USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 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 18 TYR OH : rot -11:sc= 1.07 USER MOD Set 1.2: A 77 ASN : amide:sc= 0.667 K(o=1.7,f=-4.6!) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 147:sc=-0.00992 (180deg=-0.47) USER MOD Set 2.2: A 63 MET CE :methyl 173:sc= -0.35 (180deg=-0.619) USER MOD Set 3.1: A 31 HIS :FLIP no HE2:sc= -0.252 F(o=-3.1,f=-1.6) USER MOD Set 3.2: A 45 MET CE :methyl -176:sc= -0.852 (180deg=-0.774) USER MOD Set 3.3: A 49 HIS : no HD1:sc= -0.461 K(o=-1.6,f=-4.8) USER MOD Single : A 20 MET CE :methyl -170:sc= -0.822 (180deg=-0.995) USER MOD Single : A 30 SER OG : rot 107:sc= 1.25 USER MOD Single : A 32 ASN : amide:sc= 0.787 K(o=0.79,f=-1.4) USER MOD Single : A 35 CYS SG : rot -177:sc= -0.799! USER MOD Single : A 36 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.048) USER MOD Single : A 38 ASN : amide:sc= 1.14 K(o=1.1,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= 0.029 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.613 K(o=0.61,f=-0.019) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 99:sc= 1.25 USER MOD Single : A 56 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.0291 (180deg=-0.998) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -0.719 (180deg=-1.71!) USER MOD Single : A 79 SER OG : rot -47:sc=0.000549 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.351 10.877 15.042 1.00 0.00 N ATOM 285 CA TYR A 18 5.278 10.482 13.990 1.00 0.00 C ATOM 286 C TYR A 18 6.566 9.703 14.300 1.00 0.00 C ATOM 287 O TYR A 18 7.103 9.121 13.368 1.00 0.00 O ATOM 288 CB TYR A 18 5.595 11.670 13.022 1.00 0.00 C ATOM 289 CG TYR A 18 4.364 12.304 12.363 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.295 11.538 11.898 1.00 0.00 C ATOM 291 CD2 TYR A 18 4.312 13.675 12.101 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.220 12.104 11.256 1.00 0.00 C ATOM 293 CE2 TYR A 18 3.247 14.238 11.419 1.00 0.00 C ATOM 294 CZ TYR A 18 2.201 13.453 10.996 1.00 0.00 C ATOM 295 OH TYR A 18 1.133 14.016 10.273 1.00 0.00 O ATOM 0 HA TYR A 18 4.673 9.699 13.533 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.131 12.440 13.577 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.267 11.315 12.240 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.313 10.468 12.047 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.119 14.309 12.437 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.387 11.486 10.955 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.238 15.299 11.218 1.00 0.00 H new ATOM 0 HH TYR A 18 0.590 13.300 9.881 1.00 0.00 H new ATOM 305 N ASP A 19 7.087 9.634 15.566 1.00 0.00 N ATOM 306 CA ASP A 19 8.265 8.897 16.085 1.00 0.00 C ATOM 307 C ASP A 19 8.742 7.637 15.324 1.00 0.00 C ATOM 308 O ASP A 19 9.710 7.718 14.580 1.00 0.00 O ATOM 309 CB ASP A 19 8.056 8.593 17.607 1.00 0.00 C ATOM 310 CG ASP A 19 9.356 8.271 18.361 1.00 0.00 C ATOM 311 OD1 ASP A 19 10.259 9.149 18.388 1.00 0.00 O ATOM 312 OD2 ASP A 19 9.454 7.145 18.916 1.00 0.00 O ATOM 0 H ASP A 19 6.637 10.152 16.320 1.00 0.00 H new ATOM 0 HA ASP A 19 9.095 9.582 15.911 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.578 9.453 18.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.370 7.752 17.709 1.00 0.00 H new ATOM 317 N MET A 20 8.058 6.460 15.455 1.00 0.00 N ATOM 318 CA MET A 20 8.344 5.229 14.695 1.00 0.00 C ATOM 319 C MET A 20 7.837 5.201 13.254 1.00 0.00 C ATOM 320 O MET A 20 8.342 4.491 12.387 1.00 0.00 O ATOM 321 CB MET A 20 8.027 3.908 15.475 1.00 0.00 C ATOM 322 CG MET A 20 6.670 3.203 15.236 1.00 0.00 C ATOM 323 SD MET A 20 6.798 1.437 14.775 1.00 0.00 S ATOM 324 CE MET A 20 7.782 1.514 13.248 1.00 0.00 C ATOM 0 H MET A 20 7.281 6.352 16.107 1.00 0.00 H new ATOM 0 HA MET A 20 9.428 5.269 14.591 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.815 3.192 15.243 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.100 4.129 16.540 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.068 3.286 16.141 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.135 3.732 14.448 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.785 0.536 12.767 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.347 2.250 12.572 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.805 1.803 13.489 1.00 0.00 H new ATOM 334 N VAL A 21 6.759 5.971 12.967 1.00 0.00 N ATOM 335 CA VAL A 21 6.055 6.021 11.652 1.00 0.00 C ATOM 336 C VAL A 21 6.835 6.778 10.582 1.00 0.00 C ATOM 337 O VAL A 21 6.769 6.429 9.401 1.00 0.00 O ATOM 338 CB VAL A 21 4.517 6.048 11.737 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.977 7.430 12.144 1.00 0.00 C ATOM 340 CG2 VAL A 21 3.816 5.502 10.478 1.00 0.00 C ATOM 0 H VAL A 21 6.340 6.593 13.659 1.00 0.00 H new ATOM 0 HA VAL A 21 6.086 5.042 11.174 1.00 0.00 H new ATOM 0 HB VAL A 21 4.263 5.354 12.538 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.888 7.396 12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.373 7.702 13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.286 8.173 11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.735 5.553 10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.103 6.100 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.113 4.466 10.317 1.00 0.00 H new ATOM 350 N VAL A 22 7.662 7.807 10.989 1.00 0.00 N ATOM 351 CA VAL A 22 8.573 8.627 10.151 1.00 0.00 C ATOM 352 C VAL A 22 9.522 7.803 9.245 1.00 0.00 C ATOM 353 O VAL A 22 9.770 8.192 8.109 1.00 0.00 O ATOM 354 CB VAL A 22 9.268 9.775 10.908 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.509 9.351 11.720 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.599 10.950 9.957 1.00 0.00 C ATOM 0 H VAL A 22 7.701 8.089 11.968 1.00 0.00 H new ATOM 0 HA VAL A 22 7.905 9.130 9.452 1.00 0.00 H new ATOM 0 HB VAL A 22 8.542 10.109 11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.933 10.223 12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.220 8.611 12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.252 8.920 11.050 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.089 11.746 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.263 10.602 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.678 11.331 9.516 1.00 0.00 H new ATOM 366 N LYS A 23 9.968 6.581 9.692 1.00 0.00 N ATOM 367 CA LYS A 23 10.672 5.570 8.881 1.00 0.00 C ATOM 368 C LYS A 23 9.810 4.894 7.785 1.00 0.00 C ATOM 369 O LYS A 23 10.245 4.728 6.651 1.00 0.00 O ATOM 370 CB LYS A 23 11.260 4.431 9.769 1.00 0.00 C ATOM 371 CG LYS A 23 12.571 4.795 10.494 1.00 0.00 C ATOM 372 CD LYS A 23 12.492 5.904 11.557 1.00 0.00 C ATOM 373 CE LYS A 23 11.454 5.654 12.654 1.00 0.00 C ATOM 374 NZ LYS A 23 11.671 4.349 13.319 1.00 0.00 N ATOM 0 H LYS A 23 9.835 6.281 10.658 1.00 0.00 H new ATOM 0 HA LYS A 23 11.456 6.145 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.516 4.147 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.437 3.555 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.956 3.894 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.302 5.096 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.472 6.017 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.261 6.848 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.505 6.453 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.453 5.682 12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.396 4.419 14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.094 3.621 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.676 4.089 13.254 1.00 0.00 H new ATOM 388 N ILE A 24 8.545 4.485 8.087 1.00 0.00 N ATOM 389 CA ILE A 24 7.576 3.863 7.174 1.00 0.00 C ATOM 390 C ILE A 24 6.917 4.873 6.208 1.00 0.00 C ATOM 391 O ILE A 24 6.751 4.594 5.017 1.00 0.00 O ATOM 392 CB ILE A 24 6.669 2.852 7.877 1.00 0.00 C ATOM 393 CG1 ILE A 24 7.482 1.519 8.053 1.00 0.00 C ATOM 394 CG2 ILE A 24 5.334 2.647 7.107 1.00 0.00 C ATOM 395 CD1 ILE A 24 6.810 0.496 8.972 1.00 0.00 C ATOM 0 H ILE A 24 8.166 4.592 9.028 1.00 0.00 H new ATOM 0 HA ILE A 24 8.125 3.228 6.479 1.00 0.00 H new ATOM 0 HB ILE A 24 6.376 3.224 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.635 1.067 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.468 1.757 8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.716 1.922 7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.803 3.597 7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.546 2.278 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.433 -0.395 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.682 0.928 9.965 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.835 0.226 8.565 1.00 0.00 H new ATOM 407 N ILE A 25 6.617 6.142 6.645 1.00 0.00 N ATOM 408 CA ILE A 25 6.162 7.253 5.763 1.00 0.00 C ATOM 409 C ILE A 25 7.278 7.683 4.802 1.00 0.00 C ATOM 410 O ILE A 25 7.015 8.029 3.652 1.00 0.00 O ATOM 411 CB ILE A 25 5.441 8.452 6.403 1.00 0.00 C ATOM 412 CG1 ILE A 25 6.306 9.185 7.447 1.00 0.00 C ATOM 413 CG2 ILE A 25 4.106 7.957 6.995 1.00 0.00 C ATOM 414 CD1 ILE A 25 5.558 10.232 8.279 1.00 0.00 C ATOM 0 H ILE A 25 6.688 6.414 7.625 1.00 0.00 H new ATOM 0 HA ILE A 25 5.342 6.797 5.208 1.00 0.00 H new ATOM 0 HB ILE A 25 5.245 9.198 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.740 8.447 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.134 9.673 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.579 8.794 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.491 7.532 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.303 7.195 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.247 10.695 8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.148 10.996 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.747 9.751 8.825 1.00 0.00 H new ATOM 426 N ASP A 26 8.570 7.539 5.260 1.00 0.00 N ATOM 427 CA ASP A 26 9.796 7.661 4.456 1.00 0.00 C ATOM 428 C ASP A 26 9.925 6.520 3.430 1.00 0.00 C ATOM 429 O ASP A 26 10.107 6.850 2.271 1.00 0.00 O ATOM 430 CB ASP A 26 11.101 7.837 5.298 1.00 0.00 C ATOM 431 CG ASP A 26 12.317 8.292 4.473 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.245 9.402 3.881 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.323 7.535 4.431 1.00 0.00 O ATOM 0 H ASP A 26 8.769 7.327 6.238 1.00 0.00 H new ATOM 0 HA ASP A 26 9.684 8.595 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.917 8.565 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.338 6.891 5.785 1.00 0.00 H new ATOM 438 N VAL A 27 9.742 5.198 3.779 1.00 0.00 N ATOM 439 CA VAL A 27 9.673 3.984 2.910 1.00 0.00 C ATOM 440 C VAL A 27 8.679 4.161 1.753 1.00 0.00 C ATOM 441 O VAL A 27 9.039 4.092 0.576 1.00 0.00 O ATOM 442 CB VAL A 27 9.277 2.738 3.759 1.00 0.00 C ATOM 443 CG1 VAL A 27 8.641 1.500 3.082 1.00 0.00 C ATOM 444 CG2 VAL A 27 10.485 2.211 4.553 1.00 0.00 C ATOM 0 H VAL A 27 9.631 4.943 4.760 1.00 0.00 H new ATOM 0 HA VAL A 27 10.663 