USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 73 THR OG1 : rot 105:sc= 1.04 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0.848 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.412) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc=-0.00595 USER MOD Single : A 25 MET CE :methyl -167:sc= -2.76! (180deg=-3.51!) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.19 (180deg=0.797) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0868) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 159:sc= -0.688! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -95:sc= 1.25 USER MOD Single : A 44 SER OG : rot 180:sc= -0.123 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.17) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00963 USER MOD Single : A 76 GLN : amide:sc= -0.96 K(o=-0.96,f=-3!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 79 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.15) USER MOD Single : A 89 LYS NZ :NH3+ -133:sc= 1.23 (180deg=-0.19) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0.73) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0757 (180deg=-0.375) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.750 -6.779 3.255 1.00 0.00 N ATOM 329 CA ALA A 22 4.236 -5.521 2.687 1.00 0.00 C ATOM 330 C ALA A 22 4.210 -4.403 3.721 1.00 0.00 C ATOM 331 O ALA A 22 3.150 -3.868 4.059 1.00 0.00 O ATOM 332 CB ALA A 22 3.419 -5.138 1.457 1.00 0.00 C ATOM 0 HA ALA A 22 5.272 -5.668 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.795 -4.200 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.505 -5.922 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.373 -5.018 1.738 1.00 0.00 H new ATOM 338 N GLU A 23 5.384 -4.070 4.228 1.00 0.00 N ATOM 339 CA GLU A 23 5.517 -3.060 5.256 1.00 0.00 C ATOM 340 C GLU A 23 6.391 -1.914 4.758 1.00 0.00 C ATOM 341 O GLU A 23 7.342 -2.126 4.000 1.00 0.00 O ATOM 342 CB GLU A 23 6.143 -3.681 6.507 1.00 0.00 C ATOM 343 CG GLU A 23 6.033 -2.828 7.760 1.00 0.00 C ATOM 344 CD GLU A 23 4.715 -3.017 8.479 1.00 0.00 C ATOM 345 OE1 GLU A 23 3.698 -2.446 8.032 1.00 0.00 O ATOM 346 OE2 GLU A 23 4.688 -3.732 9.504 1.00 0.00 O ATOM 0 H GLU A 23 6.267 -4.491 3.938 1.00 0.00 H new ATOM 0 HA GLU A 23 4.529 -2.669 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.667 -4.643 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.196 -3.879 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.851 -3.076 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.149 -1.778 7.492 1.00 0.00 H new ATOM 353 N ILE A 24 6.050 -0.705 5.172 1.00 0.00 N ATOM 354 CA ILE A 24 6.860 0.469 4.867 1.00 0.00 C ATOM 355 C ILE A 24 7.991 0.579 5.888 1.00 0.00 C ATOM 356 O ILE A 24 7.746 0.534 7.096 1.00 0.00 O ATOM 357 CB ILE A 24 6.021 1.773 4.904 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.986 1.797 3.774 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.922 3.007 4.831 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.573 2.087 2.410 1.00 0.00 C ATOM 0 H ILE A 24 5.215 -0.508 5.723 1.00 0.00 H new ATOM 0 HA ILE A 24 7.258 0.348 3.859 1.00 0.00 H new ATOM 0 HB ILE A 24 5.487 1.795 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.476 0.834 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.232 2.550 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.309 3.908 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.607 3.008 5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.494 2.986 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.778 2.087 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.058 3.063 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.306 1.320 2.159 1.00 0.00 H new ATOM 372 N MET A 25 9.217 0.731 5.412 1.00 0.00 N ATOM 373 CA MET A 25 10.367 0.758 6.301 1.00 0.00 C ATOM 374 C MET A 25 11.038 2.129 6.290 1.00 0.00 C ATOM 375 O MET A 25 10.878 2.904 5.345 1.00 0.00 O ATOM 376 CB MET A 25 11.378 -0.316 5.895 1.00 0.00 C ATOM 377 CG MET A 25 10.799 -1.719 5.842 1.00 0.00 C ATOM 378 SD MET A 25 10.047 -2.230 7.395 1.00 0.00 S ATOM 379 CE MET A 25 9.595 -3.915 6.998 1.00 0.00 C ATOM 0 H MET A 25 9.440 0.837 4.422 1.00 0.00 H new ATOM 0 HA MET A 25 10.013 0.555 7.312 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.786 -0.065 4.916 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.209 -0.303 6.600 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.052 -1.768 5.050 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.589 -2.422 5.579 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.918 -4.300 7.761 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.099 -3.940 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.492 -4.534 6.963 1.00 0.00 H new ATOM 389 N LYS A 26 11.779 2.420 7.352 1.00 0.00 N ATOM 390 CA LYS A 26 12.564 3.635 7.441 1.00 0.00 C ATOM 391 C LYS A 26 13.848 3.454 6.656 1.00 0.00 C ATOM 392 O LYS A 26 14.348 2.344 6.556 1.00 0.00 O ATOM 393 CB LYS A 26 12.896 3.927 8.902 1.00 0.00 C ATOM 394 CG LYS A 26 11.669 4.036 9.790 1.00 0.00 C ATOM 395 CD LYS A 26 12.036 4.362 11.231 1.00 0.00 C ATOM 396 CE LYS A 26 12.929 3.297 11.854 1.00 0.00 C ATOM 397 NZ LYS A 26 12.344 1.934 11.738 1.00 0.00 N ATOM 0 H LYS A 26 11.850 1.818 8.173 1.00 0.00 H new ATOM 0 HA LYS A 26 11.995 4.469 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.543 3.138 9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.461 4.858 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.007 4.809 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.115 3.098 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.545 5.325 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.126 4.461 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.905 3.314 11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.092 3.532 12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.905 1.266 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.364 1.946 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.353 1.636 10.742 1.00 0.00 H new ATOM 411 N LYS A 27 14.400 4.534 6.133 1.00 0.00 N ATOM 412 CA LYS A 27 15.588 4.443 5.287 1.00 0.00 C ATOM 413 C LYS A 27 16.765 3.816 6.036 1.00 0.00 C ATOM 414 O LYS A 27 17.687 3.284 5.418 1.00 0.00 O ATOM 415 CB LYS A 27 15.975 5.815 4.735 1.00 0.00 C ATOM 416 CG LYS A 27 15.158 6.233 3.517 1.00 0.00 C ATOM 417 CD LYS A 27 13.710 6.541 3.866 1.00 0.00 C ATOM 418 CE LYS A 27 12.885 6.867 2.626 1.00 0.00 C ATOM 419 NZ LYS A 27 13.400 8.059 1.895 1.00 0.00 N ATOM 0 H LYS A 27 14.051 5.482 6.275 1.00 0.00 H new ATOM 0 HA LYS A 27 15.340 3.792 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.851 6.562 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.032 5.806 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.614 7.112 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.188 5.437 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.271 5.686 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.674 7.382 4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.885 6.006 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.850 7.043 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.732 8.320 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.504 8.854 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.325 7.836 1.475 1.00 0.00 H new ATOM 433 N THR A 28 16.725 3.874 7.364 1.00 0.00 N ATOM 434 CA THR A 28 17.741 3.243 8.182 1.00 0.00 C ATOM 435 C THR A 28 17.533 1.733 8.285 1.00 0.00 C ATOM 436 O THR A 28 18.442 0.959 7.978 1.00 0.00 O ATOM 437 CB THR A 28 17.782 3.863 9.592 1.00 0.00 C ATOM 438 OG1 THR A 28 16.446 4.070 10.081 1.00 0.00 O ATOM 439 CG2 THR A 28 18.548 5.181 9.591 1.00 0.00 C ATOM 0 H THR A 28 15.996 4.354 7.892 1.00 0.00 H new ATOM 0 HA THR A 28 18.697 3.420 7.689 1.00 0.00 H new ATOM 0 HB THR A 28 18.302 3.168 10.252 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.483 4.463 10.978 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.560 5.595 10.599 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.571 5.007 9.257 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.061 5.884 8.916 1.00 0.00 H new ATOM 447 N ASP A 29 16.344 1.302 8.690 1.00 0.00 N ATOM 448 CA ASP A 29 16.103 -0.128 8.875 1.00 0.00 C ATOM 449 C ASP A 29 15.916 -0.810 7.526 1.00 0.00 C ATOM 450 O ASP A 29 16.259 -1.977 7.361 1.00 0.00 O ATOM 451 CB ASP A 29 14.909 -0.398 9.803 1.00 0.00 C ATOM 452 CG ASP A 29 13.563 -0.109 9.173 1.00 0.00 C ATOM 453 OD1 ASP A 29 13.024 -0.995 8.487 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.032 