O ATOM 1178 OD2 ASP A 73 79.634 -11.940 -17.472 1.00 0.00 O ATOM 0 H ASP A 73 75.343 -11.360 -19.203 1.00 0.00 H new ATOM 0 HA ASP A 73 76.819 -9.579 -17.382 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.462 -11.766 -19.323 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.613 -10.446 -19.256 1.00 0.00 H new ATOM 1183 N ASN A 74 76.324 -9.050 -20.615 1.00 0.00 N ATOM 1184 CA ASN A 74 76.319 -8.018 -21.660 1.00 0.00 C ATOM 1185 C ASN A 74 75.124 -7.064 -21.531 1.00 0.00 C ATOM 1186 O ASN A 74 74.680 -6.472 -22.518 1.00 0.00 O ATOM 1187 CB ASN A 74 76.318 -8.673 -23.045 1.00 0.00 C ATOM 1188 CG ASN A 74 75.228 -9.720 -23.201 1.00 0.00 C ATOM 1189 OD1 ASN A 74 75.195 -10.716 -22.483 1.00 0.00 O ATOM 1190 ND2 ASN A 74 74.326 -9.500 -24.144 1.00 0.00 N ATOM 0 H ASN A 74 75.986 -9.960 -20.928 1.00 0.00 H new ATOM 0 HA ASN A 74 77.225 -7.425 -21.533 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.187 -7.903 -23.806 1.00 0.00 H new ATOM 0 HB3 ASN A 74 77.288 -9.136 -23.223 1.00 0.00 H new ATOM 0 HD21 ASN A 74 73.571 -10.169 -24.294 1.00 0.00 H new ATOM 0 HD22 ASN A 74 74.386 -8.661 -24.721 1.00 0.00 H new ATOM 1197 N HIS A 75 74.617 -6.912 -20.317 1.00 0.00 N ATOM 1198 CA HIS A 75 73.479 -6.036 -20.052 1.00 0.00 C ATOM 1199 C HIS A 75 73.928 -4.730 -19.403 1.00 0.00 C ATOM 1200 O HIS A 75 75.013 -4.648 -18.828 1.00 0.00 O ATOM 1201 CB HIS A 75 72.484 -6.730 -19.124 1.00 0.00 C ATOM 1202 CG HIS A 75 71.438 -7.540 -19.831 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.775 -8.591 -19.236 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.927 -7.439 -21.083 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.903 -9.103 -20.086 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.974 -8.421 -21.214 1.00 0.00 N ATOM 0 H HIS A 75 74.978 -7.388 -19.490 1.00 0.00 H new ATOM 0 HA HIS A 75 73.005 -5.813 -21.008 1.00 0.00 H new ATOM 0 HB2 HIS A 75 73.033 -7.382 -18.445 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.990 -5.976 -18.512 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.215 -6.721 -21.837 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.245 -9.937 -19.891 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.413 -8.595 -22.048 1.00 0.00 H new ATOM 1214 N THR A 76 73.078 -3.712 -19.501 1.00 0.00 N ATOM 1215 CA THR A 76 73.359 -2.407 -18.908 1.00 0.00 C ATOM 1216 C THR A 76 72.149 -1.931 -18.101 1.00 0.00 C ATOM 1217 O THR A 76 71.011 -2.283 -18.423 1.00 0.00 O ATOM 1218 CB THR A 76 73.697 -1.339 -19.973 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.522 -0.999 -20.721 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.784 -1.825 -20.922 1.00 0.00 C ATOM 0 H THR A 76 72.184 -3.766 -19.988 1.00 0.00 H new ATOM 0 HA THR A 76 74.228 -2.531 -18.262 1.00 0.00 H new ATOM 0 HB THR A 76 74.067 -0.456 -19.452 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.746 -0.321 -21.392 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.997 -1.050 -21.658 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.689 -2.047 -20.356 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.445 -2.727 -21.432 1.00 0.00 H new ATOM 1228 N PRO A 77 72.372 -1.136 -17.035 1.00 0.00 N ATOM 1229 CA PRO A 77 71.278 -0.612 -16.200 1.00 0.00 C ATOM 1230 C PRO A 77 70.253 0.187 -17.010 1.00 0.00 C ATOM 1231 O PRO A 77 69.059 0.177 -16.706 1.00 0.00 O ATOM 1232 CB PRO A 77 71.992 0.302 -15.199 1.00 0.00 C ATOM 1233 CG PRO A 77 73.401 -0.182 -15.170 1.00 0.00 C ATOM 1234 CD PRO A 77 73.693 -0.699 -16.551 1.00 0.00 C ATOM 0 HA PRO A 77 70.709 -1.416 -15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.940 1.345 -15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.533 0.241 -14.212 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.084 0.624 -14.903 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.528 -0.967 -14.425 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.119 0.075 -17.189 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.406 -1.523 -16.530 1.00 0.00 H new ATOM 1242 N LYS A 78 70.733 0.865 -18.053 1.00 0.00 N ATOM 1243 CA LYS A 78 69.874 1.663 -18.928 1.00 0.00 C ATOM 1244 C LYS A 78 68.911 0.775 -19.726 1.00 0.00 C ATOM 1245 O LYS A 78 67.795 1.184 -20.052 1.00 0.00 O ATOM 1246 CB LYS A 78 70.740 2.489 -19.886 1.00 0.00 C ATOM 1247 CG LYS A 78 69.939 3.307 -20.889 1.00 0.00 C ATOM 1248 CD LYS A 78 70.432 3.094 -22.314 1.00 0.00 C ATOM 1249 CE LYS A 78 69.663 1.985 -23.016 1.00 0.00 C ATOM 1250 NZ LYS A 78 68.196 2.069 -22.762 1.00 0.00 N ATOM 0 H LYS A 78 71.719 0.877 -18.313 1.00 0.00 H new ATOM 0 HA LYS A 78 69.277 2.330 -18.305 1.00 0.00 H new ATOM 0 HB2 LYS A 78 71.370 3.161 -19.303 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.406 1.818 -20.428 1.00 0.00 H new ATOM 0 HG2 LYS A 78 68.886 3.033 -20.824 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.009 4.364 -20.634 1.00 0.00 H new ATOM 0 HD2 LYS A 78 70.328 4.021 -22.877 1.00 0.00 H new ATOM 0 HD3 LYS A 78 71.494 2.847 -22.299 1.00 0.00 H new ATOM 0 HE2 LYS A 78 69.848 2.040 -24.089 1.00 0.00 H new ATOM 0 HE3 LYS A 78 70.034 1.018 -22.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 67.683 1.581 -23.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.975 1.618 -21.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 67.905 3.067 -22.733 1.00 0.00 H new ATOM 1264 N GLU A 79 69.351 -0.439 -20.045 1.00 0.00 N ATOM 1265 CA GLU A 79 68.528 -1.377 -20.805 1.00 0.00 C ATOM 1266 C GLU A 79 67.618 -2.197 -19.886 1.00 0.00 C ATOM 1267 O GLU A 79 66.491 -2.530 -20.253 1.00 0.00 O ATOM 1268 CB GLU A 79 69.419 -2.308 -21.628 1.00 0.00 C ATOM 1269 CG GLU A 79 68.901 -2.562 -23.035 1.00 0.00 C ATOM 1270 CD GLU A 79 69.365 -3.892 -23.602 1.00 0.00 C ATOM 1271 OE1 GLU A 79 69.478 -4.865 -22.824 1.00 0.00 O ATOM 1272 OE2 GLU A 79 69.613 -3.959 -24.823 1.00 0.00 O ATOM 0 H GLU A 79 70.272 -0.797 -19.790 1.00 0.00 H new ATOM 0 HA GLU A 79 67.892 -0.798 -21.475 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.419 -1.879 -21.690 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.513 -3.261 -21.107 1.00 0.00 H new ATOM 0 HG2 GLU A 79 67.811 -2.536 -23.026 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.233 -1.757 -23.690 1.00 0.00 H new ATOM 1279 N LEU A 80 68.114 -2.525 -18.694 1.00 0.00 N ATOM 1280 CA LEU A 80 67.337 -3.305 -17.722 1.00 0.00 C ATOM 1281 C LEU A 80 66.216 -2.482 -17.067 1.00 0.00 C ATOM 1282 O LEU A 80 65.292 -3.046 -16.476 1.00 0.00 O ATOM 1283 CB LEU A 80 68.258 -3.867 -16.639 1.00 0.00 C ATOM 1284 CG LEU A 80 69.309 -4.864 -17.128 