USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=24 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 Single : A 25 MET CE :methyl 157:sc= -0.382 (180deg=-1.71) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.015 (180deg=-0.187) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 1.11 (180deg=-0.0464) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 131:sc= 0.0445 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00503 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+ 162:sc= 1.12 (180deg=0.791) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 2.46 (180deg=2.19) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.0698 (180deg=-0.321) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 74 SER OG : rot -15:sc= 1.08 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-0.12) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -132:sc= 0.684 (180deg=-0.645!) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0.933 (180deg=0.876) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 2.06 (180deg=2.06) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.406 -6.867 2.959 1.00 0.00 N ATOM 329 CA ALA A 22 3.840 -5.576 2.433 1.00 0.00 C ATOM 330 C ALA A 22 3.544 -4.438 3.405 1.00 0.00 C ATOM 331 O ALA A 22 2.383 -4.083 3.634 1.00 0.00 O ATOM 332 CB ALA A 22 3.182 -5.313 1.086 1.00 0.00 C ATOM 0 HA ALA A 22 4.921 -5.616 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.512 -4.348 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.463 -6.098 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.099 -5.305 1.206 1.00 0.00 H new ATOM 338 N GLU A 23 4.601 -3.879 3.978 1.00 0.00 N ATOM 339 CA GLU A 23 4.474 -2.762 4.901 1.00 0.00 C ATOM 340 C GLU A 23 5.553 -1.716 4.606 1.00 0.00 C ATOM 341 O GLU A 23 6.590 -2.033 4.015 1.00 0.00 O ATOM 342 CB GLU A 23 4.571 -3.271 6.348 1.00 0.00 C ATOM 343 CG GLU A 23 4.350 -2.198 7.408 1.00 0.00 C ATOM 344 CD GLU A 23 4.242 -2.769 8.807 1.00 0.00 C ATOM 345 OE1 GLU A 23 4.779 -3.868 9.053 1.00 0.00 O ATOM 346 OE2 GLU A 23 3.604 -2.131 9.671 1.00 0.00 O ATOM 0 H GLU A 23 5.561 -4.184 3.818 1.00 0.00 H new ATOM 0 HA GLU A 23 3.501 -2.288 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.837 -4.063 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.554 -3.717 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.174 -1.485 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.440 -1.645 7.175 1.00 0.00 H new ATOM 353 N ILE A 24 5.289 -0.475 4.988 1.00 0.00 N ATOM 354 CA ILE A 24 6.228 0.618 4.760 1.00 0.00 C ATOM 355 C ILE A 24 7.271 0.674 5.877 1.00 0.00 C ATOM 356 O ILE A 24 6.927 0.600 7.058 1.00 0.00 O ATOM 357 CB ILE A 24 5.490 1.979 4.710 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.478 2.016 3.562 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.478 3.131 4.584 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.102 2.150 2.189 1.00 0.00 C ATOM 0 H ILE A 24 4.428 -0.197 5.460 1.00 0.00 H new ATOM 0 HA ILE A 24 6.718 0.432 3.804 1.00 0.00 H new ATOM 0 HB ILE A 24 4.946 2.094 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.880 1.105 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.795 2.850 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.934 4.075 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.150 3.129 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.058 3.014 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.317 2.169 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.676 3.075 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.763 1.303 2.005 1.00 0.00 H new ATOM 372 N MET A 25 8.538 0.812 5.512 1.00 0.00 N ATOM 373 CA MET A 25 9.598 0.973 6.505 1.00 0.00 C ATOM 374 C MET A 25 10.332 2.290 6.292 1.00 0.00 C ATOM 375 O MET A 25 9.934 3.099 5.452 1.00 0.00 O ATOM 376 CB MET A 25 10.595 -0.190 6.454 1.00 0.00 C ATOM 377 CG MET A 25 9.997 -1.533 6.846 1.00 0.00 C ATOM 378 SD MET A 25 11.212 -2.866 6.861 1.00 0.00 S ATOM 379 CE MET A 25 12.382 -2.242 8.066 1.00 0.00 C ATOM 0 H MET A 25 8.858 0.816 4.544 1.00 0.00 H new ATOM 0 HA MET A 25 9.128 0.978 7.489 