0.999 9.387 1.00 0.00 O ATOM 0 H ASP A 29 15.547 1.905 8.893 1.00 0.00 H new ATOM 0 HA ASP A 29 16.981 -0.552 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.935 -1.441 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.016 0.209 10.702 1.00 0.00 H new ATOM 459 N PHE A 30 15.408 -0.064 6.555 1.00 0.00 N ATOM 460 CA PHE A 30 15.298 -0.552 5.188 1.00 0.00 C ATOM 461 C PHE A 30 16.679 -0.876 4.637 1.00 0.00 C ATOM 462 O PHE A 30 16.880 -1.909 4.005 1.00 0.00 O ATOM 463 CB PHE A 30 14.597 0.487 4.304 1.00 0.00 C ATOM 464 CG PHE A 30 14.818 0.294 2.832 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.244 -0.771 2.161 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.602 1.187 2.120 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.450 -0.943 0.808 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.811 1.021 0.768 1.00 0.00 C ATOM 469 CZ PHE A 30 15.234 -0.045 0.109 1.00 0.00 C ATOM 0 H PHE A 30 15.064 0.887 6.690 1.00 0.00 H new ATOM 0 HA PHE A 30 14.699 -1.463 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.526 0.456 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 30 14.946 1.481 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.629 -1.475 2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.055 2.024 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.999 -1.779 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.425 1.724 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.395 -0.177 -0.951 1.00 0.00 H new ATOM 479 N ASP A 31 17.633 0.003 4.903 1.00 0.00 N ATOM 480 CA ASP A 31 19.002 -0.197 4.453 1.00 0.00 C ATOM 481 C ASP A 31 19.630 -1.409 5.139 1.00 0.00 C ATOM 482 O ASP A 31 20.471 -2.099 4.561 1.00 0.00 O ATOM 483 CB ASP A 31 19.818 1.072 4.719 1.00 0.00 C ATOM 484 CG ASP A 31 21.301 0.897 4.479 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.708 0.739 3.310 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.068 0.953 5.464 1.00 0.00 O ATOM 0 H ASP A 31 17.484 0.864 5.430 1.00 0.00 H new ATOM 0 HA ASP A 31 18.999 -0.395 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.447 1.874 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.660 1.387 5.750 1.00 0.00 H new ATOM 491 N LYS A 32 19.195 -1.675 6.362 1.00 0.00 N ATOM 492 CA LYS A 32 19.666 -2.833 7.113 1.00 0.00 C ATOM 493 C LYS A 32 19.048 -4.114 6.575 1.00 0.00 C ATOM 494 O LYS A 32 19.742 -5.110 6.374 1.00 0.00 O ATOM 495 CB LYS A 32 19.335 -2.679 8.599 1.00 0.00 C ATOM 496 CG LYS A 32 20.507 -2.226 9.456 1.00 0.00 C ATOM 497 CD LYS A 32 21.188 -1.007 8.868 1.00 0.00 C ATOM 498 CE LYS A 32 22.279 -0.479 9.781 1.00 0.00 C ATOM 499 NZ LYS A 32 23.012 0.653 9.159 1.00 0.00 N ATOM 0 H LYS A 32 18.513 -1.102 6.859 1.00 0.00 H new ATOM 0 HA LYS A 32 20.748 -2.893 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.522 -1.961 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.969 -3.633 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.156 -1.998 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.228 -3.038 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.616 -1.262 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.449 -0.225 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.839 -0.154 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.979 -1.282 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.750 0.989 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.452 0.336 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.348 1.428 8.959 1.00 0.00 H new ATOM 513 N VAL A 33 17.745 -4.087 6.331 1.00 0.00 N ATOM 514 CA VAL A 33 17.051 -5.277 5.860 1.00 0.00 C ATOM 515 C VAL A 33 17.373 -5.546 4.394 1.00 0.00 C ATOM 516 O VAL A 33 17.316 -6.685 3.947 1.00 0.00 O ATOM 517 CB VAL A 33 15.517 -5.201 6.058 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.174 -5.033 7.531 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.901 -4.082 5.228 1.00 0.00 C ATOM 0 H VAL A 33 17.153 -3.265 6.450 1.00 0.00 H new ATOM 0 HA VAL A 33 17.414 -6.104 6.471 1.00 0.00 H new ATOM 0 HB VAL A 33 15.091 -6.142 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.092 -4.982 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.560 -5.883 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.624 -4.114 7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.824 -4.058 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.334 -3.127 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.104 -4.259 4.172 1.00 0.00 H new ATOM 529 N ALA A 34 17.758 -4.504 3.656 1.00 0.00 N ATOM 530 CA ALA A 34 18.097 -4.650 2.242 1.00 0.00 C ATOM 531 C ALA A 34 19.265 -5.615 2.054 1.00 0.00 C ATOM 532 O ALA A 34 19.495 -6.127 0.956 1.00 0.00 O ATOM 533 CB ALA A 34 18.424 -3.295 1.630 1.00 0.00 C ATOM 0 H ALA A 34 17.842 -3.553 4.014 1.00 0.00 H new ATOM 0 HA ALA A 34 17.230 -5.065 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.674 -3.422 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.560 -2.637 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.272 -2.854 2.154 1.00 0.00 H new ATOM 539 N SER A 35 19.993 -5.862 3.135 1.00 0.00 N ATOM 540 CA SER A 35 21.103 -6.795 3.119 1.00 0.00 C ATOM 541 C SER A 35 20.600 -8.237 2.975 1.00 0.00 C ATOM 542 O SER A 35 21.263 -9.076 2.366 1.00 0.00 O ATOM 543 CB SER A 35 21.931 -6.624 4.399 1.00 0.00 C ATOM 544 OG SER A 35 22.995 -7.557 4.465 1.00 0.00 O ATOM 0 H SER A 35 19.829 -5.422 4.041 1.00 0.00 H new ATOM 0 HA SER A 35 21.737 -6.583 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.332 -5.611 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.285 -6.746 5.269 1.00 0.00 H new ATOM 0 HG SER A 35 23.501 -7.418 5.292 1.00 0.00 H new ATOM 550 N GLU A 36 19.412 -8.513 3.505 1.00 0.00 N ATOM 551 CA GLU A 36 18.851 -9.857 3.460 1.00 0.00 C ATOM 552 C GLU A 36 17.607 -9.888 2.575 1.00 0.00 C ATOM 553 O GLU A 36 16.840 -10.854 2.587 1.00 0.00 O ATOM 554 CB GLU A 36 18.504 -10.331 4.871 1.00 0.00 C ATOM 555 CG GLU A 36 19.559 -9.963 5.898 1.00 0.00 C ATOM 556 CD GLU A 36 19.511 -10.833 7.132 1.00 0.00 C ATOM 557 OE1 GLU A 36 18.525 -10.755 7.891 1.00 0.00 O ATOM 558 OE2 GLU A 36 20.468 -11.605 7.351 1.00 0.00 O ATOM 0 H GLU A 36 18.821 -7.824 3.970 1.00 0.00 H new ATOM 0 HA GLU A 36 19.596 -10.529 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.549 -9.898 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.375 -11.413 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.546 -10.043 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.426 -8.921 6.189 1.00 0.00 H new ATOM 565 N TYR A 37 17.412 -8.826 1.810 1.00 0.00 N ATOM 566 CA TYR A 37 16.291 -8.740 0.888 1.00 0.00 C ATOM 567 C TYR A 37 16.793 -8.654 -0.545 1.00 0.00 C ATOM 568 O TYR A 37 17.988 -8.474 -0.783 1.00 0.00 O ATOM 569 CB TYR A 37 15.416 -7.524 1.206 1.00 0.00 C ATOM 570 CG TYR A 37 14.425 -7.745 2.332 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.850 -8.090 3.607 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.063 -7.592 2.117 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.951 -8.276 4.636 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.155 -7.780 3.139 1.00 0.00 C ATOM 575 CZ TYR A 37 12.604 -8.120 4.398 1.00 0.00 C ATOM 576 OH TYR A 37 11.704 -8.288 5.425 1.00 0.00 O ATOM 0 H TYR A 37 18.020 -8.007 1.810 1.00 0.00 H new ATOM 0 HA TYR A 37 15.688 -9.641 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.061 -6.685 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.869 -7.240 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.906 -8.215 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.708 -7.321 1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.301 -8.542 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.098 -7.661 2.954 1.00 0.00 H new ATOM 0 HH TYR A 37 10.865 -7.832 5.203 1.00 0.00 H new ATOM 586 N THR A 38 15.884 -8.790 -1.496 1.00 0.00 N ATOM 587 CA THR A 38 16.238 -8.720 -2.902 1.00 0.00 C ATOM 588 C THR A 38 15.195 -7.933 -3.687 1.00 0.00 C ATOM 589 O THR A 38 13.991 -8.101 -3.487 1.00 0.00 O ATOM 590 CB THR A 38 16.388 -10.131 -3.497 1.00 0.00 C ATOM 591 OG1 THR A 38 17.359 -10.858 -2.735 1.00 0.00 O ATOM 592 CG2 THR A 38 16.822 -10.076 -4.955 1.00 0.00 C ATOM 0 H THR A 38 14.892 -8.950 -1.318 1.00 0.00 H new ATOM 0 HA THR A 38 17.195 -8.203 -2.979 1.00 0.00 H new ATOM 0 HB THR A 38 15.420 -10.630 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.459 -11.759 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.918 -11.089 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.077 -9.533 -5.536 