3.836 2.479 1.00 0.00 H new ATOM 0 HB VAL A 27 8.475 3.176 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.436 0.739 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.709 1.790 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.329 1.099 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.185 1.342 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.279 1.927 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.849 2.991 5.222 1.00 0.00 H new ATOM 454 N LEU A 28 7.398 4.517 2.069 1.00 0.00 N ATOM 455 CA LEU A 28 6.375 4.769 1.047 1.00 0.00 C ATOM 456 C LEU A 28 6.524 6.050 0.200 1.00 0.00 C ATOM 457 O LEU A 28 6.595 5.947 -1.025 1.00 0.00 O ATOM 458 CB LEU A 28 4.925 4.688 1.627 1.00 0.00 C ATOM 459 CG LEU A 28 4.400 3.288 2.065 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.768 2.183 1.078 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.849 2.821 3.451 1.00 0.00 C ATOM 0 H LEU A 28 7.065 4.632 3.026 1.00 0.00 H new ATOM 0 HA LEU A 28 6.555 3.952 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.871 5.352 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.241 5.084 0.877 1.00 0.00 H new ATOM 0 HG LEU A 28 3.322 3.449 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.376 1.231 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.338 2.409 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.853 2.119 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.429 1.837 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.937 2.764 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.502 3.529 4.204 1.00 0.00 H new ATOM 473 N ARG A 29 6.679 7.274 0.787 1.00 0.00 N ATOM 474 CA ARG A 29 6.917 8.550 0.042 1.00 0.00 C ATOM 475 C ARG A 29 8.171 8.618 -0.872 1.00 0.00 C ATOM 476 O ARG A 29 8.236 9.373 -1.839 1.00 0.00 O ATOM 477 CB ARG A 29 6.902 9.699 1.089 1.00 0.00 C ATOM 478 CG ARG A 29 6.965 11.151 0.568 1.00 0.00 C ATOM 479 CD ARG A 29 6.722 12.210 1.660 1.00 0.00 C ATOM 480 NE ARG A 29 5.321 12.087 2.209 1.00 0.00 N ATOM 481 CZ ARG A 29 4.219 12.671 1.639 1.00 0.00 C ATOM 482 NH1 ARG A 29 4.323 13.429 0.511 1.00 0.00 N ATOM 483 NH2 ARG A 29 2.994 12.491 2.216 1.00 0.00 N ATOM 0 H ARG A 29 6.642 7.404 1.798 1.00 0.00 H new ATOM 0 HA ARG A 29 6.114 8.638 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.995 9.597 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.745 9.549 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.942 11.324 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.223 11.278 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.447 12.085 2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.872 13.208 1.248 1.00 0.00 H new ATOM 0 HE ARG A 29 5.186 11.535 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.234 13.571 0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.490 13.854 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.906 11.927 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.167 12.920 1.801 1.00 0.00 H new ATOM 497 N SER A 30 9.213 7.843 -0.494 1.00 0.00 N ATOM 498 CA SER A 30 10.554 7.665 -1.105 1.00 0.00 C ATOM 499 C SER A 30 10.605 6.773 -2.310 1.00 0.00 C ATOM 500 O SER A 30 11.089 7.180 -3.359 1.00 0.00 O ATOM 501 CB SER A 30 11.643 7.118 -0.150 1.00 0.00 C ATOM 502 OG SER A 30 11.896 8.068 0.875 1.00 0.00 O ATOM 0 H SER A 30 9.127 7.261 0.340 1.00 0.00 H new ATOM 0 HA SER A 30 10.761 8.698 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.317 6.174 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.559 6.913 -0.705 1.00 0.00 H new ATOM 0 HG SER A 30 11.508 7.751 1.718 1.00 0.00 H new ATOM 508 N HIS A 31 10.054 5.513 -2.195 1.00 0.00 N ATOM 509 CA HIS A 31 9.883 4.500 -3.232 1.00 0.00 C ATOM 510 C HIS A 31 8.925 5.048 -4.297 1.00 0.00 C ATOM 511 O HIS A 31 9.123 4.808 -5.474 1.00 0.00 O ATOM 512 CB HIS A 31 9.294 3.171 -2.649 1.00 0.00 C ATOM 513 CG HIS A 31 10.123 2.132 -1.919 1.00 0.00 C ATOM 514 ND1 HIS A 31 10.723 2.146 -0.691 1.00 0.00 N flip ATOM 515 CD2 HIS A 31 9.837 0.805 -2.160 1.00 0.00 C flip ATOM 516 CE1 HIS A 31 10.785 0.863 -0.161 1.00 0.00 C flip ATOM 517 NE2 HIS A 31 10.236 0.093 -1.080 1.00 0.00 N flip ATOM 0 H HIS A 31 9.701 5.184 -1.297 1.00 0.00 H new ATOM 0 HA HIS A 31 10.860 4.276 -3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.498 3.464 -1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.821 2.654 -3.484 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.077 2.983 -0.227 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.377 0.405 -3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.193 0.563 0.793 1.00 0.00 H new ATOM 525 N ASN A 32 7.925 5.890 -3.886 1.00 0.00 N ATOM 526 CA ASN A 32 6.966 6.607 -4.723 1.00 0.00 C ATOM 527 C ASN A 32 7.492 7.513 -5.823 1.00 0.00 C ATOM 528 O ASN A 32 6.956 7.471 -6.926 1.00 0.00 O ATOM 529 CB ASN A 32 5.992 7.473 -3.859 1.00 0.00 C ATOM 530 CG ASN A 32 4.674 6.740 -3.683 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.705 7.066 -4.364 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.643 5.714 -2.810 1.00 0.00 N ATOM 0 H ASN A 32 7.777 6.083 -2.895 1.00 0.00 H new ATOM 0 HA ASN A 32 6.485 5.772 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.438 7.678 -2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.822 8.436 -4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.788 5.170 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.474 5.481 -2.267 1.00 0.00 H new ATOM 539 N GLU A 33 8.555 8.336 -5.589 1.00 0.00 N ATOM 540 CA GLU A 33 9.116 9.299 -6.551 1.00 0.00 C ATOM 541 C GLU A 33 9.784 8.655 -7.774 1.00 0.00 C ATOM 542 O GLU A 33 9.624 9.079 -8.917 1.00 0.00 O ATOM 543 CB GLU A 33 9.968 10.374 -5.819 1.00 0.00 C ATOM 544 CG GLU A 33 11.345 9.944 -5.275 1.00 0.00 C ATOM 545 CD GLU A 33 12.465 10.122 -6.303 1.00 0.00 C ATOM 546 OE1 GLU A 33 12.651 11.272 -6.785 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.157 9.115 -6.611 1.00 0.00 O ATOM 0 H GLU A 33 9.051 8.339 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 33 8.280 9.830 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.123 11.205 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.381 10.756 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.578 10.527 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.300 8.899 -4.969 1.00 0.00 H new ATOM 554 N ALA A 34 10.479 7.520 -7.504 1.00 0.00 N ATOM 555 CA ALA A 34 11.052 6.563 -8.438 1.00 0.00 C ATOM 556 C ALA A 34 10.001 5.697 -9.122 1.00 0.00 C ATOM 557 O ALA A 34 10.197 5.121 -10.192 1.00 0.00 O ATOM 558 CB ALA A 34 12.087 5.690 -7.716 1.00 0.00 C ATOM 0 H ALA A 34 10.659 7.243 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 34 11.539 7.134 -9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.514 4.975 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.880 6.322 -7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.604 5.153 -6.900 1.00 0.00 H new ATOM 564 N CYS A 35 8.848 5.519 -8.435 1.00 0.00 N ATOM 565 CA CYS A 35 7.728 4.689 -8.857 1.00 0.00 C ATOM 566 C CYS A 35 6.829 5.272 -9.922 1.00 0.00 C ATOM 567 O CYS A 35 6.425 4.530 -10.803 1.00 0.00 O ATOM 568 CB CYS A 35 6.931 4.222 -7.626 1.00 0.00 C ATOM 569 SG CYS A 35 6.036 2.693 -7.849 1.00 0.00 S ATOM 0 H CYS A 35 8.680 5.974 -7.538 1.00 0.00 H new ATOM 0 HA CYS A 35 8.179 3.834 -9.361 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.619 4.105 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.223 5.004 -7.351 1.00 0.00 H new ATOM 0 HG CYS A 35 5.350 2.432 -6.776 1.00 0.00 H new ATOM 575 N GLN A 36 6.538 6.601 -9.885 1.00 0.00 N ATOM 576 CA GLN A 36 5.716 7.370 -10.843 1.00 0.00 C ATOM 577 C GLN A 36 6.373 7.569 -12.215 1.00 0.00 C ATOM 578 O GLN A 36 5.791 7.975 -13.212 1.00 0.00 O ATOM 579 CB GLN A 36 5.180 8.690 -10.202 1.00 0.00 C ATOM 580 CG GLN A 36 6.199 9.791 -9.809 1.00 0.00 C ATOM 581 CD GLN A 36 6.662 10.660 -10.985 1.00 0.00 C ATOM 582 OE1 GLN A 36 5.948 11.535 -11.479 1.00 0.00 O ATOM 583 NE2 GLN A 36 7.937 10.455 -11.397 1.00 0.00 N ATOM 0 H GLN A 36 6.896 7.195 -9.137 1.00 0.00 H new ATOM 0 HA GLN A 36 4.845 6.753 -11.066 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.468 9.131 -10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.622 8.420 -9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.751 10.433 -9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.070 9.320 -9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.500 9.722 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.333 11.034 -12.138 1.00 0.00 H new ATOM 592 N GLU A 37 7.684 7.264 -12.234 1.00 0.00 N ATOM 593 CA GLU A 37 8.626 7.318 -13.364 1.00 0.00 C ATOM 594 C GLU A 37 8.529 6.108 -14.280 1.00 0.00 C ATOM 595 O GLU A 37 8.688 6.127 -15.502 1.00 0.00 O ATOM 596 CB GLU A 37 10.033 7.247 -12.711 1.00 0.00 C ATOM 597 CG GLU A 37 11.261 6.764 -13.524 1.00 0.00 C ATOM 598 CD GLU A 37 11.645 7.772 -14.599 1.00 0.00 C ATOM 599 OE1 GLU A 37 11.969 8.935 -14.233 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.624 7.398 -15.802 1.00 0.00 O ATOM 0 H GLU A 37 8.150 6.946 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 37 8.421 8.209 -13.958 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.266 8.246 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.950 6.597 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.105 6.606 -12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.038 5.803 -13.987 1.00 0.00 H new ATOM 607 N ASN A 38 8.352 4.993 -13.550 1.00 0.00 N ATOM 608 CA ASN A 38 8.289 3.616 -13.924 1.00 0.00 C ATOM 609 C ASN A 38 6.833 3.285 -13.809 1.00 0.00 C ATOM 610 O ASN A 38 6.012 4.139 -13.490 1.00 0.00 O ATOM 611 CB ASN A 38 9.134 2.801 -12.915 1.00 0.00 C ATOM 612 CG ASN A 38 10.601 3.083 -13.196 1.00 0.00 C ATOM 613 OD1 ASN A 38 11.101 2.788 -14.283 1.00 0.00 O ATOM 614 ND2 ASN A 38 11.331 3.653 -12.204 1.00 0.00 N ATOM 0 H ASN A 38 8.236 5.080 -12.540 1.00 0.00 H new ATOM 0 HA ASN A 38 8.674 3.398 -14.920 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.881 3.081 -11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.925 1.736 -13.015 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.322 3.848 -12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.889 3.886 -11.315 1.00 0.00 H new ATOM 621 N LYS A 39 6.424 2.027 -14.063 1.00 0.00 N ATOM 622 CA LYS A 39 5.034 1.614 -13.949 1.00 0.00 C ATOM 623 C LYS A 39 4.545 1.559 -12.497 1.00 0.00 C ATOM 624 O LYS A 39 3.712 2.345 -12.059 1.00 0.00 O ATOM 625 CB LYS A 39 4.768 0.334 -14.811 1.00 0.00 C ATOM 626 CG LYS A 39 5.501 -0.978 -14.429 1.00 0.00 C ATOM 627 CD LYS A 39 4.614 -1.893 -13.568 1.00 0.00 C ATOM 628 CE LYS A 39 3.665 -2.775 -14.389 1.00 0.00 C ATOM 629 NZ LYS A 39 2.814 -3.602 -13.503 1.00 0.00 N ATOM 0 H LYS A 39 7.055 1.279 -14.351 1.00 0.00 H new ATOM 0 HA LYS A 39 4.400 2.388 -14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.697 0.135 -14.