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.000 -0.264 5.445 1.00 0.00 H new ATOM 0 HB3 MET A 25 11.431 0.032 7.117 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.545 -1.449 7.834 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.197 -1.786 6.150 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.946 -3.073 8.490 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.068 -1.548 7.581 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.845 -1.725 8.861 1.00 0.00 H new ATOM 389 N LYS A 26 11.384 2.510 7.071 1.00 0.00 N ATOM 390 CA LYS A 26 12.204 3.701 6.958 1.00 0.00 C ATOM 391 C LYS A 26 13.230 3.542 5.848 1.00 0.00 C ATOM 392 O LYS A 26 13.086 2.682 4.986 1.00 0.00 O ATOM 393 CB LYS A 26 12.895 3.961 8.289 1.00 0.00 C ATOM 394 CG LYS A 26 11.920 4.239 9.413 1.00 0.00 C ATOM 395 CD LYS A 26 12.626 4.720 10.668 1.00 0.00 C ATOM 396 CE LYS A 26 11.636 4.976 11.788 1.00 0.00 C ATOM 397 NZ LYS A 26 10.698 6.082 11.459 1.00 0.00 N ATOM 0 H LYS A 26 11.690 1.864 7.799 1.00 0.00 H new ATOM 0 HA LYS A 26 11.569 4.551 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.507 3.097 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.571 4.810 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.199 4.991 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.357 3.333 9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.355 3.975 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.178 5.634 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.069 4.066 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.177 5.219 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.189 6.373 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.233 6.891 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.015 5.757 10.745 1.00 0.00 H new ATOM 411 N LYS A 27 14.240 4.394 5.851 1.00 0.00 N ATOM 412 CA LYS A 27 15.288 4.327 4.844 1.00 0.00 C ATOM 413 C LYS A 27 16.562 3.704 5.413 1.00 0.00 C ATOM 414 O LYS A 27 17.181 2.852 4.775 1.00 0.00 O ATOM 415 CB LYS A 27 15.581 5.722 4.296 1.00 0.00 C ATOM 416 CG LYS A 27 16.520 5.722 3.104 1.00 0.00 C ATOM 417 CD LYS A 27 16.753 7.130 2.591 1.00 0.00 C ATOM 418 CE LYS A 27 17.571 7.134 1.313 1.00 0.00 C ATOM 419 NZ LYS A 27 17.766 8.509 0.786 1.00 0.00 N ATOM 0 H LYS A 27 14.358 5.139 6.537 1.00 0.00 H new ATOM 0 HA LYS A 27 14.936 3.691 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.642 6.195 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.014 6.331 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.472 5.273 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.102 5.106 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.794 7.615 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.267 7.715 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.542 6.676 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.072 6.524 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.329 8.469 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.840 8.937 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.265 9.085 1.494 1.00 0.00 H new ATOM 433 N THR A 28 16.941 4.115 6.615 1.00 0.00 N ATOM 434 CA THR A 28 18.180 3.645 7.218 1.00 0.00 C ATOM 435 C THR A 28 18.078 2.180 7.631 1.00 0.00 C ATOM 436 O THR A 28 18.964 1.382 7.311 1.00 0.00 O ATOM 437 CB THR A 28 18.583 4.513 8.426 1.00 0.00 C ATOM 438 OG1 THR A 28 18.806 5.858 7.985 1.00 0.00 O ATOM 439 CG2 THR A 28 19.845 3.984 9.097 1.00 0.00 C ATOM 0 H THR A 28 16.411 4.770 7.190 1.00 0.00 H new ATOM 0 HA THR A 28 18.958 3.733 6.459 1.00 0.00 H new ATOM 0 HB THR A 28 17.774 4.481 9.156 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.061 6.415 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.100 4.620 9.945 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.672 2.966 9.446 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.667 3.987 8.381 1.00 0.00 H new ATOM 447 N ASP A 29 17.001 1.814 8.317 1.00 0.00 N ATOM 448 CA ASP A 29 16.801 0.415 8.683 1.00 0.00 C ATOM 449 C ASP A 29 16.499 -0.410 7.442 1.00 0.00 C ATOM 450 O ASP A 29 16.896 -1.563 7.359 1.00 0.00 O ATOM 451 CB ASP A 29 15.696 0.234 9.740 