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.782 -9.566 -5.030 1.00 0.00 H new ATOM 600 N LYS A 39 15.674 -7.061 -4.558 1.00 0.00 N ATOM 601 CA LYS A 39 14.813 -6.245 -5.395 1.00 0.00 C ATOM 602 C LYS A 39 14.229 -7.059 -6.541 1.00 0.00 C ATOM 603 O LYS A 39 14.958 -7.644 -7.344 1.00 0.00 O ATOM 604 CB LYS A 39 15.597 -5.055 -5.947 1.00 0.00 C ATOM 605 CG LYS A 39 14.836 -4.258 -6.993 1.00 0.00 C ATOM 606 CD LYS A 39 14.678 -2.805 -6.587 1.00 0.00 C ATOM 607 CE LYS A 39 16.023 -2.115 -6.415 1.00 0.00 C ATOM 608 NZ LYS A 39 15.859 -0.670 -6.135 1.00 0.00 N ATOM 0 H LYS A 39 16.670 -6.899 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 39 13.988 -5.882 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.866 -4.394 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.529 -5.415 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.361 -4.314 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.852 -4.702 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.094 -2.279 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.118 -2.748 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.573 -2.585 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.619 -2.246 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.772 -0.187 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.162 -0.266 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.527 -0.541 -5.158 1.00 0.00 H new ATOM 622 N ILE A 40 12.910 -7.097 -6.606 1.00 0.00 N ATOM 623 CA ILE A 40 12.226 -7.750 -7.713 1.00 0.00 C ATOM 624 C ILE A 40 11.917 -6.746 -8.811 1.00 0.00 C ATOM 625 O ILE A 40 11.637 -7.117 -9.952 1.00 0.00 O ATOM 626 CB ILE A 40 10.926 -8.439 -7.258 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.082 -7.478 -6.414 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.249 -9.710 -6.488 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.774 -8.071 -5.931 1.00 0.00 C ATOM 0 H ILE A 40 12.290 -6.685 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 40 12.896 -8.518 -8.100 1.00 0.00 H new ATOM 0 HB ILE A 40 10.343 -8.714 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.666 -7.160 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.870 -6.585 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.322 -10.189 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.809 -10.391 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.847 -9.462 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.234 -7.330 -5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.168 -8.363 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.977 -8.947 -5.315 1.00 0.00 H new ATOM 641 N GLY A 41 11.976 -5.473 -8.455 1.00 0.00 N ATOM 642 CA GLY A 41 11.745 -4.421 -9.414 1.00 0.00 C ATOM 643 C GLY A 41 11.099 -3.209 -8.781 1.00 0.00 C ATOM 644 O GLY A 41 10.658 -3.262 -7.635 1.00 0.00 O ATOM 0 H GLY A 41 12.182 -5.150 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.692 -4.131 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.108 -4.795 -10.215 1.00 0.00 H new ATOM 648 N THR A 42 11.058 -2.118 -9.518 1.00 0.00 N ATOM 649 CA THR A 42 10.407 -0.909 -9.054 1.00 0.00 C ATOM 650 C THR A 42 9.076 -0.744 -9.780 1.00 0.00 C ATOM 651 O THR A 42 8.910 -1.229 -10.901 1.00 0.00 O ATOM 652 CB THR A 42 11.292 0.327 -9.312 1.00 0.00 C ATOM 653 OG1 THR A 42 12.647 0.046 -8.929 1.00 0.00 O ATOM 654 CG2 THR A 42 10.798 1.541 -8.538 1.00 0.00 C ATOM 0 H THR A 42 11.471 -2.043 -10.448 1.00 0.00 H new ATOM 0 HA THR A 42 10.239 -0.993 -7.980 1.00 0.00 H new ATOM 0 HB THR A 42 11.241 0.553 -10.377 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.800 0.361 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.446 2.393 -8.745 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.779 1.778 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.815 1.323 -7.470 1.00 0.00 H new ATOM 662 N ILE A 43 8.131 -0.082 -9.143 1.00 0.00 N ATOM 663 CA ILE A 43 6.833 0.164 -9.759 1.00 0.00 C ATOM 664 C ILE A 43 6.623 1.663 -9.921 1.00 0.00 C ATOM 665 O ILE A 43 7.311 2.462 -9.283 1.00 0.00 O ATOM 666 CB ILE A 43 5.668 -0.442 -8.933 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.660 0.135 -7.518 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.762 -1.964 -8.892 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.623 -0.486 -6.608 1.00 0.00 C ATOM 0 H ILE A 43 8.232 0.296 -8.201 1.00 0.00 H new ATOM 0 HA ILE A 43 6.831 -0.324 -10.733 1.00 0.00 H new ATOM 0 HB ILE A 43 4.731 -0.175 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.646 -0.002 -7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.482 1.209 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.934 -2.364 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.714 -2.359 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.706 -2.258 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.680 -0.024 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.629 -0.326 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.811 -1.556 -6.518 1.00 0.00 H new ATOM 681 N SER A 44 5.670 2.040 -10.755 1.00 0.00 N ATOM 682 CA SER A 44 5.414 3.444 -11.031 1.00 0.00 C ATOM 683 C SER A 44 3.981 3.643 -11.498 1.00 0.00 C ATOM 684 O SER A 44 3.283 2.686 -11.834 1.00 0.00 O ATOM 685 CB SER A 44 6.383 3.964 -12.101 1.00 0.00 C ATOM 686 OG SER A 44 6.231 5.362 -12.308 1.00 0.00 O ATOM 0 H SER A 44 5.059 1.393 -11.254 1.00 0.00 H new ATOM 0 HA SER A 44 5.567 4.005 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.408 3.749 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.209 3.436 -13.038 1.00 0.00 H new ATOM 0 HG SER A 44 6.863 5.662 -12.994 1.00 0.00 H new ATOM 692 N THR A 45 3.563 4.893 -11.522 1.00 0.00 N ATOM 693 CA THR A 45 2.236 5.259 -11.975 1.00 0.00 C ATOM 694 C THR A 45 2.308 5.952 -13.330 1.00 0.00 C ATOM 695 O THR A 45 3.374 6.427 -13.738 1.00 0.00 O ATOM 696 CB THR A 45 1.556 6.188 -10.954 1.00 0.00 C ATOM 697 OG1 THR A 45 2.515 7.120 -10.438 1.00 0.00 O ATOM 698 CG2 THR A 45 0.946 5.390 -9.815 1.00 0.00 C ATOM 0 H THR A 45 4.135 5.685 -11.227 1.00 0.00 H new ATOM 0 HA THR A 45 1.647 4.347 -12.073 1.00 0.00 H new ATOM 0 HB THR A 45 0.755 6.729 -11.458 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.080 7.712 -9.789 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.472 6.070 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.200 4.701 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.728 4.825 -9.307 1.00 0.00 H new ATOM 706 N THR A 46 1.188 5.979 -14.040 1.00 0.00 N ATOM 707 CA THR A 46 1.098 6.674 -15.313 1.00 0.00 C ATOM 708 C THR A 46 -0.328 7.170 -15.534 1.00 0.00 C ATOM 709 O THR A 46 -1.273 6.379 -15.543 1.00 0.00 O ATOM 710 CB THR A 46 1.512 5.767 -16.490 1.00 0.00 C ATOM 711 OG1 THR A 46 2.807 5.207 -16.245 1.00 0.00 O ATOM 712 CG2 THR A 46 1.543 6.545 -17.797 1.00 0.00 C ATOM 0 H THR A 46 0.323 5.523 -13.751 1.00 0.00 H new ATOM 0 HA THR A 46 1.786 7.518 -15.277 1.00 0.00 H new ATOM 0 HB THR A 46 0.773 4.970 -16.574 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.062 4.631 -16.996 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.838 5.880 -18.609 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.553 6.951 -18.002 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.261 7.361 -17.717 1.00 0.00 H new ATOM 720 N GLY A 47 -0.477 8.474 -15.694 1.00 0.00 N ATOM 721 CA GLY A 47 -1.791 9.048 -15.865 1.00 0.00 C ATOM 722 C GLY A 47 -2.206 9.856 -14.661 1.00 0.00 C ATOM 723 O GLY A 47 -1.972 9.444 -13.525 1.00 0.00 O ATOM 0 H GLY A 47 0.291 9.146 -15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.798 9.684 -16.750 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.516 8.253 -16.038 1.00 0.00 H new ATOM 727 N GLU A 48 -2.793 11.012 -14.917 1.00 0.00 N ATOM 728 CA GLU A 48 -3.263 11.896 -13.862 1.00 0.00 C ATOM 729 C GLU A 48 -4.260 11.174 -12.964 1.00 0.00 C ATOM 730 O GLU A 48 -5.344 10.784 -13.406 1.00 0.00 O ATOM 731 CB GLU A 48 -3.910 13.152 -14.458 1.00 0.00 C ATOM 732 CG GLU A 48 -3.045 13.874 -15.485 1.00 0.00 C ATOM 733 CD GLU A 48 -3.252 13.361 -16.900 1.00 0.00 C ATOM 734 OE1 GLU A 48 -2.757 12.262 -17.228 1.00 0.00 O ATOM 735 OE2 GLU A 48 -3.920 14.052 -17.693 1.00 0.00 O ATOM 0 H GLU A 48 -2.958 11.365 -15.860 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.403 12.196 -13.263 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.854 12.873 -14.926 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.147 13.843 -13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.268 14.940 -15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.996 13.760 -15.213 1.00 0.00 H new ATOM 742 N MET A 49 -3.876 10.994 -11.712 1.00 0.00 N ATOM 743 CA MET A 49 -4.689 10.277 -10.741 1.00 0.00 C ATOM 744 C MET A 49 -4.595 10.965 -9.388 1.00 0.00 C ATOM 745 O MET A 49 -3.764 11.851 -9.193 1.00 0.00 O ATOM 746 CB MET A 49 -4.228 8.816 -10.615 1.00 0.00 C ATOM 747 CG MET A 49 -4.456 7.981 -11.865 1.00 0.00 C ATOM 748 SD MET A 49 -6.204 7.749 -12.235 1.00 0.00 S ATOM 749 CE MET A 49 -6.098 6.860 -13.783 1.00 0.00 C ATOM 0 H MET A 49 -2.992 11.340 -11.339 1.00 0.00 H new ATOM 0 HA MET A 49 -5.724 10.283 -11.083 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.166 8.802 -10.371 1.00 0.00 H new ATOM 0 HB3 MET A 49 -4.753 8.352 -9.780 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.970 8.463 -12.713 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.983 7.007 -11.738 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.102 6.640 -14.146 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.572 7.470 -14.518 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.555 5.927 -13.630 1.00 0.00 H new ATOM 759 N SER A 50 -5.447 10.565 -8.458 1.00 0.00 N ATOM 760 CA SER A 50 -5.386 11.096 -7.111 1.00 0.00 C ATOM 761 C SER A 50 -4.117 10.590 -6.426 1.00 0.00 C ATOM 762 O SER A 50 -3.741 9.428 -6.592 1.00 0.00 O ATOM 763 CB SER A 50 -6.633 10.669 -6.337 1.00 0.00 C ATOM 764 OG SER A 50 -7.815 11.049 -7.029 1.00 0.00 O ATOM 0 H SER A 50 -6.185 9.878 -8.612 1.00 0.00 H new ATOM 0 HA SER A 50 -5.355 12.185 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.623 9.589 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.625 11.124 -5.347 1.00 0.00 H new ATOM 0 HG SER A 50 -8.600 10.764 -6.516 1.00 0.00 H new ATOM 770 N PRO A 51 -3.460 11.443 -5.627 1.00 0.00 N ATOM 771 CA PRO A 51 -2.142 11.142 -5.057 1.00 0.00 C ATOM 772 C PRO A 51 -2.127 9.903 -4.167 1.00 0.00 C ATOM 773 O PRO A 51 -1.366 8.964 -4.414 1.00 0.00 O ATOM 774 CB PRO A 51 -1.798 12.397 -4.245 1.00 0.00 C ATOM 775 CG PRO A 51 -3.094 13.102 -4.037 1.00 0.00 C ATOM 776 CD PRO A 51 -3.940 12.777 -5.231 1.00 0.00 C ATOM 0 HA PRO A 51 -1.422 10.913 -5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.336 12.135 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.089 13.029 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.575 12.770 -3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.943 14.178 -3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.001 12.766 -4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.807 13.507 -6.030 1.00 0.00 H new ATOM 784 N LEU A 52 -2.977 9.885 -3.152 1.00 0.00 N ATOM 785 CA LEU A 52 -2.981 8.793 -2.191 1.00 0.00 C ATOM 786 C LEU A 52 -3.563 7.539 -2.823 1.00 0.00 C ATOM 787 O LEU A 52 -3.139 6.427 -2.516 1.00 0.00 O ATOM 788 CB LEU A 52 -3.781 9.187 -0.945 1.00 0.00 C ATOM 789 CG LEU A 52 -3.792 8.153 0.183 1.00 0.00 C ATOM 790 CD1 LEU A 52 -2.388 7.944 0.732 1.00 0.00 C ATOM 791 CD2 LEU A 52 -4.743 8.588 1.291 1.00 0.00 C ATOM 0 H LEU A 52 -3.670 10.611 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.954 8.585 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.376 10.121 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.811 9.385 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.144 7.204 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.417 7.205 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.735 7.589 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.006 8.887 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.740 7.843 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.419 9.548 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.751 8.685 0.888 1.00 0.00 H new ATOM 803 N ASP A 53 -4.507 7.730 -3.731 1.00 0.00 N ATOM 804 CA ASP A 53 -5.173 6.609 -4.389 1.00 0.00 C ATOM 805 C ASP A 53 -4.231 5.910 -5.362 1.00 0.00 C ATOM 806 O ASP A 53 -4.247 4.686 -5.483 1.00 0.00 O ATOM 807 CB ASP A 53 -6.433 7.078 -5.117 1.00 0.00 C ATOM 808 CG ASP A 53 -7.518 7.539 -4.163 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.255 6.682 -3.634 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.635 8.762 -3.933 1.00 0.00 O ATOM 0 H ASP A 53 -4.832 8.649 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.463 5.895 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.176 7.895 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.817 6.265 -5.733 1.00 0.00 H new ATOM 815 N ALA A 54 -3.401 6.688 -6.051 1.00 0.00 N ATOM 816 CA ALA A 54 -2.421 6.115 -6.962 1.00 0.00 C ATOM 817 C ALA A 54 -1.319 5.410 -6.177 1.00 0.00 C ATOM 818 O ALA A 54 -0.775 4.402 -6.622 1.00 0.00 O ATOM 819 CB ALA A 54 -1.833 7.183 -7.868 1.00 0.00 C ATOM 0 H ALA A 54 -3.388 7.706 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.925 5.381 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.104 6.730 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.629 7.642 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.343 7.945 -7.262 1.00 0.00 H new ATOM 825 N ARG A 55 -1.008 5.942 -4.997 1.00 0.00 N ATOM 826 CA ARG A 55 -0.056 5.319 -4.096 1.00 0.00 C ATOM 827 C ARG A 55 -0.633 4.005 -3.595 1.00 0.00 C ATOM 828 O ARG A 55 0.045 2.983 -3.576 1.00 0.00 O ATOM 829 CB ARG A 55 0.243 6.267 -2.930 1.00 0.00 C ATOM 830 CG ARG A 55 1.155 7.422 -3.312 1.00 0.00 C ATOM 831 CD ARG A 55 1.009 8.606 -2.367 1.00 0.00 C ATOM 832 NE ARG A 55 1.392 8.289 -0.991 1.00 0.00 N ATOM 833 CZ ARG A 55 2.077 9.122 -0.208 1.00 0.00 C ATOM 834 NH1 ARG A 55 2.485 10.291 -0.686 1.00 0.00 N ATOM 835 NH2 ARG A 55 2.347 8.794 1.048 1.00 0.00 N ATOM 0 H ARG A 55 -1.409 6.811 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 55 0.879 5.115 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.696 6.666 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.704 5.702 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.191 7.082 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.928 7.741 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.623 9.431 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.025 8.949 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 55 1.120 7.382 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.274 10.550 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.009 10.931 -0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.030 7.899 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.872 9.437 1.641 1.00 0.00 H new ATOM 849 N GLU A 56 -1.911 4.050 -3.238 1.00 0.00 N ATOM 850 CA GLU A 56 -2.645 2.883 -2.782 1.00 0.00 C ATOM 851 C GLU A 56 -2.598 1.763 -3.820 1.00 0.00 C ATOM 852 O GLU A 56 -2.390 0.603 -3.479 1.00 0.00 O ATOM 853 CB GLU A 56 -4.096 3.278 -2.509 1.00 0.00 C ATOM 854 CG GLU A 56 -4.608 2.872 -1.142 1.00 0.00 C ATOM 855 CD GLU A 56 -4.740 1.372 -0.984 1.00 0.00 C ATOM 856 OE1 GLU A 56 -5.550 0.762 -1.714 1.00 0.00 O ATOM 857 OE2 GLU A 56 -4.052 0.802 -0.114 1.00 0.00 O ATOM 0 H GLU A 56 -2.468 4.904 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.181 2.514 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.191 4.359 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.732 2.827 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.931 3.255 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.579 3.337 -0.970 1.00 0.00 H new ATOM 864 N ASP A 57 -2.771 2.119 -5.090 1.00 0.00 N ATOM 865 CA ASP A 57 -2.795 1.122 -6.157 1.00 0.00 C ATOM 866 C ASP A 57 -1.414 0.517 -6.354 1.00 0.00 C ATOM 867 O ASP A 57 -1.277 -0.667 -6.671 1.00 0.00 O ATOM 868 CB ASP A 57 -3.296 1.741 -7.460 1.00 0.00 C ATOM 869 CG ASP A 57 -3.594 0.695 -8.516 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.620 -0.011 -8.387 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.819 0.590 -9.489 1.00 0.00 O ATOM 0 H ASP A 57 -2.896 3.081 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.482 0.327 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.197 2.321 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.548 2.436 -7.841 1.00 0.00 H new ATOM 876 N LEU A 58 -0.392 1.331 -6.138 1.00 0.00 N ATOM 877 CA LEU A 58 0.981 0.858 -6.170 1.00 0.00 C ATOM 878 C LEU A 58 1.223 -0.114 -5.019 1.00 0.00 C ATOM 879 O LEU A 58 1.846 -1.164 -5.191 1.00 0.00 O ATOM 880 CB LEU A 58 1.949 2.039 -6.072 1.00 0.00 C ATOM 881 CG LEU A 58 2.035 2.927 -7.315 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.056 4.036 -7.107 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.386 2.094 -8.538 1.00 0.00 C ATOM 0 H LEU A 58 -0.490 2.326 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 58 