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.204 -5.294 -15.980 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.646 -6.074 -17.769 1.00 0.00 C ATOM 0 H LEU A 80 69.047 -2.265 -18.375 1.00 0.00 H new ATOM 0 HA LEU A 80 66.868 -4.120 -18.273 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.768 -3.036 -16.152 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.645 -4.353 -15.880 1.00 0.00 H new ATOM 0 HG LEU A 80 69.924 -4.373 -17.882 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.947 -6.004 -16.344 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.708 -4.421 -15.565 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.600 -5.766 -15.205 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.412 -6.771 -18.110 1.00 0.00 H new ATOM 0 HD22 LEU A 80 68.006 -6.568 -17.038 1.00 0.00 H new ATOM 0 HD23 LEU A 80 68.045 -5.752 -18.619 1.00 0.00 H new ATOM 1298 N GLY A 81 66.301 -1.153 -17.163 1.00 0.00 N ATOM 1299 CA GLY A 81 65.279 -0.298 -16.581 1.00 0.00 C ATOM 1300 C GLY A 81 65.607 0.160 -15.168 1.00 0.00 C ATOM 1301 O GLY A 81 64.718 0.262 -14.323 1.00 0.00 O ATOM 0 H GLY A 81 67.058 -0.656 -17.633 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.143 0.577 -17.216 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.330 -0.834 -16.570 1.00 0.00 H new ATOM 1305 N MET A 82 66.881 0.441 -14.906 1.00 0.00 N ATOM 1306 CA MET A 82 67.298 0.901 -13.582 1.00 0.00 C ATOM 1307 C MET A 82 67.257 2.425 -13.499 1.00 0.00 C ATOM 1308 O MET A 82 67.525 3.123 -14.478 1.00 0.00 O ATOM 1309 CB MET A 82 68.703 0.390 -13.238 1.00 0.00 C ATOM 1310 CG MET A 82 68.705 -0.984 -12.584 1.00 0.00 C ATOM 1311 SD MET A 82 69.402 -2.260 -13.650 1.00 0.00 S ATOM 1312 CE MET A 82 70.769 -2.833 -12.644 1.00 0.00 C ATOM 0 H MET A 82 67.637 0.360 -15.586 1.00 0.00 H new ATOM 0 HA MET A 82 66.597 0.494 -12.854 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.300 0.351 -14.149 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.187 1.103 -12.570 1.00 0.00 H new ATOM 0 HG2 MET A 82 69.276 -0.940 -11.656 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.684 -1.257 -12.317 1.00 0.00 H new ATOM 0 HE1 MET A 82 71.300 -3.627 -13.170 1.00 0.00 H new ATOM 0 HE2 MET A 82 71.452 -2.005 -12.452 1.00 0.00 H new ATOM 0 HE3 MET A 82 70.388 -3.216 -11.697 1.00 0.00 H new ATOM 1322 N GLU A 83 66.925 2.933 -12.322 1.00 0.00 N ATOM 1323 CA GLU A 83 66.831 4.375 -12.101 1.00 0.00 C ATOM 1324 C GLU A 83 67.879 4.841 -11.092 1.00 0.00 C ATOM 1325 O GLU A 83 68.710 4.048 -10.661 1.00 0.00 O ATOM 1326 CB GLU A 83 65.418 4.759 -11.637 1.00 0.00 C ATOM 1327 CG GLU A 83 65.082 4.328 -10.215 1.00 0.00 C ATOM 1328 CD GLU A 83 63.969 5.158 -9.602 1.00 0.00 C ATOM 1329 OE1 GLU A 83 64.093 6.401 -9.593 1.00 0.00 O ATOM 1330 OE2 GLU A 83 62.972 4.565 -9.137 1.00 0.00 O ATOM 0 H GLU A 83 66.715 2.368 -11.499 1.00 0.00 H new ATOM 0 HA GLU A 83 67.029 4.878 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.306 5.841 -11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.692 4.316 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 83 64.789 3.278 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 83 65.974 4.408 -9.594 1.00 0.00 H new ATOM 1337 N GLU A 84 67.842 6.137 -10.767 1.00 0.00 N ATOM 1338 CA GLU A 84 68.768 6.783 -9.807 1.00 