1.00 0.00 C ATOM 452 CG ASP A 29 14.435 1.029 9.467 1.00 0.00 C ATOM 453 OD1 ASP A 29 13.814 0.841 8.405 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.046 1.833 10.344 1.00 0.00 O ATOM 0 H ASP A 29 16.266 2.451 8.626 1.00 0.00 H new ATOM 0 HA ASP A 29 17.727 0.061 9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.439 -0.823 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.090 0.524 10.714 1.00 0.00 H new ATOM 459 N PHE A 30 15.834 0.195 6.467 1.00 0.00 N ATOM 460 CA PHE A 30 15.561 -0.466 5.197 1.00 0.00 C ATOM 461 C PHE A 30 16.860 -0.860 4.505 1.00 0.00 C ATOM 462 O PHE A 30 16.972 -1.944 3.938 1.00 0.00 O ATOM 463 CB PHE A 30 14.744 0.449 4.295 1.00 0.00 C ATOM 464 CG PHE A 30 14.348 -0.174 2.989 1.00 0.00 C ATOM 465 CD1 PHE A 30 13.390 -1.174 2.949 1.00 0.00 C ATOM 466 CD2 PHE A 30 14.929 0.243 1.804 1.00 0.00 C ATOM 467 CE1 PHE A 30 13.021 -1.746 1.748 1.00 0.00 C ATOM 468 CE2 PHE A 30 14.564 -0.325 0.602 1.00 0.00 C ATOM 469 CZ PHE A 30 13.608 -1.321 0.575 1.00 0.00 C ATOM 0 H PHE A 30 15.472 1.146 6.532 1.00 0.00 H new ATOM 0 HA PHE A 30 14.988 -1.372 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.843 0.756 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.320 1.353 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.928 -1.509 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 30 15.677 1.022 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.274 -2.525 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.025 0.008 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.320 -1.767 -0.365 1.00 0.00 H new ATOM 479 N ASP A 31 17.843 0.023 4.565 1.00 0.00 N ATOM 480 CA ASP A 31 19.155 -0.243 3.981 1.00 0.00 C ATOM 481 C ASP A 31 19.857 -1.388 4.706 1.00 0.00 C ATOM 482 O ASP A 31 20.581 -2.176 4.095 1.00 0.00 O ATOM 483 CB ASP A 31 20.017 1.027 4.034 1.00 0.00 C ATOM 484 CG ASP A 31 21.450 0.791 3.590 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.677 0.581 2.379 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.360 0.818 4.452 1.00 0.00 O ATOM 0 H ASP A 31 17.760 0.935 5.014 1.00 0.00 H new ATOM 0 HA ASP A 31 19.014 -0.539 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.567 1.791 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.017 1.417 5.052 1.00 0.00 H new ATOM 491 N LYS A 32 19.623 -1.486 6.002 1.00 0.00 N ATOM 492 CA LYS A 32 20.247 -2.509 6.828 1.00 0.00 C ATOM 493 C LYS A 32 19.492 -3.831 6.752 1.00 0.00 C ATOM 494 O LYS A 32 20.097 -4.900 6.856 1.00 0.00 O ATOM 495 CB LYS A 32 20.336 -2.006 8.270 1.00 0.00 C ATOM 496 CG LYS A 32 21.638 -1.281 8.586 1.00 0.00 C ATOM 497 CD LYS A 32 21.803 -0.049 7.714 1.00 0.00 C ATOM 498 CE LYS A 32 23.185 0.566 7.843 1.00 0.00 C ATOM 499 NZ LYS A 32 23.379 1.691 6.887 1.00 0.00 N ATOM 0 H LYS A 32 18.998 -0.862 6.512 1.00 0.00 H new ATOM 0 HA LYS A 32 21.252 -2.700 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.500 -1.334 8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.228 -2.852 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.651 -0.991 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.480 -1.955 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.622 -0.316 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.051 0.691 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.330 0.925 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.941 -0.198 7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.376 1.986 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.117 1.382 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.779 2.493 7.168 1.00 0.00 H new ATOM 513 N VAL A 33 18.185 -3.767 6.560 1.00 0.00 N ATOM 514 CA VAL A 33 17.391 -4.976 6.424 1.00 0.00 C ATOM 515 C VAL A 33 17.358 -5.444 4.976 1.00 0.00 C ATOM 516 O VAL A 33 16.941 -6.562 4.695 1.00 0.00 O ATOM 517 CB VAL A 33 15.949 -4.800 6.946 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.967 -4.414 8.413 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.185 -3.770 6.133 1.00 0.00 C ATOM 0 H VAL A 33 17.655 -2.898 6.495 1.00 0.00 H new ATOM 0 HA VAL A 33 17.876 -5.733 7.040 1.00 0.00 H new ATOM 0 