1.154 0.341 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.654 2.658 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.945 1.653 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 58 1.061 3.387 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.105 4.658 -8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.760 4.648 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.036 3.598 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.443 2.740 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.349 1.607 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.618 1.337 -8.695 1.00 0.00 H new ATOM 895 N ILE A 59 0.705 0.244 -3.850 1.00 0.00 N ATOM 896 CA ILE A 59 0.813 -0.591 -2.661 1.00 0.00 C ATOM 897 C ILE A 59 0.086 -1.909 -2.892 1.00 0.00 C ATOM 898 O ILE A 59 0.580 -2.979 -2.536 1.00 0.00 O ATOM 899 CB ILE A 59 0.216 0.131 -1.427 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.992 1.425 -1.151 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.235 -0.774 -0.199 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.183 2.495 -0.441 1.00 0.00 C ATOM 0 H ILE A 59 0.200 1.118 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 59 1.868 -0.787 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.823 0.379 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.869 1.188 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.355 1.827 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.190 -0.242 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.354 -1.669 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.263 -1.059 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.804 3.377 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.680 2.763 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.157 2.115 0.522 1.00 0.00 H new ATOM 914 N LYS A 60 -1.084 -1.811 -3.512 1.00 0.00 N ATOM 915 CA LYS A 60 -1.844 -2.981 -3.922 1.00 0.00 C ATOM 916 C LYS A 60 -1.003 -3.887 -4.808 1.00 0.00 C ATOM 917 O LYS A 60 -0.874 -5.075 -4.538 1.00 0.00 O ATOM 918 CB LYS A 60 -3.095 -2.560 -4.689 1.00 0.00 C ATOM 919 CG LYS A 60 -4.193 -1.954 -3.829 1.00 0.00 C ATOM 920 CD LYS A 60 -5.238 -1.260 -4.692 1.00 0.00 C ATOM 921 CE LYS A 60 -5.659 -2.125 -5.871 1.00 0.00 C ATOM 922 NZ LYS A 60 -6.382 -1.345 -6.911 1.00 0.00 N ATOM 0 H LYS A 60 -1.529 -0.923 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.131 -3.524 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.810 -1.837 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.497 -3.430 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.667 -2.735 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.760 -1.239 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.112 -1.022 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.838 -0.315 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.777 -2.587 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.298 -2.934 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.589 -1.959 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.273 -0.981 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.790 -0.548 -7.221 1.00 0.00 H new ATOM 936 N LYS A 61 -0.430 -3.317 -5.864 1.00 0.00 N ATOM 937 CA LYS A 61 0.333 -4.087 -6.832 1.00 0.00 C ATOM 938 C LYS A 61 1.556 -4.742 -6.191 1.00 0.00 C ATOM 939 O LYS A 61 1.908 -5.870 -6.528 1.00 0.00 O ATOM 940 CB LYS A 61 0.755 -3.188 -7.990 1.00 0.00 C ATOM 941 CG LYS A 61 0.584 -3.852 -9.336 1.00 0.00 C ATOM 942 CD LYS A 61 0.833 -2.888 -10.479 1.00 0.00 C ATOM 943 CE LYS A 61 2.253 -2.353 -10.471 1.00 0.00 C ATOM 944 NZ LYS A 61 2.581 -1.663 -11.742 1.00 0.00 N ATOM 0 H LYS A 61 -0.482 -2.319 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.305 -4.886 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.167 -2.270 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.799 -2.902 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.272 -4.694 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.425 -4.256 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.640 -3.391 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.132 -2.056 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.378 -1.661 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.951 -3.174 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.558 -1.310 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.485 -2.330 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.930 -0.864 -11.882 1.00 0.00 H new ATOM 958 N ALA A 62 2.203 -4.028 -5.276 1.00 0.00 N ATOM 959 CA ALA A 62 3.307 -4.590 -4.504 1.00 0.00 C ATOM 960 C ALA A 62 2.853 -5.833 -3.738 1.00 0.00 C ATOM 961 O ALA A 62 3.535 -6.861 -3.739 1.00 0.00 O ATOM 962 CB ALA A 62 3.859 -3.547 -3.547 1.00 0.00 C ATOM 0 H ALA A 62 1.982 -3.058 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 62 4.097 -4.886 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.682 -3.977 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.219 -2.688 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.072 -3.227 -2.864 1.00 0.00 H new ATOM 968 N ASP A 63 1.689 -5.729 -3.102 1.00 0.00 N ATOM 969 CA ASP A 63 1.092 -6.848 -2.365 1.00 0.00 C ATOM 970 C ASP A 63 0.704 -7.971 -3.323 1.00 0.00 C ATOM 971 O ASP A 63 0.925 -9.153 -3.048 1.00 0.00 O ATOM 972 CB ASP A 63 -0.147 -6.363 -1.602 1.00 0.00 C ATOM 973 CG ASP A 63 -0.814 -7.449 -0.779 1.00 0.00 C ATOM 974 OD1 ASP A 63 -1.559 -8.272 -1.351 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.621 -7.466 0.453 1.00 0.00 O ATOM 0 H ASP A 63 1.133 -4.874 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 63 1.826 -7.232 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.139 -5.543 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.869 -5.963 -2.314 1.00 0.00 H new ATOM 980 N GLU A 64 0.136 -7.581 -4.457 1.00 0.00 N ATOM 981 CA GLU A 64 -0.269 -8.511 -5.501 1.00 0.00 C ATOM 982 C GLU A 64 0.931 -9.281 -6.040 1.00 0.00 C ATOM 983 O GLU A 64 0.826 -10.460 -6.380 1.00 0.00 O ATOM 984 CB GLU A 64 -0.954 -7.738 -6.625 1.00 0.00 C ATOM 985 CG GLU A 64 -2.319 -7.208 -6.243 1.00 0.00 C ATOM 986 CD GLU A 64 -3.408 -8.256 -6.338 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.471 -9.151 -5.471 1.00 0.00 O ATOM 988 OE2 GLU A 64 -4.213 -8.183 -7.289 1.00 0.00 O ATOM 0 H GLU A 64 -0.057 -6.604 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.966 -9.235 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.318 -6.904 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.055 -8.388 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.281 -6.823 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.572 -6.369 -6.892 1.00 0.00 H new ATOM 995 N LYS A 65 2.069 -8.606 -6.114 1.00 0.00 N ATOM 996 CA LYS A 65 3.306 -9.245 -6.535 1.00 0.00 C ATOM 997 C LYS A 65 3.858 -10.102 -5.400 1.00 0.00 C ATOM 998 O LYS A 65 4.443 -11.164 -5.634 1.00 0.00 O ATOM 999 CB LYS A 65 4.336 -8.193 -6.965 1.00 0.00 C ATOM 1000 CG LYS A 65 5.598 -8.784 -7.574 1.00 0.00 C ATOM 1001 CD LYS A 65 5.271 -9.697 -8.743 1.00 0.00 C ATOM 1002 CE LYS A 65 6.520 -10.316 -9.345 1.00 0.00 C ATOM 1003 NZ LYS A 65 6.182 -11.366 -10.339 1.00 0.00 N ATOM 0 H LYS A 65 2.161 -7.616 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 65 3.098 -9.886 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.875 -7.521 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.609 -7.590 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.253 -7.980 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.143 -9.344 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.599 -10.488 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.741 -9.131 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.118 -9.540 -9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.132 -10.747 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.058 -11.768 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.632 -12.118 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.619 -10.948 -11.107 1.00 0.00 H new ATOM 1017 N GLY A 66 3.655 -9.640 -4.170 1.00 0.00 N ATOM 1018 CA GLY A 66 4.069 -10.402 -3.007 1.00 0.00 C ATOM 1019 C GLY A 66 5.292 -9.830 -2.319 1.00 0.00 C ATOM 1020 O GLY A 66 5.958 -10.534 -1.557 1.00 0.00 O ATOM 0 H GLY A 66 3.209 -8.747 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.245 -10.441 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.278 -11.428 -3.309 1.00 0.00 H new ATOM 1024 N ALA A 67 5.590 -8.562 -2.584 1.00 0.00 N ATOM 1025 CA ALA A 67 6.739 -7.894 -1.973 1.00 0.00 C ATOM 1026 C ALA A 67 