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.026 0.570 -15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.798 -1.506 -15.335 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.415 -0.740 -13.885 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.251 -2.531 -12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.027 -1.279 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.037 -2.149 -15.023 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.243 -3.420 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.111 -4.597 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.912 -3.273 -12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.820 -3.518 -13.799 1.00 0.00 H new ATOM 643 N ASP A 40 5.084 0.621 -11.706 1.00 0.00 N ATOM 644 CA ASP A 40 5.007 0.549 -10.290 1.00 0.00 C ATOM 645 C ASP A 40 6.301 -0.203 -10.054 1.00 0.00 C ATOM 646 O ASP A 40 6.404 -1.304 -10.574 1.00 0.00 O ATOM 647 CB ASP A 40 3.731 -0.092 -9.648 1.00 0.00 C ATOM 648 CG ASP A 40 2.987 -1.109 -10.518 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.355 -2.310 -10.473 1.00 0.00 O ATOM 650 OD2 ASP A 40 2.025 -0.697 -11.221 1.00 0.00 O ATOM 0 H ASP A 40 5.620 -0.154 -12.096 1.00 0.00 H new ATOM 0 HA ASP A 40 4.901 1.518 -9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.022 -0.581 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.039 0.708 -9.385 1.00 0.00 H new ATOM 655 N LEU A 41 7.333 0.275 -9.325 1.00 0.00 N ATOM 656 CA LEU A 41 8.556 -0.501 -9.031 1.00 0.00 C ATOM 657 C LEU A 41 8.396 -1.709 -8.081 1.00 0.00 C ATOM 658 O LEU A 41 9.208 -2.629 -8.084 1.00 0.00 O ATOM 659 CB LEU A 41 9.770 0.372 -8.672 1.00 0.00 C ATOM 660 CG LEU A 41 9.575 1.290 -7.462 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.106 0.694 -6.155 1.00 0.00 C ATOM 662 CD2 LEU A 41 10.267 2.607 -7.775 1.00 0.00 C ATOM 0 H LEU A 41 7.341 1.212 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 41 8.766 -0.963 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.623 -0.280 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.025 0.985 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 41 8.507 1.431 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.936 1.396 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.586 -0.241 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.175 0.501 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.149 3.289 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.328 2.428 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.821 3.050 -8.666 1.00 0.00 H new ATOM 674 N GLN A 42 7.309 -1.735 -7.268 1.00 0.00 N ATOM 675 CA GLN A 42 6.809 -2.715 -6.327 1.00 0.00 C ATOM 676 C GLN A 42 5.653 -3.637 -6.698 1.00 0.00 C ATOM 677 O GLN A 42 4.898 -3.787 -5.736 1.00 0.00 O ATOM 678 CB GLN A 42 6.911 -2.354 -4.819 1.00 0.00 C ATOM 679 CG GLN A 42 8.109 -3.050 -4.117 1.00 0.00 C ATOM 680 CD GLN A 42 8.064 -4.584 -4.015 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.081 -5.222 -3.749 1.00 0.00 O ATOM 682 NE2 GLN A 42 6.880 -5.192 -4.220 1.00 0.00 N ATOM 0 H GLN A 42 6.681 -0.931 -7.278 1.00 0.00 H new ATOM 0 HA GLN A 42 7.617 -3.424 -6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.011 -1.274 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.986 -2.639 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.020 -2.772 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.192 -2.646 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.053 -4.637 -4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.810 -6.208 -4.156 1.00 0.00 H new ATOM 691 N PRO A 43 5.307 -4.249 -7.872 1.00 0.00 N ATOM 692 CA PRO A 43 4.004 -4.867 -8.207 1.00 0.00 C ATOM 693 C PRO A 43 3.241 -5.710 -7.146 1.00 0.00 C ATOM 694 O PRO A 43 2.016 -5.682 -7.191 1.00 0.00 O ATOM 695 CB PRO A 43 4.341 -5.743 -9.426 1.00 0.00 C ATOM 696 CG PRO A 43 5.421 -4.954 -10.164 1.00 0.00 C ATOM 697 CD PRO A 43 6.203 -4.288 -9.026 1.00 0.00 C ATOM 0 HA PRO A 43 3.291 -4.054 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.702 -6.726 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.466 -5.905 -10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.057 -5.605 -10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.990 -4.217 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.107 -4.851 -8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.516 -3.283 -9.308 1.00 0.00 H new ATOM 705 N TYR A 44 3.924 -6.375 -6.169 1.00 0.00 N ATOM 706 CA TYR A 44 3.314 -7.053 -5.034 1.00 0.00 C ATOM 707 C TYR A 44 4.423 -7.273 -3.992 1.00 0.00 C ATOM 708 O TYR A 44 5.533 -7.687 -4.332 1.00 0.00 O ATOM 709 CB TYR A 44 2.722 -8.479 -5.340 1.00 0.00 C ATOM 710 CG TYR A 44 1.418 -8.482 -6.145 1.00 0.00 C ATOM 711 CD1 TYR A 44 0.177 -8.371 -5.516 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.413 -8.655 -7.528 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.006 -8.552 -6.216 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.228 -8.779 -8.231 1.00 0.00 C ATOM 715 CZ TYR A 44 -0.984 -8.763 -7.580 1.00 0.00 C ATOM 716 OH TYR A 44 -2.163 -8.966 -8.338 1.00 0.00 O ATOM 0 H TYR A 44 4.942 -6.444 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 44 2.486 -6.421 -4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.469 -9.056 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.549 -8.994 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.137 -8.139 -4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.352 -8.693 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.950 -8.528 -5.691 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.255 -8.890 -9.305 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.928 -9.095 -9.281 1.00 0.00 H new ATOM 726 N MET A 45 4.120 -7.043 -2.686 1.00 0.00 N ATOM 727 CA MET A 45 4.979 -7.278 -1.522 1.00 0.00 C ATOM 728 C MET A 45 4.102 -7.741 -0.344 1.00 0.00 C ATOM 729 O MET A 45 2.900 -7.480 -0.377 1.00 0.00 O ATOM 730 CB MET A 45 5.862 -6.051 -1.105 1.00 0.00 C ATOM 731 CG MET A 45 5.341 -4.609 -1.330 1.00 0.00 C ATOM 732 SD MET A 45 4.805 -3.735 0.176 1.00 0.00 S ATOM 733 CE MET A 45 5.449 -2.091 -0.261 1.00 0.00 C ATOM 0 H MET A 45 3.212 -6.666 -2.415 1.00 0.00 H new ATOM 0 HA MET A 45 5.692 -8.051 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.080 -6.155 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.810 -6.139 -1.635 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.128 -4.026 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.503 -4.647 -2.027 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.288 -1.405 0.570 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.516 -2.162 -0.471 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.929 -1.720 -1.144 1.00 0.00 H new ATOM 743 N PRO A 46 4.586 -8.448 0.722 1.00 0.00 N ATOM 744 CA PRO A 46 3.783 -8.841 1.895 1.00 0.00 C ATOM 745 C PRO A 46 3.575 -7.672 2.874 1.00 0.00 C ATOM 746 O PRO A 46 4.137 -6.595 2.685 1.00 0.00 O ATOM 747 CB PRO A 46 4.688 -9.911 2.561 1.00 0.00 C ATOM 748 CG PRO A 46 6.116 -9.420 2.292 1.00 0.00 C ATOM 749 CD PRO A 46 5.976 -8.922 0.843 1.00 0.00 C ATOM 0 HA PRO A 46 2.783 -9.180 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.489 -9.991 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.519 -10.898 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.417 -8.626 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.853 -10.218 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.684 -8.120 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.181 -9.722 0.132 1.00 0.00 H new ATOM 757 N ILE A 47 2.824 -7.886 3.994 1.00 0.00 N ATOM 758 CA ILE A 47 2.585 -6.958 5.118 1.00 0.00 C ATOM 759 C ILE A 47 3.917 -6.662 5.851 1.00 0.00 C ATOM 760 O ILE A 47 4.286 -5.495 5.988 1.00 0.00 O ATOM 761 CB ILE A 47 1.428 -7.449 5.992 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.144 -7.711 5.163 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.148 -6.487 7.165 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.585 -6.448 4.684 1.00 0.00 C ATOM 0 H ILE A 47 2.342 -8.774 4.135 1.00 0.00 H new ATOM 0 HA ILE A 47 2.245 -5.988 4.756 1.00 0.00 H new ATOM 0 HB ILE A 47 1.740 -8.403 6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.407 -8.313 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.545 -8.304 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.320 -6.871 7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.038 -6.406 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.888 -5.503 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.469 -6.732 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.885 -5.852 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.081 -5.861 4.052 1.00 0.00 H new ATOM 776 N PRO A 48 4.724 -7.660 6.295 1.00 0.00 N ATOM 777 CA PRO A 48 6.136 -7.581 6.604 1.00 0.00 C ATOM 778 C PRO A 48 7.097 -6.948 5.601 1.00 0.00 C ATOM 779 O PRO A 48 8.201 -6.725 6.046 1.00 0.00 O ATOM 780 CB PRO A 48 6.539 -8.666 7.613 1.00 0.00 C ATOM 781 CG PRO A 48 5.443 -9.714 7.353 1.00 0.00 C ATOM 782 CD PRO A 48 4.242 -8.973 6.713 1.00 0.00 C ATOM 0 HA PRO A 48 6.355 -6.672 7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.539 -9.057 7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.528 -8.301 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.810 -10.497 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.145 -10.198 8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.855 -9.531 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.425 -8.874 7.427 1.00 0.00 H new ATOM 790 N HIS A 49 6.888 -6.647 4.263 1.00 0.00 N ATOM 791 CA HIS A 49 7.878 -5.780 3.509 1.00 0.00 C ATOM 792 C HIS A 49 8.069 -4.432 4.226 1.00 0.00 C ATOM 793 O HIS A 49 9.162 -4.009 4.578 1.00 0.00 O ATOM 794 CB HIS A 49 7.408 -5.360 2.059 1.00 0.00 C ATOM 795 CG HIS A 49 8.173 -4.215 1.320 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.006 -2.880 1.662 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.213 -4.214 0.435 1.00 0.00 C ATOM 798 CE1 HIS A 49 8.967 -2.155 1.051 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.702 -2.921 0.265 1.00 0.00 N ATOM 0 H HIS A 49 6.092 -6.971 3.714 1.00 0.00 H new ATOM 0 HA HIS A 49 8.774 -6.399 3.459 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.453 -6.248 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.360 -5.068 2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.601 -5.091 -0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.115 -1.094 1.186 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.468 -2.627 -0.341 1.00 0.00 H new ATOM 807 N VAL A 50 6.882 -3.854 4.539 1.00 0.00 N ATOM 808 CA VAL A 50 6.640 -2.663 5.324 1.00 0.00 C ATOM 809 C VAL A 50 6.806 -2.971 6.818 1.00 0.00 C ATOM 810 O VAL A 50 7.539 -2.247 7.480 1.00 0.00 O ATOM 811 CB VAL A 50 5.282 -2.097 4.924 1.00 0.00 C ATOM 812 