0.00 C ATOM 1339 C GLU A 84 69.322 5.851 -8.704 1.00 0.00 C ATOM 1340 O GLU A 84 70.535 5.807 -8.496 1.00 0.00 O ATOM 1341 CB GLU A 84 68.070 7.979 -9.149 1.00 0.00 C ATOM 1342 CG GLU A 84 68.046 9.234 -10.013 1.00 0.00 C ATOM 1343 CD GLU A 84 66.734 9.410 -10.756 1.00 0.00 C ATOM 1344 OE1 GLU A 84 66.342 8.482 -11.497 1.00 0.00 O ATOM 1345 OE2 GLU A 84 66.099 10.474 -10.596 1.00 0.00 O ATOM 0 H GLU A 84 67.161 6.784 -11.165 1.00 0.00 H new ATOM 0 HA GLU A 84 69.630 7.092 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 67.045 7.699 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.572 8.207 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 84 68.222 10.106 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 68.863 9.190 -10.733 1.00 0.00 H new ATOM 1352 N GLU A 85 68.447 5.125 -7.991 1.00 0.00 N ATOM 1353 CA GLU A 85 68.892 4.227 -6.914 1.00 0.00 C ATOM 1354 C GLU A 85 69.814 3.107 -7.418 1.00 0.00 C ATOM 1355 O GLU A 85 70.786 2.762 -6.745 1.00 0.00 O ATOM 1356 CB GLU A 85 67.679 3.613 -6.205 1.00 0.00 C ATOM 1357 CG GLU A 85 67.031 4.541 -5.188 1.00 0.00 C ATOM 1358 CD GLU A 85 65.716 5.121 -5.677 1.00 0.00 C ATOM 1359 OE1 GLU A 85 65.599 5.379 -6.896 1.00 0.00 O ATOM 1360 OE2 GLU A 85 64.806 5.315 -4.846 1.00 0.00 O ATOM 0 H GLU A 85 67.438 5.141 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 85 69.468 4.834 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.937 3.332 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.988 2.697 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 85 66.859 3.994 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 85 67.718 5.355 -4.956 1.00 0.00 H new ATOM 1367 N ASP A 86 69.504 2.545 -8.597 1.00 0.00 N ATOM 1368 CA ASP A 86 70.318 1.475 -9.203 1.00 0.00 C ATOM 1369 C ASP A 86 70.516 0.265 -8.270 1.00 0.00 C ATOM 1370 O ASP A 86 71.433 -0.532 -8.471 1.00 0.00 O ATOM 1371 CB ASP A 86 71.674 2.031 -9.646 1.00 0.00 C ATOM 1372 CG ASP A 86 72.181 1.389 -10.923 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.369 0.777 -11.646 1.00 0.00 O ATOM 1374 OD2 ASP A 86 73.394 1.498 -11.201 1.00 0.00 O ATOM 0 H ASP A 86 68.692 2.814 -9.153 1.00 0.00 H new ATOM 0 HA ASP A 86 69.766 1.113 -10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.590 3.108 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.403 1.875 -8.851 1.00 0.00 H new ATOM 1379 N VAL A 87 69.660 0.127 -7.259 1.00 0.00 N ATOM 1380 CA VAL A 87 69.789 -0.960 -6.288 1.00 0.00 C ATOM 1381 C VAL A 87 69.247 -2.297 -6.823 1.00 0.00 C ATOM 1382 O VAL A 87 68.109 -2.393 -7.284 1.00 0.00 O ATOM 1383 CB VAL A 87 69.077 -0.604 -4.956 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.636 -0.170 -5.197 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.131 -1.767 -3.977 1.00 0.00 C ATOM 0 H VAL A 87 68.872 0.752 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 87 70.857 -1.083 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 87 69.612 0.237 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 87 67.165 0.072 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.624 0.709 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 87 67.087 -0.980 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.624 -1.489 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.637 -2.634 