6.542 -7.765 -0.469 1.00 0.00 C ATOM 1027 O ALA A 67 5.425 -7.573 0.003 1.00 0.00 O ATOM 1028 CB ALA A 67 6.945 -6.524 -2.596 1.00 0.00 C ATOM 0 H ALA A 67 5.051 -7.973 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 67 7.628 -8.498 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.803 -6.038 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.125 -6.634 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.055 -5.915 -2.439 1.00 0.00 H new ATOM 1034 N ASP A 68 7.629 -7.869 0.268 1.00 0.00 N ATOM 1035 CA ASP A 68 7.567 -7.831 1.724 1.00 0.00 C ATOM 1036 C ASP A 68 7.862 -6.430 2.229 1.00 0.00 C ATOM 1037 O ASP A 68 7.241 -5.945 3.167 1.00 0.00 O ATOM 1038 CB ASP A 68 8.564 -8.819 2.323 1.00 0.00 C ATOM 1039 CG ASP A 68 8.450 -8.914 3.829 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.556 -9.630 4.321 1.00 0.00 O ATOM 1041 OD2 ASP A 68 9.278 -8.302 4.528 1.00 0.00 O ATOM 0 H ASP A 68 8.569 -7.981 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 68 6.561 -8.113 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.401 -9.804 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.576 -8.515 2.057 1.00 0.00 H new ATOM 1046 N VAL A 69 8.814 -5.777 1.598 1.00 0.00 N ATOM 1047 CA VAL A 69 9.144 -4.403 1.960 1.00 0.00 C ATOM 1048 C VAL A 69 8.812 -3.470 0.816 1.00 0.00 C ATOM 1049 O VAL A 69 9.111 -3.767 -0.340 1.00 0.00 O ATOM 1050 CB VAL A 69 10.630 -4.241 2.348 1.00 0.00 C ATOM 1051 CG1 VAL A 69 11.035 -2.772 2.397 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.898 -4.900 3.693 1.00 0.00 C ATOM 0 H VAL A 69 9.372 -6.165 0.838 1.00 0.00 H new ATOM 0 HA VAL A 69 8.545 -4.147 2.834 1.00 0.00 H new ATOM 0 HB VAL A 69 11.230 -4.732 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.087 -2.694 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.882 -2.320 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.426 -2.251 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.949 -4.779 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.277 -4.432 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.660 -5.962 3.632 1.00 0.00 H new ATOM 1062 N VAL A 70 8.184 -2.352 1.135 1.00 0.00 N ATOM 1063 CA VAL A 70 7.841 -1.373 0.129 1.00 0.00 C ATOM 1064 C VAL A 70 8.365 -0.004 0.541 1.00 0.00 C ATOM 1065 O VAL A 70 8.360 0.342 1.726 1.00 0.00 O ATOM 1066 CB VAL A 70 6.312 -1.315 -0.105 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.813 -2.607 -0.732 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.569 -1.055 1.193 1.00 0.00 C ATOM 0 H VAL A 70 7.903 -2.103 2.083 1.00 0.00 H new ATOM 0 HA VAL A 70 8.309 -1.671 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 70 6.116 -0.490 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.736 -2.544 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.309 -2.762 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.035 -3.443 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.497 -1.019 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.783 -1.856 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.893 -0.103 1.613 1.00 0.00 H new ATOM 1078 N VAL A 71 8.842 0.755 -0.429 1.00 0.00 N ATOM 1079 CA VAL A 71 9.356 2.094 -0.167 1.00 0.00 C ATOM 1080 C VAL A 71 8.755 3.094 -1.142 1.00 0.00 C ATOM 1081 O VAL A 71 8.787 2.887 -2.354 1.00 0.00 O ATOM 1082 CB VAL A 71 10.897 2.141 -0.279 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.421 3.547 -0.027 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.535 1.160 0.695 1.00 0.00 C ATOM 0 H VAL A 71 8.886 0.470 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 71 9.072 2.357 0.852 1.00 0.00 H new ATOM 0 HB VAL A 71 11.167 1.852 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.508 3.551 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.997 4.231 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.134 3.868 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.620 1.208 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.247 1.420 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.195 0.149 0.468 1.00 0.00 H new ATOM 1094 N LEU A 72 8.207 4.173 -0.612 1.00 0.00 N ATOM 1095 CA LEU A 72 7.637 5.216 -1.445 1.00 0.00 C ATOM 1096 C LEU A 72 8.720 6.197 -1.874 1.00 0.00 C ATOM 1097 O LEU A 72 9.134 7.065 -1.104 1.00 0.00 O ATOM 1098 CB LEU A 72 6.520 5.947 -0.699 1.00 0.00 C ATOM 1099 CG LEU A 72 5.320 5.076 -0.321 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.282 5.894 0.436 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.699 4.455 -1.566 1.00 0.00 C ATOM 0 H LEU A 72 8.145 4.350 0.391 1.00 0.00 H new ATOM 0 HA LEU A 72 7.211 4.755 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.935 6.383 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.170 6.773 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 72 5.670 4.274 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.436 5.257 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.728 6.295 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.938 6.716 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.847 3.839 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.365 5.245 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.440 3.836 -2.072 1.00 0.00 H new ATOM 1113 N THR A 73 9.200 6.024 -3.093 1.00 0.00 N ATOM 1114 CA THR A 73 10.221 6.894 -3.650 1.00 0.00 C ATOM 1115 C THR A 73 9.604 8.090 -4.363 1.00 0.00 C ATOM 1116 O THR A 73 10.301 9.032 -4.743 1.00 0.00 O ATOM 1117 CB THR A 73 11.100 6.118 -4.636 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.310 5.135 -5.319 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.267 5.446 -3.927 1.00 0.00 C ATOM 0 H THR A 73 8.895 5.281 -3.722 1.00 0.00 H new ATOM 0 HA THR A 73 10.829 7.258 -2.822 1.00 0.00 H new ATOM 0 HB THR A 73 11.508 6.825 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.138 5.434 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.871 4.904 -4.654 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.880 6.203 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.887 4.749 -3.180 1.00 0.00 H new ATOM 1127 N SER A 74 8.297 8.018 -4.545 1.00 0.00 N ATOM 1128 CA SER A 74 7.518 9.066 -5.192 1.00 0.00 C ATOM 1129 C SER A 74 7.865 10.464 -4.670 1.00 0.00 C ATOM 1130 O SER A 74 7.812 10.732 -3.468 1.00 0.00 O ATOM 1131 CB SER A 74 6.027 8.772 -4.996 1.00 0.00 C ATOM 1132 OG SER A 74 5.771 8.253 -3.697 1.00 0.00 O ATOM 0 H SER A 74 7.737 7.220 -4.244 1.00 0.00 H new ATOM 0 HA SER A 74 7.765 9.064 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.451 9.685 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.693 8.058 -5.748 1.00 0.00 H new ATOM 0 HG SER A 74 4.812 8.076 -3.599 1.00 0.00 H new ATOM 1138 N GLY A 75 8.226 11.346 -5.598 1.00 0.00 N ATOM 1139 CA GLY A 75 8.556 12.720 -5.250 1.00 0.00 C ATOM 1140 C GLY A 75 7.321 13.552 -4.958 1.00 0.00 C ATOM 1141 O GLY A 75 7.409 14.593 -4.309 1.00 0.00 O ATOM 0 H GLY A 75 8.297 11.132 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.209 12.725 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.114 13.176 -6.068 1.00 0.00 H new ATOM 1145 N GLN A 76 6.177 13.079 -5.455 1.00 0.00 N ATOM 1146 CA GLN A 76 4.877 13.679 -5.201 1.00 0.00 C ATOM 1147 C GLN A 76 4.718 15.082 -5.779 1.00 0.00 C ATOM 1148 O GLN A 76 5.273 16.054 -5.268 1.00 0.00 O ATOM 1149 CB GLN A 76 4.577 13.707 -3.713 1.00 0.00 C ATOM 1150 CG GLN A 76 4.258 12.347 -3.120 1.00 0.00 C ATOM 1151 CD GLN A 76 3.092 11.671 -3.814 1.00 0.00 C ATOM 1152 OE1 GLN A 76 3.277 10.901 -4.756 1.00 0.00 O ATOM 1153 NE2 GLN A 76 1.878 11.983 -3.383 1.00 0.00 N ATOM 0 H GLN A 76 6.133 12.255 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 76 4.159 13.042 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.434 14.128 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.735 14.376 -3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.138 11.708 -3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.030 12.461 -2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.765 12.625 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.057 11.581 -3.835 1.00 0.00 H new ATOM 1162 N THR A 77 3.950 15.168 -6.850 1.00 0.00 N ATOM 1163 CA THR A 77 3.439 16.443 -7.322 1.00 0.00 C ATOM 1164 C THR A 77 2.052 16.658 -6.729 1.00 0.00 C ATOM 1165 O THR A 77 1.889 17.396 -5.756 1.00 0.00 O ATOM 1166 CB THR A 77 3.352 16.500 -8.860 1.00 0.00 C ATOM 1167 OG1 THR A 77 2.971 15.218 -9.374 1.00 0.00 O ATOM 1168 CG2 THR A 77 4.671 16.932 -9.472 1.00 0.00 C ATOM 0 H THR A 77 3.665 14.366 -7.412 1.00 0.00 H new