CG1 VAL A 50 4.988 -0.776 5.644 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.212 -1.879 3.396 1.00 0.00 C ATOM 0 H VAL A 50 6.007 -4.261 4.210 1.00 0.00 H new ATOM 0 HA VAL A 50 7.375 -1.884 5.122 1.00 0.00 H new ATOM 0 HB VAL A 50 4.528 -2.826 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.012 -0.402 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.988 -0.941 6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.754 -0.044 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.235 -1.475 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.990 -1.178 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.362 -2.830 2.886 1.00 0.00 H new ATOM 823 N ARG A 51 6.234 -4.081 7.409 1.00 0.00 N ATOM 824 CA ARG A 51 6.510 -4.475 8.809 1.00 0.00 C ATOM 825 C ARG A 51 7.945 -4.955 9.120 1.00 0.00 C ATOM 826 O ARG A 51 8.397 -4.807 10.236 1.00 0.00 O ATOM 827 CB ARG A 51 5.524 -5.437 9.526 1.00 0.00 C ATOM 828 CG ARG A 51 4.029 -5.182 9.360 1.00 0.00 C ATOM 829 CD ARG A 51 3.247 -6.016 10.391 1.00 0.00 C ATOM 830 NE ARG A 51 1.778 -5.709 10.317 1.00 0.00 N ATOM 831 CZ ARG A 51 0.855 -6.300 11.138 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.235 -7.235 12.057 1.00 0.00 N ATOM 833 NH2 ARG A 51 -0.459 -5.947 11.035 1.00 0.00 N ATOM 0 H ARG A 51 5.586 -4.703 6.925 1.00 0.00 H new ATOM 0 HA ARG A 51 6.349 -3.483 9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.731 -6.449 9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.751 -5.414 10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.813 -4.122 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.715 -5.445 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.412 -7.078 10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.618 -5.805 11.394 1.00 0.00 H new ATOM 0 HE ARG A 51 1.455 -5.032 9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.216 -7.501 12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.538 -7.668 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.747 -5.248 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.153 -6.382 11.643 1.00 0.00 H new ATOM 847 N ASP A 52 8.775 -5.521 8.207 1.00 0.00 N ATOM 848 CA ASP A 52 10.219 -5.704 8.415 1.00 0.00 C ATOM 849 C ASP A 52 11.007 -4.405 8.224 1.00 0.00 C ATOM 850 O ASP A 52 12.007 -4.198 8.888 1.00 0.00 O ATOM 851 CB ASP A 52 10.879 -6.957 7.726 1.00 0.00 C ATOM 852 CG ASP A 52 11.151 -6.932 6.205 1.00 0.00 C ATOM 853 OD1 ASP A 52 11.856 -6.009 5.720 1.00 0.00 O ATOM 854 OD2 ASP A 52 10.687 -7.882 5.517 1.00 0.00 O ATOM 0 H ASP A 52 8.450 -5.863 7.302 1.00 0.00 H new ATOM 0 HA ASP A 52 10.292 -5.970 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.830 -7.141 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.240 -7.816 7.930 1.00 0.00 H new ATOM 859 N SER A 53 10.555 -3.458 7.340 1.00 0.00 N ATOM 860 CA SER A 53 11.177 -2.185 6.960 1.00 0.00 C ATOM 861 C SER A 53 11.493 -1.176 8.041 1.00 0.00 C ATOM 862 O SER A 53 12.301 -0.283 7.802 1.00 0.00 O ATOM 863 CB SER A 53 10.396 -1.377 5.895 1.00 0.00 C ATOM 864 OG SER A 53 10.550 -1.911 4.585 1.00 0.00 O ATOM 0 H SER A 53 9.673 -3.596 6.846 1.00 0.00 H new ATOM 0 HA SER A 53 12.113 -2.603 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.338 -1.365 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.739 -0.342 5.905 1.00 0.00 H new ATOM 0 HG SER A 53 9.775 -2.469 4.366 1.00 0.00 H new ATOM 870 N LEU A 54 10.899 -1.281 9.262 1.00 0.00 N ATOM 871 CA LEU A 54 11.151 -0.413 10.403 1.00 0.00 C ATOM 872 C LEU A 54 12.572 -0.631 10.961 1.00 0.00 C ATOM 873 O LEU A 54 13.116 0.251 11.622 1.00 0.00 O ATOM 874 CB LEU A 54 10.076 -0.563 11.564 1.00 0.00 C ATOM 875 CG LEU A 54 9.415 -1.937 11.924 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.008 -2.160 11.360 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.289 -3.174 11.843 1.00 0.00 C ATOM 0 H LEU A 54 10.210 -2.005 9.466 1.00 0.00 H new ATOM 0 HA LEU A 54 11.063 0.606 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.547 -0.195 12.475 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.262 0.122 11.327 1.00 0.00 H new ATOM 0 HG LEU A 54 9.283 -1.798 12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.644 -3.140 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.338 -1.388 11.739 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.040 -2.111 10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.704 -4.052 12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.661 -3.290 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.131 -3.070 12.528 1.00 0.00 H new ATOM 889 N ILE A 55 13.139 -1.840 10.682 1.00 0.00 N ATOM 890 CA ILE A 55 14.486 -2.304 11.093 1.00 0.00 C ATOM 891 C ILE A 55 15.000 -3.413 10.148 1.00 0.00 C ATOM 892 O ILE A 55 14.373 -4.449 9.999 1.00 0.00 O ATOM 893 CB ILE A 55 14.557 -2.793 12.560 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.362 -1.732 13.663 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.857 -3.538 12.933 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.003 -1.890 14.325 1.00 0.00 C ATOM 0 H ILE A 55 12.642 -2.546 10.139 1.00 0.00 H new ATOM 0 HA ILE A 55 15.130 -1.428 11.021 1.00 0.00 H new ATOM 0 HB ILE A 55 13.697 -3.462 12.549 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.150 -1.828 14.410 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.449 -0.734 13.234 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.815 -3.842 13.979 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.964 -4.421 12.303 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.711 -2.878 12.781 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.885 -1.132 15.100 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.218 -1.770 13.578 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.929 -2.881 14.773 1.00 0.00 H new ATOM 908 N GLN A 56 16.200 -3.302 9.537 1.00 0.00 N ATOM 909 CA GLN A 56 16.795 -4.304 8.622 1.00 0.00 C ATOM 910 C GLN A 56 17.305 -5.716 9.100 1.00 0.00 C ATOM 911 O GLN A 56 17.038 -6.660 8.358 1.00 0.00 O ATOM 912 CB GLN A 56 17.879 -3.632 7.715 1.00 0.00 C ATOM 913 CG GLN A 56 17.327 -2.809 6.516 1.00 0.00 C ATOM 914 CD GLN A 56 16.863 -1.380 6.828 1.00 0.00 C ATOM 915 OE1 GLN A 56 17.587 -0.417 6.561 1.00 0.00 O ATOM 916 NE2 GLN A 56 15.619 -1.231 7.358 1.00 0.00 N ATOM 0 H GLN A 56 16.800 -2.488 9.670 1.00 0.00 H new ATOM 0 HA GLN A 56 15.882 -4.615 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.490 -2.975 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.538 -4.409 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.102 -2.758 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.488 -3.354 6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.051 -2.053 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.254 -0.298 7.549 1.00 0.00 H new ATOM 925 N PRO A 57 18.068 -5.969 10.190 1.00 0.00 N ATOM 926 CA PRO A 57 18.720 -7.269 10.501 1.00 0.00 C ATOM 927 C PRO A 57 17.846 -8.304 11.258 1.00 0.00 C ATOM 928 O PRO A 57 16.732 -8.609 10.862 1.00 0.00 O ATOM 929 CB PRO A 57 19.877 -6.779 11.403 1.00 0.00 C ATOM 930 CG PRO A 57 19.194 -5.671 12.202 1.00 0.00 C ATOM 931 CD PRO A 57 18.569 -4.901 11.045 1.00 0.00 C ATOM 0 HA PRO A 57 18.986 -7.818 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.260 -7.572 12.046 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.720 -6.405 10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.453 -6.053 12.904 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.898 -5.070 12.777 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.769 -4.241 11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.300 -4.278 10.530 1.00 0.00 H new ATOM 939 N HIS A 58 18.374 -8.870 12.383 1.00 0.00 N ATOM 940 CA HIS A 58 17.782 -9.848 13.303 1.00 0.00 C ATOM 941 C HIS A 58 16.745 -9.256 14.266 1.00 0.00 C ATOM 942 O HIS A 58 15.814 -9.914 14.709 1.00 0.00 O ATOM 943 CB HIS A 58 18.893 -10.603 14.083 1.00 0.00 C ATOM 944 CG HIS A 58 18.372 -11.647 15.029 1.00 0.00 C ATOM 945 ND1 HIS A 58 17.880 -12.882 14.666 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.114 -11.519 16.355 1.00 0.00 C ATOM 947 CE1 HIS A 58 17.366 -13.442 15.791 1.00 0.00 C ATOM 948 NE2 HIS A 58 17.486 -12.649 16.836 1.00 0.00 N ATOM 0 H HIS A 58 19.316 -8.618 12.684 1.00 0.00 H new ATOM 0 HA HIS A 58 17.232 -10.552 12.678 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.566 -11.078 13.369 1.00 0.00 H new ATOM 0 HB3 HIS A 58 19.484 -9.880 14.645 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.365 -10.654 16.950 1.00 0.00 H new ATOM 0 HE1 HIS A 58 16.912 -14.422 15.825 1.00 0.00 H new ATOM 0 HE2 HIS A 58 17.181 -12.831 17.792 1.00 0.00 H new ATOM 956 N ASP A 59 16.881 -7.951 14.587 1.00 0.00 N ATOM 957 CA ASP A 59 16.054 -7.099 15.414 1.00 0.00 C ATOM 958 C ASP A 59 14.893 -6.525 14.627 1.00 0.00 C ATOM 959 O ASP A 59 14.177 -5.668 15.132 1.00 0.00 O ATOM 960 CB ASP A 59 16.927 -5.924 15.941 1.00 0.00 C ATOM 961 CG ASP A 59 18.010 -6.471 16.876 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.641 -7.024 17.947 1.00 0.00 O ATOM 963 OD2 ASP A 59 19.215 -6.345 16.530 1.00 0.00 O ATOM 0 H ASP A 59 17.673 -7.424 14.219 1.00 0.00 H new ATOM 0 HA ASP A 59 15.654 -7.694 16.235 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.386 -5.395 15.106 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.304 -5.203 16.471 1.00 0.00 H new ATOM 968 N ARG A 60 14.692 -6.967 13.340 1.00 0.00 N ATOM 969 CA ARG A 60 13.707 -6.542 12.343 1.00 0.00 C ATOM 970 C ARG A 60 12.301 -6.419 12.815 1.00 0.00 C ATOM 971 O ARG A 60 11.709 -5.360 12.768 1.00 0.00 O ATOM 972 CB ARG A 60 13.751 -7.295 10.979 1.00 0.00 C ATOM 973 CG ARG A 60 13.174 -8.713 10.824 1.00 0.00 C ATOM 974 CD ARG A 60 13.691 -9.682 11.882 1.00 0.00 C ATOM 975 NE ARG A 60 13.328 -11.082 11.463 1.00 0.00 N ATOM 976 CZ ARG A 60 13.831 -12.218 12.037 1.00 0.00 C ATOM 977 NH1 ARG A 60 14.740 -12.160 13.050 1.00 0.00 N ATOM 978 NH2 ARG A 60 13.412 -13.436 11.581 1.00 0.00 N ATOM 0 H ARG A 60 15.288 -7.703 12.961 1.00 0.00 H new ATOM 0 HA ARG A 60 14.065 -5.528 12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.240 -6.664 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.797 -7.344 10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.087 -8.666 10.882 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.424 -9.096 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.772 -9.586 11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.254 -9.451 12.853 1.00 0.00 H new ATOM 0 HE ARG A 60 12.661 -11.191 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.060 -11.256 13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.100 -13.021 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.733 -13.490 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.779 -14.291 12.000 1.00 0.00 H new ATOM 992 N LYS A 61 11.740 -7.506 13.367 1.00 0.00 N ATOM 993 CA LYS A 61 10.432 -7.613 13.958 1.00 0.00 C ATOM 994 C LYS A 61 10.206 -6.848 15.235 1.00 0.00 C ATOM 995 O LYS A 61 9.072 -6.540 15.572 1.00 0.00 O ATOM 996 CB LYS A 61 9.691 -8.941 13.701 1.00 0.00 C ATOM 997 CG LYS A 61 8.553 -9.374 14.679 1.00 0.00 C ATOM 998 CD LYS A 61 9.072 -9.986 15.991 1.00 0.00 C ATOM 999 CE LYS A 61 7.993 -10.719 16.797 1.00 0.00 C ATOM 1000 NZ LYS A 61 8.558 -11.304 18.036 1.00 0.00 N ATOM 0 H LYS A 61 12.243 -8.393 13.406 1.00 0.00 H new ATOM 0 HA LYS A 61 9.797 -6.978 13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.263 -8.891 12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.436 -9.737 13.690 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.935 -8.507 14.911 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.911 -10.098 14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.879 -10.682 15.763 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.499 -9.195 16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.191 -10.026 17.051 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.552 -11.507 16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.807 -11.794 18.