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.171 -2.013 -3.761 1.00 0.00 H new ATOM 1395 N ILE A 88 70.099 -3.324 -6.765 1.00 0.00 N ATOM 1396 CA ILE A 88 69.738 -4.669 -7.223 1.00 0.00 C ATOM 1397 C ILE A 88 69.660 -5.644 -6.046 1.00 0.00 C ATOM 1398 O ILE A 88 70.326 -5.454 -5.026 1.00 0.00 O ATOM 1399 CB ILE A 88 70.738 -5.243 -8.260 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.863 -4.249 -8.566 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.008 -5.633 -9.537 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.970 -4.829 -9.421 1.00 0.00 C ATOM 0 H ILE A 88 71.050 -3.249 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 88 68.764 -4.565 -7.701 1.00 0.00 H new ATOM 0 HB ILE A 88 71.194 -6.134 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.441 -3.381 -9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.288 -3.895 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.722 -6.034 -10.256 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.257 -6.390 -9.310 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.521 -4.755 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.731 -4.068 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.419 -5.679 -8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.558 -5.157 -10.375 1.00 0.00 H new ATOM 1414 N GLU A 89 68.852 -6.689 -6.197 1.00 0.00 N ATOM 1415 CA GLU A 89 68.694 -7.686 -5.133 1.00 0.00 C ATOM 1416 C GLU A 89 69.375 -9.005 -5.503 1.00 0.00 C ATOM 1417 O GLU A 89 69.302 -9.460 -6.648 1.00 0.00 O ATOM 1418 CB GLU A 89 67.210 -7.929 -4.823 1.00 0.00 C ATOM 1419 CG GLU A 89 66.960 -8.422 -3.406 1.00 0.00 C ATOM 1420 CD GLU A 89 65.583 -8.052 -2.891 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.365 -6.864 -2.571 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.716 -8.952 -2.807 1.00 0.00 O ATOM 0 H GLU A 89 68.300 -6.870 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 89 69.177 -7.289 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.658 -7.003 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.814 -8.659 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.075 -9.506 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.716 -8.004 -2.742 1.00 0.00 H new ATOM 1429 N VAL A 90 70.053 -9.606 -4.530 1.00 0.00 N ATOM 1430 CA VAL A 90 70.745 -10.876 -4.738 1.00 0.00 C ATOM 1431 C VAL A 90 70.111 -11.995 -3.908 1.00 0.00 C ATOM 1432 O VAL A 90 69.765 -11.796 -2.744 1.00 0.00 O ATOM 1433 CB VAL A 90 72.244 -10.762 -4.377 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.019 -11.961 -4.893 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.832 -9.470 -4.925 1.00 0.00 C ATOM 0 H VAL A 90 70.139 -9.233 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 90 70.651 -11.120 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 90 72.329 -10.745 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.071 -11.857 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.620 -12.872 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.924 -12.017 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.888 -9.409 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.729 -9.455 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.301 -8.619 -4.498 1.00 0.00 H new ATOM 1445 N TYR A 91 69.967 -13.171 -4.511 1.00 0.00 N ATOM 1446 CA TYR A 91 69.371 -14.319 -3.819 1.00 0.00 C ATOM 1447 C TYR A 91 70.307 -15.529 -3.834 1.00 0.00 C ATOM 1448 O TYR A 91 71.041 -15.749 -4.797 1.00 0.00 O ATOM 1449 CB TYR A 91 68.022 -14.697 -4.444 1.00 0.00 C ATOM 1450 CG TYR A 91 66.873 -13.819 -3.999 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.060 -13.185 -4.926 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.605 -13.622 -2.648 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.009 -12.380 -4.525 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.557 -12.821 -2.239 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.763 -12.201 -3.180 1.00 0.00 C ATOM 1456 OH TYR A 91 63.719 -11.400 -2.777 1.00 0.00 O ATOM 0 H TYR A 91 70.252 -13.358 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 91 69.209 -14.022 -2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.108 -14.644 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.794 -15.733 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.251 -13.322 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.226 -14.103 -1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.385 -11.895 -5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.360 -12.681 -1.186 1.00 0.00 H new ATOM 0 HH TYR A 91 63.945 -10.461 -2.942 1.00 0.00 H new ATOM 1466 N GLN A 92 70.268 -16.311 -2.760 1.00 0.00 N ATOM 1467 CA GLN A 92 71.112 -17.500 -2.636 1.00 0.00 C ATOM 1468 C GLN A 92 70.471 -18.711 -3.323 1.00 0.00 C ATOM 1469 O GLN A 92 69.285 -18.984 -3.140 1.00 0.00 O ATOM 1470 CB GLN A 92 71.356 -17.810 -1.154 1.00 0.00 C ATOM 1471 CG GLN A 92 72.578 -18.678 -0.891 1.00 0.00 C ATOM 1472 CD GLN A 92 73.119 -18.507 0.516 1.00 0.00 C ATOM 1473 OE1 GLN A 92 73.454 -17.402 0.934 1.00 0.00 O ATOM 1474 NE2 GLN A 92 73.208 -19.599 1.254 1.00 0.00 N ATOM 0 H GLN A 92 69.659 -16.144 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 92 72.062 -17.296 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 92 71.468 -16.871 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 92 70.476 -18.309 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 92 72.318 -19.724 -1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.358 -18.429 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.919 -20.499 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.565 -19.542 2.208 1.00 0.00 H new ATOM 1483 N GLU A 93 71.262 -19.434 -4.111 1.00 0.00 N ATOM 1484 CA GLU A 93 70.764 -20.614 -4.820 1.00 0.00 C ATOM 1485 C GLU A 93 71.673 -21.829 -4.601 1.00 0.00 C ATOM 1486 O GLU A 93 71.188 -22.919 -4.301 1.00 0.00 O ATOM 1487 CB GLU A 93 70.637 -20.325 -6.320 1.00 0.00 C ATOM 1488 CG GLU A 93 69.756 -21.323 -7.057 1.00 0.00 C ATOM 1489 CD GLU A 93 69.772 -21.125 -8.561 1.00 0.00 C ATOM 1490 OE1 GLU A 93 68.925 -20.359 -9.070 1.00 0.00 O ATOM 1491 OE2 GLU A 93 70.629 -21.739 -9.231 1.00 0.00 O ATOM 0 H GLU A 93 72.247 -19.227 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 93 69.780 -20.848 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.230 -19.323 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.631 -20.329 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 93 70.089 -22.335 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.732 -21.233 -6.694 1.00 0.00 H new