ATOM 0 HA THR A 77 4.127 17.226 -7.005 1.00 0.00 H new ATOM 0 HB THR A 77 2.598 17.239 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.916 15.261 -10.352 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.576 16.962 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.936 17.923 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.450 16.222 -9.196 1.00 0.00 H new ATOM 1176 N GLU A 78 1.075 15.959 -7.301 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.288 15.939 -6.786 1.00 0.00 C ATOM 1178 C GLU A 78 -1.163 15.035 -7.645 1.00 0.00 C ATOM 1179 O GLU A 78 -1.513 13.930 -7.243 1.00 0.00 O ATOM 1180 CB GLU A 78 -0.884 17.349 -6.743 1.00 0.00 C ATOM 1181 CG GLU A 78 -2.258 17.406 -6.101 1.00 0.00 C ATOM 1182 CD GLU A 78 -2.829 18.805 -6.080 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -2.113 19.753 -6.467 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -4.000 18.963 -5.678 1.00 0.00 O ATOM 0 H GLU A 78 1.208 15.390 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.256 15.549 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.208 18.004 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.950 17.738 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.937 16.748 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.195 17.027 -5.081 1.00 0.00 H new ATOM 1191 N ASN A 79 -1.486 15.510 -8.839 1.00 0.00 N ATOM 1192 CA ASN A 79 -2.383 14.812 -9.739 1.00 0.00 C ATOM 1193 C ASN A 79 -1.596 14.166 -10.874 1.00 0.00 C ATOM 1194 O ASN A 79 -1.758 12.986 -11.178 1.00 0.00 O ATOM 1195 CB ASN A 79 -3.369 15.830 -10.301 1.00 0.00 C ATOM 1196 CG ASN A 79 -4.662 15.217 -10.777 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -4.706 14.090 -11.264 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -5.733 15.966 -10.630 1.00 0.00 N ATOM 0 H ASN A 79 -1.131 16.392 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.913 14.024 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.589 16.572 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.900 16.359 -11.131 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.644 15.616 -10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.652 16.897 -10.221 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.709 14.950 -11.468 1.00 0.00 N ATOM 1206 CA LYS A 80 0.098 14.500 -12.598 1.00 0.00 C ATOM 1207 C LYS A 80 1.322 13.723 -12.114 1.00 0.00 C ATOM 1208 O LYS A 80 2.436 13.907 -12.612 1.00 0.00 O ATOM 1209 CB LYS A 80 0.522 15.715 -13.426 1.00 0.00 C ATOM 1210 CG LYS A 80 1.297 16.757 -12.626 1.00 0.00 C ATOM 1211 CD LYS A 80 1.484 18.048 -13.406 1.00 0.00 C ATOM 1212 CE LYS A 80 2.241 17.821 -14.703 1.00 0.00 C ATOM 1213 NZ LYS A 80 2.362 19.072 -15.496 1.00 0.00 N ATOM 0 H LYS A 80 -0.527 15.913 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.495 13.829 -13.219 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.137 15.379 -14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.366 16.182 -13.852 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.768 16.968 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.272 16.353 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.509 18.484 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.024 18.768 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.235 17.434 -14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.729 17.063 -15.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.884 18.877 -16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.413 19.428 -15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.873 19.787 -14.940 1.00 0.00 H new ATOM 1227 N ILE A 81 1.096 12.834 -11.162 1.00 0.00 N ATOM 1228 CA ILE A 81 2.175 12.114 -10.507 1.00 0.00 C ATOM 1229 C ILE A 81 2.717 10.966 -11.353 1.00 0.00 C ATOM 1230 O ILE A 81 1.969 10.143 -11.879 1.00 0.00 O ATOM 1231 CB ILE A 81 1.744 11.561 -9.131 1.00 0.00 C ATOM 1232 CG1 ILE A 81 0.428 10.792 -9.246 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.628 12.683 -8.111 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -0.014 10.154 -7.948 1.00 0.00 C ATOM 0 H ILE A 81 0.165 12.592 -10.823 1.00 0.00 H new ATOM 0 HA ILE A 81 2.970 12.848 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 81 2.512 10.869 -8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.351 11.471 -9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.535 10.017 -10.005 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.323 12.270 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.593 13.179 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.885 13.405 -8.448 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.954 9.625 -8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.747 9.450 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.153 10.927 -7.192 1.00 0.00 H new ATOM 1246 N HIS A 82 4.033 10.943 -11.493 1.00 0.00 N ATOM 1247 CA HIS A 82 4.731 9.795 -12.045 1.00 0.00 C ATOM 1248 C HIS A 82 5.581 9.193 -10.933 1.00 0.00 C ATOM 1249 O HIS A 82 6.709 8.747 -11.141 1.00 0.00 O ATOM 1250 CB HIS A 82 5.595 10.211 -13.249 1.00 0.00 C ATOM 1251 CG HIS A 82 6.173 9.055 -14.020 1.00 0.00 C ATOM 1252 ND1 HIS A 82 5.462 8.352 -14.971 1.00 0.00 N ATOM 1253 CD2 HIS A 82 7.396 8.477 -13.970 1.00 0.00 C ATOM 1254 CE1 HIS A 82 6.221 7.395 -15.469 1.00 0.00 C ATOM 1255 NE2 HIS A 82 7.397 7.451 -14.881 1.00 0.00 N ATOM 0 H HIS A 82 4.644 11.716 -11.228 1.00 0.00 H new ATOM 0 HA HIS A 82 4.020 9.054 -12.410 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.991 10.818 -13.924 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.410 10.842 -12.896 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.217 8.769 -13.332 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.927 6.686 -16.229 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.184 6.831 -15.072 1.00 0.00 H new ATOM 1264 N GLY A 83 5.015 9.201 -9.735 1.00 0.00 N ATOM 1265 CA GLY A 83 5.727 8.729 -8.570 1.00 0.00 C ATOM 1266 C GLY A 83 5.938 7.236 -8.591 1.00 0.00 C ATOM 1267 O GLY A 83 5.062 6.479 -9.018 1.00 0.00 O ATOM 0 H GLY A 83 4.067 9.529 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.694 9.229 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.172 9.002 -7.673 1.00 0.00 H new ATOM 1271 N THR A 84 7.099 6.817 -8.129 1.00 0.00 N ATOM 1272 CA THR A 84 7.455 5.414 -8.125 1.00 0.00 C ATOM 1273 C THR A 84 7.403 4.840 -6.717 1.00 0.00 C ATOM 1274 O THR A 84 7.263 5.573 -5.731 1.00 0.00 O ATOM 1275 CB THR A 84 8.873 5.199 -8.697 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.819 6.001 -7.974 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.931 5.557 -10.173 1.00 0.00 C ATOM 0 H THR A 84 7.816 7.434 -7.749 1.00 0.00 H new ATOM 0 HA THR A 84 6.729 4.899 -8.754 1.00 0.00 H new ATOM 0 HB THR A 84 9.123 4.144 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.717 5.859 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.942 5.395 -10.547 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.234 4.929 -10.727 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.659 6.604 -10.304 1.00 0.00 H new ATOM 1285 N ALA A 85 7.499 3.530 -6.636 1.00 0.00 N ATOM 1286 CA ALA A 85 7.655 2.843 -5.369 1.00 0.00 C ATOM 1287 C ALA A 85 8.618 1.686 -5.557 1.00 0.00 C ATOM 1288 O ALA A 85 8.496 0.923 -6.515 1.00 0.00 O ATOM 1289 CB ALA A 85 6.313 2.354 -4.846 1.00 0.00 C ATOM 0 H ALA A 85 7.471 2.910 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 85 8.057 3.534 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.458 1.842 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.647 3.205 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.872 1.664 -5.565 1.00 0.00 H new ATOM 1295 N ASP A 86 9.569 1.548 -4.654 1.00 0.00 N ATOM 1296 CA ASP A 86 10.613 0.549 -4.803 1.00 0.00 C ATOM 1297 C ASP A 86 10.431 -0.545 -3.772 1.00 0.00 C ATOM 1298 O ASP A 86 10.411 -0.286 -2.570 1.00 0.00 O ATOM 1299 CB ASP A 86 11.981 1.205 -4.673 1.00 0.00 C ATOM 1300 CG ASP A 86 13.108 0.325 -5.160 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.115 -0.031 -6.358 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.021 0.023 -4.365 1.00 0.00 O ATOM 0 H ASP A 86 9.642 2.114 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 86 10.545 0.098 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.986 2.137 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.155 1.464 -3.629 1.00 0.00 H new ATOM 1307 N ILE A 87 10.262 -1.764 -4.247 1.00 0.00 N ATOM 1308 CA ILE A 87 9.878 -2.862 -3.375 1.00 0.00 C ATOM 1309 C ILE A 87 10.954 -3.947 -3.297 1.00 0.00 C ATOM 