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.307 -11.982 17.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.957 -10.547 18.627 1.00 0.00 H new ATOM 1014 N LYS A 62 11.242 -6.520 16.039 1.00 0.00 N ATOM 1015 CA LYS A 62 11.112 -5.781 17.302 1.00 0.00 C ATOM 1016 C LYS A 62 10.335 -4.444 17.336 1.00 0.00 C ATOM 1017 O LYS A 62 9.890 -4.029 18.403 1.00 0.00 O ATOM 1018 CB LYS A 62 12.523 -5.664 17.975 1.00 0.00 C ATOM 1019 CG LYS A 62 13.176 -4.271 17.956 1.00 0.00 C ATOM 1020 CD LYS A 62 14.578 -4.272 18.563 1.00 0.00 C ATOM 1021 CE LYS A 62 15.334 -2.997 18.181 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.807 -1.814 18.897 1.00 0.00 N ATOM 0 H LYS A 62 12.206 -6.769 15.819 1.00 0.00 H new ATOM 0 HA LYS A 62 10.424 -6.398 17.880 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.434 -5.986 19.013 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.197 -6.364 17.481 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.229 -3.913 16.928 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.547 -3.571 18.505 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.510 -4.349 19.648 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.129 -5.146 18.216 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.393 -3.119 18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.257 -2.836 17.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.343 -0.969 18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.803 -1.683 18.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.904 -1.957 19.923 1.00 0.00 H new ATOM 1036 N MET A 63 10.103 -3.779 16.169 1.00 0.00 N ATOM 1037 CA MET A 63 9.169 -2.667 16.061 1.00 0.00 C ATOM 1038 C MET A 63 7.990 -3.019 15.142 1.00 0.00 C ATOM 1039 O MET A 63 7.117 -2.185 14.942 1.00 0.00 O ATOM 1040 CB MET A 63 9.791 -1.271 15.784 1.00 0.00 C ATOM 1041 CG MET A 63 10.550 -0.682 16.998 1.00 0.00 C ATOM 1042 SD MET A 63 10.644 1.141 16.975 1.00 0.00 S ATOM 1043 CE MET A 63 11.597 1.367 15.446 1.00 0.00 C ATOM 0 H MET A 63 10.566 -4.013 15.291 1.00 0.00 H new ATOM 0 HA MET A 63 8.776 -2.532 17.069 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.476 -1.348 14.940 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.000 -0.581 15.490 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.057 -1.002 17.916 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.560 -1.091 17.019 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.647 2.428 15.202 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.606 0.979 15.585 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.111 0.830 14.632 1.00 0.00 H new ATOM 1053 N LYS A 64 7.855 -4.273 14.582 1.00 0.00 N ATOM 1054 CA LYS A 64 6.707 -4.763 13.776 1.00 0.00 C ATOM 1055 C LYS A 64 5.490 -4.988 14.683 1.00 0.00 C ATOM 1056 O LYS A 64 4.334 -4.801 14.312 1.00 0.00 O ATOM 1057 CB LYS A 64 7.113 -6.055 13.001 1.00 0.00 C ATOM 1058 CG LYS A 64 6.089 -7.190 12.937 1.00 0.00 C ATOM 1059 CD LYS A 64 6.382 -8.291 11.912 1.00 0.00 C ATOM 1060 CE LYS A 64 5.231 -9.302 11.793 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.598 -10.421 10.898 1.00 0.00 N ATOM 0 H LYS A 64 8.577 -4.985 14.692 1.00 0.00 H new ATOM 0 HA LYS A 64 6.428 -4.013 13.036 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.364 -5.770 11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.023 -6.448 13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.018 -7.647 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.112 -6.761 12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.566 -7.837 10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.294 -8.815 12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.979 -9.689 12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.341 -8.802 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.740 -10.809 10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.242 -10.076 10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.071 -11.165 11.449 1.00 0.00 H new ATOM 1075 N LYS A 65 5.758 -5.348 15.965 1.00 0.00 N ATOM 1076 CA LYS A 65 4.735 -5.451 17.026 1.00 0.00 C ATOM 1077 C LYS A 65 4.178 -4.075 17.516 1.00 0.00 C ATOM 1078 O LYS A 65 3.017 -3.924 17.894 1.00 0.00 O ATOM 1079 CB LYS A 65 5.254 -6.281 18.225 1.00 0.00 C ATOM 1080 CG LYS A 65 5.528 -7.760 17.889 1.00 0.00 C ATOM 1081 CD LYS A 65 4.252 -8.567 17.573 1.00 0.00 C ATOM 1082 CE LYS A 65 3.951 -8.796 16.082 1.00 0.00 C ATOM 1083 NZ LYS A 65 4.958 -9.685 15.463 1.00 0.00 N ATOM 0 H LYS A 65 6.698 -5.575 16.288 1.00 0.00 H new ATOM 0 HA LYS A 65 3.895 -5.969 16.563 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.172 -5.827 18.598 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.523 -6.231 19.032 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.202 -7.811 17.033 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.044 -8.225 18.729 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.330 -9.539 18.061 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.401 -8.053 18.020 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.959 -9.234 15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.937 -7.839 15.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.547 -10.145 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.787 -9.125 15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.249 -10.411 16.149 1.00 0.00 H new ATOM 1097 N VAL A 66 5.047 -3.024 17.436 1.00 0.00 N ATOM 1098 CA VAL A 66 4.804 -1.586 17.673 1.00 0.00 C ATOM 1099 C VAL A 66 4.015 -0.974 16.519 1.00 0.00 C ATOM 1100 O VAL A 66 3.201 -0.070 16.714 1.00 0.00 O ATOM 1101 CB VAL A 66 6.086 -0.763 17.902 1.00 0.00 C ATOM 1102 CG1 VAL A 66 5.775 0.739 18.158 1.00 0.00 C ATOM 1103 CG2 VAL A 66 6.851 -1.351 19.108 1.00 0.00 C ATOM 0 H VAL A 66 6.021 -3.187 17.180 1.00 0.00 H new ATOM 0 HA VAL A 66 4.227 -1.540 18.597 1.00 0.00 H new ATOM 0 HB VAL A 66 6.694 -0.821 16.999 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.707 1.282 18.314 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.253 1.155 17.296 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.146 0.835 19.043 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.760 -0.775 19.278 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.221 -1.305 19.996 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.112 -2.389 18.902 1.00 0.00 H new ATOM 1113 N TRP A 67 4.222 -1.486 15.269 1.00 0.00 N ATOM 1114 CA TRP A 67 3.597 -1.137 13.994 1.00 0.00 C ATOM 1115 C TRP A 67 2.063 -1.179 13.999 1.00 0.00 C ATOM 1116 O TRP A 67 1.387 -0.357 13.384 1.00 0.00 O ATOM 1117 CB TRP A 67 4.216 -1.953 12.820 1.00 0.00 C ATOM 1118 CG TRP A 67 3.633 -1.676 11.459 1.00 0.00 C ATOM 1119 CD1 TRP A 67 2.690 -2.410 10.817 1.00 0.00 C ATOM 1120 CD2 TRP A 67 3.659 -0.399 10.822 1.00 0.00 C ATOM 1121 NE1 TRP A 67 2.248 -1.742 9.714 1.00 0.00 N ATOM 1122 CE2 TRP A 67 2.794 -0.474 9.735 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.306 0.748 11.154 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 2.555 0.623 8.964 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.009 1.872 10.429 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.124 1.818 9.368 1.00 0.00 C ATOM 0 H TRP A 67 4.907 -2.231 15.137 1.00 0.00 H new ATOM 0 HA TRP A 67 3.830 -0.085 13.832 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.287 -1.751 12.785 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.099 -3.015 13.037 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.340 -3.382 11.134 1.00 0.00 H new ATOM 0 HE1 TRP A 67 1.623 -2.114 8.998 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.027 0.773 11.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.946 0.563 8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.472 2.812 10.690 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.871 2.728 8.843 1.00 0.00 H new ATOM 1137 N ASP A 68 1.518 -2.112 14.811 1.00 0.00 N ATOM 1138 CA ASP A 68 0.126 -2.374 15.178 1.00 0.00 C ATOM 1139 C ASP A 68 -0.571 -1.114 15.756 1.00 0.00 C ATOM 1140 O ASP A 68 -1.662 -0.726 15.352 1.00 0.00 O ATOM 1141 CB ASP A 68 0.191 -3.521 16.230 1.00 0.00 C ATOM 1142 CG ASP A 68 0.830 -4.815 15.684 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.047 -4.932 14.450 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.077 -5.726 16.520 1.00 0.00 O ATOM 0 H ASP A 68 2.131 -2.779 15.279 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.468 -2.652 14.307 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.760 -3.180 17.095 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.818 -3.742 16.579 1.00 0.00 H new ATOM 1149 N ARG A 69 0.158 -0.403 16.662 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.105 0.943 17.170 1.00 0.00 C ATOM 1151 C ARG A 69 0.278 2.073 16.197 1.00 0.00 C ATOM 1152 O ARG A 69 -0.505 2.999 15.998 1.00 0.00 O ATOM 1153 CB ARG A 69 0.572 1.107 18.559 1.00 0.00 C ATOM 1154 CG ARG A 69 0.420 2.467 19.282 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.035 2.921 19.480 1.00 0.00 C ATOM 1156 NE ARG A 69 -1.026 4.246 20.190 1.00 0.00 N ATOM 1157 CZ ARG A 69 -2.165 4.957 20.458 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -3.392 4.470 20.115 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -2.070 6.173 21.073 1.00 0.00 N ATOM 0 H ARG A 69 1.002 -0.799 17.076 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.185 1.044 17.277 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.178 0.333 19.217 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.637 0.910 18.437 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.904 2.403 20.257 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.951 3.229 18.712 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.539 3.010 18.518 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.587 2.183 20.062 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.130 4.633 20.486 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.470 3.564 19.652 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.231 5.011 20.321 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.155 6.545 21.329 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.914 6.709 21.276 1.00 0.00 H new ATOM 1173 N ALA A 70 1.479 2.044 15.534 1.00 0.00 N ATOM 1174 CA ALA A 70 2.017 3.063 14.601 1.00 0.00 C ATOM 1175 C ALA A 70 1.120 3.495 13.423 1.00 0.00 C ATOM 1176 O ALA A 70 1.036 4.668 13.061 1.00 0.00 O ATOM 1177 CB ALA A 70 3.332 2.570 13.997 1.00 0.00 C ATOM 0 H ALA A 70 2.124 1.262 15.650 1.00 0.00 H new ATOM 0 HA ALA A 70 2.118 3.941 15.238 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.723 3.323 13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.055 2.394 14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.157 1.641 13.454 1.00 0.00 H new ATOM 1183 N VAL A 71 0.385 2.491 12.854 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.710 2.511 11.867 1.00 0.00 C ATOM 1185 C VAL A 71 -1.850 3.450 12.232 1.00 0.00 C ATOM 1186 O VAL A 71 -2.389 4.093 11.341 1.00 0.00 O ATOM 1187 CB VAL A 71 -1.268 1.113 11.539 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -2.621 1.088 10.777 1.00 0.00 C ATOM 1189 CG2 VAL A 71 -0.237 0.423 10.641 1.00 0.00 C ATOM 0 H VAL A 71 0.584 1.527 13.122 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.234 2.903 10.968 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.450 0.625 12.496 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.919 0.055 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.384 1.588 11.374 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.511 1.603 9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.590 -0.575 10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.098 1.007 9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.713 0.345 11.170 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.194 3.630 13.554 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.171 4.599 14.095 1.00 0.00 C ATOM 1201 C ASP A 72 -2.802 6.058 13.720 1.00 0.00 C ATOM 1202 O ASP A 72 -3.639 6.826 13.259 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.412 4.318 15.622 1.00 0.00 C ATOM 1204 CG ASP A 72 -4.368 5.296 16.320 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -5.563 5.342 15.923 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -3.909 6.008 17.253 1.00 0.00 O ATOM 0 H ASP A 72 -1.768 3.069 14.291 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.142 4.460 13.620 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.806 3.308 15.732 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.451 4.343 16.136 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.487 6.393 13.797 1.00 0.00 N ATOM 1212 CA PHE A 73 -0.792 7.592 13.301 1.00 0.00 C ATOM 1213 C PHE A 73 -0.731 7.666 11.747 1.00 0.00 C ATOM 1214 O PHE A 73 -1.175 8.663 11.182 1.00 0.00 O ATOM 1215 CB PHE A 73 0.659 7.665 13.912 1.00 0.00 C ATOM 1216 CG PHE A 73 0.816 7.144 15.346 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.183 7.256 16.308 1.00 0.00 C ATOM 1218 CD2 PHE A 73 2.018 6.571 15.757 1.00 0.00 C ATOM 1219 CE1 PHE A 73 0.004 6.816 17.604 1.00 0.00 C ATOM 1220 CE2 PHE A 73 2.208 6.127 17.051 1.00 0.00 C ATOM 1221 CZ PHE A 73 1.200 6.251 17.980 1.00 0.00 C ATOM 0 H PHE A 73 -0.830 5.762 14.255 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.375 8.453 13.628 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.332 7.100 13.267 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.990 8.703 13.886 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.129 7.699 16.034 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.823 6.471 15.044 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.793 6.916 18.326 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.150 5.681 17.335 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.347 5.908 18.994 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.224 6.614 11.006 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.185 6.506 9.502 1.00 0.00 C ATOM 1233 C LEU A 74 -1.491 6.763 8.769 1.00 0.00 C ATOM 1234 O LEU A 74 -1.589 7.610 7.884 1.00 0.00 O ATOM 1235 CB LEU A 74 0.105 5.021 9.031 1.00 0.00 C ATOM 1236 CG LEU A 74 0.626 4.887 7.578 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.085 5.318 7.498 1.00 0.00 C ATOM 1238 CD2 LEU A 74 0.406 3.473 7.011 1.00 0.00 C ATOM 0 H LEU A 74 0.181 5.794 11.458 1.00 0.00 H new ATOM 0 HA LEU A 74 0.571 7.256 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.837 4.578 9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.812 4.439 9.128 1.00 0.00 H new ATOM 0 HG LEU A 74 0.042 5.557 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.438 5.219 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.175 6.357 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.687 4.687 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.787 3.427 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.935 2.747 7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.659 3.242 7.011 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.526 6.008 9.183 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.839 5.894 8.625 1.00 0.00 C ATOM 1252 C ALA A 75 -4.757 7.109 8.743 1.00 0.00 C ATOM 1253 O ALA A 75 -5.759 7.194 8.043 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.358 4.546 9.142 1.00 0.00 C ATOM 0 H ALA A 75 -2.427 5.410 10.004 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.809 5.899 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.365 4.374 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.700 3.747 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.379 4.558 10.232 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.399 8.133 9.579 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.093 9.407 9.651 1.00 0.00 C ATOM 1262 C ALA A 76 -4.564 10.418 8.609 1.00 0.00 C ATOM 1263 O ALA A 76 -5.168 11.464 8.394 1.00 0.00 O ATOM 1264 CB ALA A 76 -4.953 9.961 11.087 1.00 0.00 C ATOM 0 H ALA A 76 -3.607 8.070 10.219 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.145 9.250 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.469 10.919 11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.394 9.257 11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.898 10.099 11.323 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.422 10.119 7.932 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.803 11.006 6.951 1.00 0.00 C ATOM 1272 C ASN A 77 -2.176 10.370 5.708 1.00 0.00 C ATOM 1273 O ASN A 77 -2.030 11.055 4.695 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.799 11.995 7.622 1.00 0.00 C ATOM 1275 CG ASN A 77 -0.751 11.414 8.583 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -0.364 12.136 9.501 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.229 10.186 8.395 1.00 0.00 N ATOM 0 H ASN A 77 -2.914 9.245 8.064 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.666 11.540 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.269 12.523 6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.378 12.739 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.500 9.841 9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.563 9.602 7.628 1.00 0.00 H new ATOM 1284 N GLU A 78 -1.752 9.078 5.706 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.041 8.505 4.567 1.00 0.00 C ATOM 1286 C GLU A 78 -1.324 7.023 4.333 1.00 0.00 C ATOM 1287 O GLU A 78 -1.400 6.201 5.243 1.00 0.00 O ATOM 1288 CB GLU A 78 0.502 8.710 4.734 1.00 0.00 C ATOM 1289 CG GLU A 78 1.336 8.419 3.465 1.00 0.00 C ATOM 1290 CD GLU A 78 2.807 8.785 3.657 1.00 0.00 C ATOM 1291 OE1 GLU A 78 3.085 9.938 4.082 1.00 0.00 O ATOM 1292 OE2 GLU A 78 3.672 7.917 3.365 1.00 0.00 O ATOM 0 H GLU A 78 -1.896 8.431 6.481 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.414 9.038 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.686 9.738 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.855 8.066 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.254 7.362 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.928 8.981 2.625 1.00 0.00 H new ATOM 1299 N SER A 79 -1.411 6.660 3.032 1.00 0.00 N ATOM 1300 CA SER A 79 -1.523 5.309 2.495 1.00 0.00 C ATOM 1301 C SER A 79 -1.013 5.394 1.060 1.00 0.00 C ATOM 1302 O SER A 79 -1.802 5.352 0.119 1.00 0.00 O ATOM 1303 CB SER A 79 -2.969 4.713 2.545 1.00 0.00 C ATOM 1304 OG SER A 79 -3.019 3.319 2.210 1.00 0.00 O ATOM 0 H SER A 79 -1.403 7.360 2.290 1.00 0.00 H new ATOM 0 HA SER A 79 -0.939 4.624 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.379 4.854 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.607 5.268 1.858 1.00 0.00 H new ATOM 0 HG SER A 79 -2.502 3.160 1.393 1.00 0.00 H new ATOM 1310 N ARG A 80 0.329 5.524 0.856 1.00 0.00 N ATOM 1311 CA ARG A 80 0.986 5.687 -0.441 1.00 0.00 C ATOM 1312 C ARG A 80 1.482 4.352 -1.062 1.00 0.00 C ATOM 1313 O ARG A 80 2.523 4.317 -1.728 1.00 0.00 O ATOM 1314 CB ARG A 80 2.100 6.769 -0.304 1.00 0.00 C ATOM 1315 CG ARG A 80 2.081 7.847 -1.413 1.00 0.00 C ATOM 1316 CD ARG A 80 0.867 8.794 -1.407 1.00 0.00 C ATOM 1317 NE ARG A 80 0.845 9.586 -0.126 1.00 0.00 N ATOM 1318 CZ ARG A 80 -0.124 10.512 0.158 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -1.135 10.760 -0.724 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -0.079 11.196 1.339 1.00 0.00 N ATOM 0 H ARG A 80 0.993 5.516 1.630 1.00 0.00 H new ATOM 0 HA ARG A 80 0.249 6.035 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.997 7.259 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.072 6.276 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.987 8.447 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.123 7.347 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.916 9.469 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.054 8.220 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 80 1.583 9.426 0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.176 10.253 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.850 11.452 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.673 11.016 2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.798 11.887 1.556 1.00 0.00 H new ATOM 1334 N VAL A 81 0.702 3.240 -0.841 1.00 0.00 N ATOM 1335 CA VAL A 81 0.799 1.876 -1.353 1.00 0.00 C ATOM 1336 C VAL A 81 -0.675 1.468 -1.227 1.00 0.00 C ATOM 1337 O VAL A 81 -1.387 2.047 -0.407 1.00 0.00 O ATOM 1338 CB VAL A 81 1.796 0.966 -0.588 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.247 -0.412 -0.162 1.00 0.00 C ATOM 1340 CG2 VAL A 81 3.051 0.707 -1.449 1.00 0.00 C ATOM 0 H VAL A 81 -0.102 3.318 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 