1310 O ILE A 87 11.746 -4.132 -4.224 1.00 0.00 O ATOM 1311 CB ILE A 87 8.544 -3.484 -3.837 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.663 -4.039 -5.261 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.424 -2.452 -3.761 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.371 -4.624 -5.795 1.00 0.00 C ATOM 0 H ILE A 87 10.383 -2.020 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 87 9.757 -2.442 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 87 8.304 -4.311 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.993 -3.241 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.435 -4.808 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.489 -2.905 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.318 -2.106 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.664 -1.606 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.531 -4.997 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.050 -5.444 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.601 -3.852 -5.810 1.00 0.00 H new ATOM 1326 N TYR A 88 10.964 -4.671 -2.184 1.00 0.00 N ATOM 1327 CA TYR A 88 11.942 -5.728 -1.950 1.00 0.00 C ATOM 1328 C TYR A 88 11.264 -6.981 -1.412 1.00 0.00 C ATOM 1329 O TYR A 88 10.231 -6.909 -0.744 1.00 0.00 O ATOM 1330 CB TYR A 88 13.016 -5.264 -0.960 1.00 0.00 C ATOM 1331 CG TYR A 88 14.055 -4.341 -1.556 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.749 -3.022 -1.864 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.344 -4.791 -1.814 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.696 -2.181 -2.409 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.298 -3.952 -2.359 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.967 -2.648 -2.657 1.00 0.00 C ATOM 1337 OH TYR A 88 16.908 -1.804 -3.200 1.00 0.00 O ATOM 0 H TYR A 88 10.298 -4.543 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 88 12.414 -5.961 -2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.530 -4.756 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.518 -6.140 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.753 -2.649 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.605 -5.814 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.441 -1.157 -2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.297 -4.316 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 88 17.754 -2.286 -3.312 1.00 0.00 H new ATOM 1347 N LYS A 89 11.853 -8.127 -1.714 1.00 0.00 N ATOM 1348 CA LYS A 89 11.350 -9.406 -1.240 1.00 0.00 C ATOM 1349 C LYS A 89 12.339 -10.034 -0.268 1.00 0.00 C ATOM 1350 O LYS A 89 13.524 -9.709 -0.292 1.00 0.00 O ATOM 1351 CB LYS A 89 11.139 -10.349 -2.423 1.00 0.00 C ATOM 1352 CG LYS A 89 9.953 -10.012 -3.297 1.00 0.00 C ATOM 1353 CD LYS A 89 8.673 -10.633 -2.768 1.00 0.00 C ATOM 1354 CE LYS A 89 8.766 -12.152 -2.700 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.489 -12.775 -2.258 1.00 0.00 N ATOM 0 H LYS A 89 12.690 -8.197 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 89 10.402 -9.240 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.039 -10.345 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.017 -11.364 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.837 -8.930 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.137 -10.365 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.461 -10.237 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.839 -10.348 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.038 -12.542 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.563 -12.435 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.685 -13.482 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.859 -12.041 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.030 -13.237 -3.068 1.00 0.00 H new ATOM 1369 N LYS A 90 11.852 -10.937 0.572 1.00 0.00 N ATOM 1370 CA LYS A 90 12.704 -11.641 1.523 1.00 0.00 C ATOM 1371 C LYS A 90 13.542 -12.702 0.825 1.00 0.00 C ATOM 1372 O LYS A 90 13.103 -13.321 -0.144 1.00 0.00 O ATOM 1373 CB LYS A 90 11.857 -12.300 2.616 1.00 0.00 C ATOM 1374 CG LYS A 90 11.598 -11.407 3.813 1.00 0.00 C ATOM 1375 CD LYS A 90 10.358 -11.842 4.582 1.00 0.00 C ATOM 1376 CE LYS A 90 10.176 -11.029 5.859 1.00 0.00 C ATOM 1377 NZ LYS A 90 8.751 -10.961 6.284 1.00 0.00 N ATOM 0 H LYS A 90 10.868 -11.201 0.615 1.00 0.00 H new ATOM 0 HA LYS A 90 13.371 -10.907 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.902 -12.604 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.358 -13.207 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.463 -11.427 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.476 -10.377 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.478 -11.728 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.436 -12.900 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.771 -11.472 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.555 -10.019 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.647 -10.254 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.159 -10.690 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.449 -11.891 6.637 1.00 0.00 H new ATOM 1391 N LYS A 91 14.750 -12.897 1.326 1.00 0.00 N ATOM 1392 CA LYS A 91 15.628 -13.948 0.824 1.00 0.00 C ATOM 1393 C LYS A 91 15.434 -15.231 1.603 1.00 0.00 C ATOM 1394 O LYS A 91 14.599 -15.314 2.506 1.00 0.00 O ATOM 1395 CB LYS A 91 17.096 -13.558 0.946 1.00 0.00 C ATOM 1396 CG LYS A 91 17.613 -12.655 -0.148 1.00 0.00 C ATOM 1397 CD LYS A 91 19.086 -12.391 0.073 1.00 0.00 C ATOM 1398 CE LYS A 91 19.962 -13.579 -0.312 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.817 -13.971 -1.739 1.00 0.00 N ATOM 0 H LYS A 91 15.149 -12.341 2.082 1.00 0.00 H new ATOM 0 HA LYS A 91 15.368 -14.092 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.246 -13.063 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.697 -14.467 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.458 -13.119 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.060 -11.716 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.386 -11.520 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.254 -12.146 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.005 -13.334 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.708 -14.430 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.636 -14.543 -2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.947 -14.527 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.767 -13.117 -2.330 1.00 0.00 H new ATOM 1413 N LEU A 92 16.264 -16.208 1.285 1.00 0.00 N ATOM 1414 CA LEU A 92 16.226 -17.490 1.975 1.00 0.00 C ATOM 1415 C LEU A 92 17.264 -17.491 3.083 1.00 0.00 C ATOM 1416 O LEU A 92 17.148 -18.204 4.078 1.00 0.00 O ATOM 1417 CB LEU A 92 16.430 -18.663 0.995 1.00 0.00 C ATOM 1418 CG LEU A 92 17.672 -18.608 0.090 1.00 0.00 C ATOM 1419 CD1 LEU A 92 18.932 -19.009 0.842 1.00 0.00 C ATOM 1420 CD2 LEU A 92 17.475 -19.505 -1.123 1.00 0.00 C ATOM 0 H LEU A 92 16.973 -16.141 0.555 1.00 0.00 H new ATOM 0 HA LEU A 92 15.240 -17.629 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.474 -19.585 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.549 -18.729 0.357 1.00 0.00 H new ATOM 0 HG LEU A 92 17.798 -17.577 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 92 19.789 -18.958 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.087 -18.330 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.824 -20.027 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 92 18.360 -19.459 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.317 -20.532 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.606 -19.168 -1.688 1.00 0.00 H new ATOM 1432 N GLU A 93 18.263 -16.647 2.901 1.00 0.00 N ATOM 1433 CA GLU A 93 19.304 -16.463 3.888 1.00 0.00 C ATOM 1434 C GLU A 93 19.061 -15.165 4.638 1.00 0.00 C ATOM 1435 O GLU A 93 19.536 -14.098 4.243 1.00 0.00 O ATOM 1436 CB GLU A 93 20.680 -16.450 3.224 1.00 0.00 C ATOM 1437 CG GLU A 93 21.826 -16.375 4.217 1.00 0.00 C ATOM 1438 CD GLU A 93 23.179 -16.325 3.545 1.00 0.00 C ATOM 1439 OE1 GLU A 93 23.605 -17.351 2.978 1.00 0.00 O ATOM 1440 OE2 GLU A 93 23.830 -15.263 3.591 1.00 0.00 O ATOM 0 H GLU A 93 18.373 -16.072 2.066 1.00 0.00 H new ATOM 0 HA GLU A 93 19.280 -17.295 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 93 20.792 -17.349 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.740 -15.599 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.702 -15.490 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 93 21.785 -17.240 4.878 1.00 0.00 H new