81 1.216 1.787 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 81 2.014 1.524 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.024 -0.966 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.390 -0.274 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.939 -0.970 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.743 0.067 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.760 0.215 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.537 1.655 -1.678 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.172 0.493 -2.028 1.00 0.00 N ATOM 1351 CA ARG A 82 -2.525 -0.065 -2.067 1.00 0.00 C ATOM 1352 C ARG A 82 -2.654 -1.363 -1.264 1.00 0.00 C ATOM 1353 O ARG A 82 -1.791 -2.238 -1.359 1.00 0.00 O ATOM 1354 CB ARG A 82 -2.872 -0.418 -3.546 1.00 0.00 C ATOM 1355 CG ARG A 82 -4.271 -1.006 -3.820 1.00 0.00 C ATOM 1356 CD ARG A 82 -4.478 -1.278 -5.317 1.00 0.00 C ATOM 1357 NE ARG A 82 -5.827 -1.914 -5.512 1.00 0.00 N ATOM 1358 CZ ARG A 82 -6.216 -2.498 -6.688 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -5.372 -2.549 -7.759 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -7.465 -3.040 -6.788 1.00 0.00 N ATOM 0 H ARG A 82 -0.573 0.045 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.192 0.683 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.763 0.487 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.130 -1.130 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.395 -1.932 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.035 -0.314 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.414 -0.348 -5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.693 -1.934 -5.693 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.483 -1.910 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.436 -2.149 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.677 -2.988 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.100 -3.008 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.763 -3.477 -7.660 1.00 0.00 H new ATOM 1374 N THR A 83 -3.766 -1.553 -0.494 1.00 0.00 N ATOM 1375 CA THR A 83 -4.078 -2.780 0.256 1.00 0.00 C ATOM 1376 C THR A 83 -5.066 -3.609 -0.556 1.00 0.00 C ATOM 1377 O THR A 83 -6.106 -3.126 -1.005 1.00 0.00 O ATOM 1378 CB THR A 83 -4.627 -2.604 1.690 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.415 -1.284 2.173 1.00 0.00 O ATOM 1380 CG2 THR A 83 -3.901 -3.579 2.639 1.00 0.00 C ATOM 0 H THR A 83 -4.479 -0.832 -0.384 1.00 0.00 H new ATOM 0 HA THR A 83 -3.115 -3.271 0.395 1.00 0.00 H new ATOM 0 HB THR A 83 -5.698 -2.804 1.660 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.775 -1.206 3.081 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.287 -3.457 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.071 -4.603 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.832 -3.367 2.630 1.00 0.00 H new ATOM 1388 N GLU A 84 -4.753 -4.910 -0.742 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.558 -5.847 -1.506 1.00 0.00 C ATOM 1390 C GLU A 84 -5.497 -7.247 -0.890 1.00 0.00 C ATOM 1391 O GLU A 84 -4.465 -7.656 -0.358 1.00 0.00 O ATOM 1392 CB GLU A 84 -4.984 -5.852 -2.954 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.673 -6.802 -3.950 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.158 -6.484 -5.351 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -3.966 -6.782 -5.627 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.949 -5.938 -6.164 1.00 0.00 O ATOM 0 H GLU A 84 -3.912 -5.333 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.607 -5.550 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.042 -4.838 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.927 -6.115 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.460 -7.840 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.755 -6.678 -3.906 1.00 0.00 H new ATOM 1403 N THR A 85 -6.599 -8.046 -0.991 1.00 0.00 N ATOM 1404 CA THR A 85 -6.679 -9.468 -0.608 1.00 0.00 C ATOM 1405 C THR A 85 -6.521 -10.261 -1.904 1.00 0.00 C ATOM 1406 O THR A 85 -7.327 -10.118 -2.822 1.00 0.00 O ATOM 1407 CB THR A 85 -7.965 -9.886 0.132 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.660 -8.765 0.667 1.00 0.00 O ATOM 1409 CG2 THR A 85 -7.553 -10.777 1.317 1.00 0.00 C ATOM 0 H THR A 85 -7.484 -7.694 -1.356 1.00 0.00 H new ATOM 0 HA THR A 85 -5.894 -9.670 0.121 1.00 0.00 H new ATOM 0 HB THR A 85 -8.618 -10.396 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.470 -9.071 1.127 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.443 -11.091 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.027 -11.656 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.897 -10.216 1.983 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.451 -11.073 -2.065 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.140 -11.701 -3.351 1.00 0.00 C ATOM 1419 C ARG A 86 -4.875 -13.179 -3.153 1.00 0.00 C ATOM 1420 O ARG A 86 -4.370 -13.589 -2.111 1.00 0.00 O ATOM 1421 CB ARG A 86 -3.946 -10.927 -3.993 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.528 -11.348 -5.418 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.643 -11.258 -6.482 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.879 -9.824 -6.875 1.00 0.00 N ATOM 1425 CZ ARG A 86 -5.703 -9.477 -7.914 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -6.428 -10.424 -8.579 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -5.793 -8.171 -8.298 1.00 0.00 N ATOM 0 H ARG A 86 -4.796 -11.303 -1.318 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.981 -11.642 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.200 -9.867 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.080 -11.035 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.694 -10.722 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.162 -12.374 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.365 -11.841 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.564 -11.691 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.410 -9.086 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.360 -11.404 -8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.037 -10.151 -9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.249 -7.458 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.405 -7.908 -9.071 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.216 -14.042 -4.155 1.00 0.00 N ATOM 1442 CA ARG A 87 -5.025 -15.489 -4.113 1.00 0.00 C ATOM 1443 C ARG A 87 -3.654 -15.914 -4.649 1.00 0.00 C ATOM 1444 O ARG A 87 -3.322 -15.643 -5.800 1.00 0.00 O ATOM 1445 CB ARG A 87 -6.152 -16.232 -4.874 1.00 0.00 C ATOM 1446 CG ARG A 87 -6.237 -17.735 -4.531 1.00 0.00 C ATOM 1447 CD ARG A 87 -7.422 -18.467 -5.187 1.00 0.00 C ATOM 1448 NE ARG A 87 -8.727 -17.878 -4.712 1.00 0.00 N ATOM 1449 CZ ARG A 87 -9.311 -18.168 -3.505 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -8.745 -19.056 -2.638 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -10.482 -17.551 -3.165 1.00 0.00 N ATOM 0 H ARG A 87 -5.640 -13.724 -5.026 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.069 -15.772 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.107 -15.760 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.991 -16.120 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.310 -18.219 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.310 -17.846 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.352 -18.387 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.383 -19.528 -4.942 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.206 -17.222 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.870 -19.520 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.197 -19.256 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.912 -16.884 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.926 -17.758 -2.271 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.818 -16.588 -3.820 1.00 0.00 N ATOM 1466 CA ILE A 88 -1.469 -17.032 -4.174 1.00 0.00 C ATOM 1467 C ILE A 88 -1.329 -18.466 -3.707 1.00 0.00 C ATOM 1468 O ILE A 88 -1.571 -18.774 -2.542 1.00 0.00 O ATOM 1469 CB ILE A 88 -0.337 -16.142 -3.627 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.568 -15.617 -2.178 1.00 0.00 C ATOM 1471 CG2 ILE A 88 -0.125 -15.007 -4.652 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.180 -14.207 -2.089 1.00 0.00 C ATOM 0 H ILE A 88 -3.081 -16.838 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.356 -16.954 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 88 0.567 -16.741 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.222 -16.315 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.386 -15.617 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.671 -14.348 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.151 -15.434 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.047 -14.436 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.303 -13.929 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.519 -13.492 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.152 -14.200 -2.583 1.00 0.00 H new ATOM 1484 N GLY A 89 -0.999 -19.415 -4.647 1.00 0.00 N ATOM 1485 CA GLY A 89 -0.880 -20.889 -4.390 1.00 0.00 C ATOM 1486 C GLY A 89 -2.187 -21.567 -4.029 1.00 0.00 C ATOM 1487 O GLY A 89 -2.213 -22.601 -3.373 1.00 0.00 O ATOM 0 H GLY A 89 -0.806 -19.170 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.469 -21.369 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.166 -21.049 -3.582 1.00 0.00 H new ATOM 1491 N GLY A 90 -3.312 -20.923 -4.425 1.00 0.00 N ATOM 1492 CA GLY A 90 -4.689 -21.303 -4.058 1.00 0.00 C ATOM 1493 C GLY A 90 -5.185 -20.732 -2.736 1.00 0.00 C ATOM 1494 O GLY A 90 -6.218 -21.172 -2.245 1.00 0.00 O ATOM 0 H GLY A 90 -3.280 -20.100 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.363 -20.979 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.750 -22.390 -4.012 1.00 0.00 H new ATOM 1498 N ALA A 91 -4.488 -19.749 -2.096 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.872 -19.225 -0.796 1.00 0.00 C ATOM 1500 C ALA A 91 -4.873 -17.692 -0.819 1.00 0.00 C ATOM 1501 O ALA A 91 -3.970 -17.067 -1.369 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.903 -19.773 0.268 1.00 0.00 C ATOM 0 H ALA A 91 -3.651 -19.314 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.884 -19.546 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.182 -19.386 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.954 -20.862 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.886 -19.460 0.030 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.920 -17.058 -0.230 1.00 0.00 N ATOM 1509 CA ASP A 92 -6.213 -15.635 -0.140 1.00 0.00 C ATOM 1510 C ASP A 92 -5.670 -15.015 1.158 1.00 0.00 C ATOM 1511 O ASP A 92 -6.172 -15.276 2.251 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.765 -15.474 -0.250 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.239 -14.039 -0.509 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.852 -13.468 -1.562 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.011 -13.510 0.334 1.00 0.00 O ATOM 0 H ASP A 92 -6.645 -17.603 0.237 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.716 -15.100 -0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.128 -16.114 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.221 -15.833 0.673 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.623 -14.155 1.063 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.001 -13.456 2.187 1.00 0.00 C ATOM 1522 C PHE A 93 -4.031 -11.969 1.867 1.00 0.00 C ATOM 1523 O PHE A 93 -4.318 -11.584 0.732 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.511 -13.868 2.437 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.327 -15.366 2.442 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.901 -16.176 3.408 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.558 -15.961 1.456 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.718 -17.549 3.374 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.387 -17.326 1.406 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.961 -18.123 2.373 1.00 0.00 C ATOM 0 H PHE A 93 -4.185 -13.931 0.169 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.558 -13.716 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.880 -13.429 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.178 -13.460 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.496 -15.734 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.082 -15.341 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.169 -18.172 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.805 -17.771 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.819 -19.193 2.347 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.692 -11.084 2.846 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.621 -9.639 2.636 1.00 0.00 C ATOM 1542 C LEU A 94 -2.165 -9.259 2.327 1.00 0.00 C ATOM 1543 O LEU A 94 -1.238 -9.672 3.026 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.208 -8.860 3.845 1.00 0.00 C ATOM 1545 CG LEU A 94 -4.850 -7.484 3.518 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.246 -7.638 2.878 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -5.028 -6.685 4.826 1.00 0.00 C ATOM 0 H LEU A 94 -3.463 -11.369 3.798 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.238 -9.356 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.961 -9.486 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.412 -8.704 4.573 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.189 -6.974 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.659 -6.652 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.161 -8.204 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.905 -8.167 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.478 -5.718 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.676 -7.239 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.056 -6.533 5.295 1.00 0.00 H new ATOM 1559 N VAL A 95 -1.951 -8.484 1.235 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.660 -8.046 0.711 1.00 0.00 C ATOM 1561 C VAL A 95 -0.736 -6.533 0.496 1.00 0.00 C ATOM 1562 O VAL A 95 -1.833 -5.978 0.372 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.303 -8.759 -0.612 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -0.083 -10.269 -0.340 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.403 -8.565 -1.699 1.00 0.00 C ATOM 0 H VAL A 95 -2.728 -8.135 0.674 1.00 0.00 H new ATOM 0 HA VAL A 95 0.125 -8.300 1.424 1.00 0.00 H new ATOM 0 HB VAL A 95 0.613 -8.312 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.169 -10.774 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.732 -10.395 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.995 -10.701 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.108 -9.084 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.347 -8.973 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.524 -7.502 -1.909 1.00 0.00 H new ATOM 1575 N TRP A 96 0.429 -5.824 0.426 1.00 0.00 N ATOM 1576 CA TRP A 96 0.436 -4.350 0.141 1.00 0.00 C ATOM 1577 C TRP A 96 1.172 -4.201 -1.223 1.00 0.00 C ATOM 1578 O TRP A 96 2.161 -4.896 -1.447 1.00 0.00 O ATOM 1579 CB TRP A 96 1.204 -3.652 1.312 1.00 0.00 C ATOM 1580 CG TRP A 96 0.424 -2.781 2.303 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.612 -1.910 2.099 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.828 -2.599 3.670 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.792 -1.098 3.205 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.074 -1.540 4.192 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.767 -3.250 4.424 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.269 -1.116 5.477 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 1.894 -2.882 5.743 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.187 -1.810 6.244 1.00 0.00 C ATOM 0 H TRP A 96 1.354 -6.233 0.559 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.553 -3.896 0.077 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.707 -4.431 1.885 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.982 -3.030 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.207 -1.863 1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.443 -0.317 3.280 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.386 -4.025 3.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.273 -0.272 5.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.554 -3.438 6.392 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.355 -1.503 7.266 1.00 0.00 H new ATOM 1599 N ARG A 97 0.737 -3.350 -2.202 1.00 0.00 N ATOM 1600 CA ARG A 97 1.272 -3.313 -3.572 1.00 0.00 C ATOM 1601 C ARG A 97 1.381 -1.868 -4.046 1.00 0.00 C ATOM 1602 O ARG A 97 0.706 -1.013 -3.494 1.00 0.00 O ATOM 1603 CB ARG A 97 0.264 -4.176 -4.384 1.00 0.00 C ATOM 1604 CG ARG A 97 -0.403 -3.611 -5.649 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.613 -4.461 -6.065 1.00 0.00 C ATOM 1606 NE ARG A 97 -2.190 -3.941 -7.354 1.00 0.00 N ATOM 1607 CZ ARG A 97 -1.826 -4.393 -8.596 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -0.879 -5.363 -8.746 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -2.427 -3.861 -9.701 1.00 0.00 N ATOM 0 H ARG A 97 -0.005 -2.668 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 97 2.282 -3.708 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.783 -5.090 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.535 -4.466 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.721 -2.584 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.321 -3.581 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.312 -5.502 -6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.371 -4.437 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.896 -3.207 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.427 -5.766 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.623 -5.685 -9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.137 -3.136 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.166 -4.188 -10.631 1.00 0.00 H new ATOM 1623 N TRP A 98 2.221 -1.475 -5.051 1.00 0.00 N ATOM 1624 CA TRP A 98 2.427 -0.039 -5.368 1.00 0.00 C ATOM 1625 C TRP A 98 1.476 0.810 -6.268 1.00 0.00 C ATOM 1626 O TRP A 98 1.165 0.471 -7.409 1.00 0.00 O ATOM 1627 CB TRP A 98 3.903 0.201 -5.784 1.00 0.00 C ATOM 1628 CG TRP A 98 4.511 1.389 -5.066 1.00 0.00 C ATOM 1629 CD1 TRP A 98 4.344 2.723 -5.284 1.00 0.00 C ATOM 1630 CD2 TRP A 98 5.280 1.293 -3.861 1.00 0.00 C ATOM 1631 NE1 TRP A 98 5.105 3.432 -4.459 1.00 0.00 N ATOM 1632 CE2 TRP A 98 5.575 2.590 -3.479 1.00 0.00 C ATOM 1633 CE3 TRP A 98 5.672 0.225 -3.114 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 6.186 2.835 -2.301 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 6.460 0.477 -2.016 1.00 0.00 C ATOM 1636 CH2 TRP A 98 6.663 1.761 -1.581 1.00 0.00 C ATOM 0 H TRP A 98 2.751 -2.119 -5.638 1.00 0.00 H new ATOM 0 HA TRP A 98 2.118 0.370 -4.406 1.00 0.00 H new ATOM 0 HB2 TRP A 98 4.490 -0.692 -5.568 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.954 0.363 -6.861 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.683 3.146 -6.026 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.306 4.429 -4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.376 -0.781 -3.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.298 3.844 -1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 6.924 -0.345 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 98 7.204 1.933 -0.662 1.00 0.00 H new ATOM 1647 N ILE A 99 1.076 2.014 -5.744 1.00 0.00 N ATOM 1648 CA ILE A 99 0.317 3.082 -6.399 1.00 0.00 C ATOM 1649 C ILE A 99 1.182 4.335 -6.244 1.00 0.00 C ATOM 1650 O ILE A 99 1.698 4.622 -5.166 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.101 3.301 -5.861 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -1.114 3.545 -4.330 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -1.952 2.087 -6.306 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -2.516 3.695 -3.730 1.00 0.00 C ATOM 0 H ILE A 99 1.303 2.260 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 99 0.134 2.813 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.535 4.212 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.607 2.716 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.539 4.445 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.972 2.205 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.960 2.028 -7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.524 1.172 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.436 3.863 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.021 4.543 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.089 2.786 -3.914 1.00 0.00 H new ATOM 1666 N GLN A 100 1.424 5.058 -7.363 1.00 0.00 N ATOM 1667 CA GLN A 100 2.342 6.182 -7.497 1.00 0.00 C ATOM 1668 C GLN A 100 1.576 7.413 -8.038 1.00 0.00 C ATOM 1669 O GLN A 100 1.207 7.407 -9.211 1.00 0.00 O ATOM 1670 CB GLN A 100 3.519 5.778 -8.470 1.00 0.00 C ATOM 1671 CG GLN A 100 3.357 4.386 -9.153 1.00 0.00 C ATOM 1672 CD GLN A 100 2.390 4.476 -10.338 1.00 0.00 C ATOM 1673 OE1 GLN A 100 2.649 5.201 -11.304 1.00 0.00 O ATOM 1674 NE2 GLN A 100 1.230 3.771 -10.283 1.00 0.00 N ATOM 0 H GLN A 100 0.948 4.849 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 100 2.764 6.439 -6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.607 6.539 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.453 5.785 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.328 4.028 -9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.987 3.660 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.032 3.177 -9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.557 3.836 -11.047 1.00 0.00 H new