HB VAL A 33 15.433 -5.754 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.944 -4.293 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.462 -5.196 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.508 -3.476 8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.174 -3.672 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.694 -2.808 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.138 -4.090 5.092 1.00 0.00 H new ATOM 529 N ALA A 34 17.811 -4.585 4.054 1.00 0.00 N ATOM 530 CA ALA A 34 17.944 -4.968 2.649 1.00 0.00 C ATOM 531 C ALA A 34 18.907 -6.138 2.512 1.00 0.00 C ATOM 532 O ALA A 34 18.859 -6.898 1.545 1.00 0.00 O ATOM 533 CB ALA A 34 18.422 -3.789 1.813 1.00 0.00 C ATOM 0 H ALA A 34 18.090 -3.625 4.258 1.00 0.00 H new ATOM 0 HA ALA A 34 16.965 -5.274 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.514 -4.095 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.703 -2.974 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.392 -3.453 2.179 1.00 0.00 H new ATOM 539 N SER A 35 19.778 -6.265 3.499 1.00 0.00 N ATOM 540 CA SER A 35 20.692 -7.384 3.591 1.00 0.00 C ATOM 541 C SER A 35 19.912 -8.697 3.730 1.00 0.00 C ATOM 542 O SER A 35 20.228 -9.692 3.072 1.00 0.00 O ATOM 543 CB SER A 35 21.646 -7.158 4.775 1.00 0.00 C ATOM 544 OG SER A 35 22.456 -8.296 5.020 1.00 0.00 O ATOM 0 H SER A 35 19.869 -5.592 4.260 1.00 0.00 H new ATOM 0 HA SER A 35 21.286 -7.457 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.281 -6.296 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.068 -6.924 5.669 1.00 0.00 H new ATOM 0 HG SER A 35 23.051 -8.117 5.778 1.00 0.00 H new ATOM 550 N GLU A 36 18.859 -8.677 4.549 1.00 0.00 N ATOM 551 CA GLU A 36 18.003 -9.842 4.753 1.00 0.00 C ATOM 552 C GLU A 36 16.936 -9.933 3.656 1.00 0.00 C ATOM 553 O GLU A 36 16.068 -10.808 3.693 1.00 0.00 O ATOM 554 CB GLU A 36 17.312 -9.749 6.121 1.00 0.00 C ATOM 555 CG GLU A 36 18.249 -9.405 7.268 1.00 0.00 C ATOM 556 CD GLU A 36 17.550 -9.379 8.619 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.367 -10.453 9.230 1.00 0.00 O ATOM 558 OE2 GLU A 36 17.181 -8.277 9.079 1.00 0.00 O ATOM 0 H GLU A 36 18.578 -7.856 5.086 1.00 0.00 H new ATOM 0 HA GLU A 36 18.628 -10.734 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.527 -8.995 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.826 -10.701 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.060 -10.133 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.702 -8.431 7.081 1.00 0.00 H new ATOM 565 N TYR A 37 17.021 -9.047 2.665 1.00 0.00 N ATOM 566 CA TYR A 37 15.969 -8.901 1.661 1.00 0.00 C ATOM 567 C TYR A 37 16.531 -8.991 0.246 1.00 0.00 C ATOM 568 O TYR A 37 17.731 -9.149 0.054 1.00 0.00 O ATOM 569 CB TYR A 37 15.242 -7.562 1.831 1.00 0.00 C ATOM 570 CG TYR A 37 14.390 -7.462 3.078 1.00 0.00 C ATOM 571 CD1 TYR A 37 13.988 -8.598 3.765 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.985 -6.229 3.564 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.210 -8.510 4.899 1.00 0.00 C ATOM 574 CE2 TYR A 37 13.206 -6.132 4.701 1.00 0.00 C ATOM 575 CZ TYR A 37 12.823 -7.277 5.363 1.00 0.00 C ATOM 576 OH TYR A 37 12.048 -7.192 6.491 1.00 0.00 O ATOM 0 H TYR A 37 17.812 -8.416 2.536 1.00 0.00 H new ATOM 0 HA TYR A 37 15.265 -9.720 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.982 -6.761 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.609 -7.394 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.291 -9.570 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.283 -5.330 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.906 -9.406 5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.899 -5.164 5.068 1.00 0.00 H new ATOM 0 HH TYR A 37 11.861 -6.251 6.689 1.00 0.00 H new ATOM 586 N THR A 38 15.649 -8.894 -0.738 1.00 0.00 N ATOM 587 CA THR A 38 16.023 -8.966 -2.141 1.00 0.00 C ATOM 588 C THR A 38 15.077 -8.066 -2.933 1.00 0.00 C ATOM 589 O THR A 38 14.019 -7.695 -2.429 1.00 0.00 O ATOM 590 CB THR A 38 15.948 -10.427 -2.652 1.00 0.00 C ATOM 591 OG1 THR A 38 16.709 -11.282 -1.790 1.00 0.00 O ATOM 592 CG2 THR A 38 16.479 -10.555 -4.073 1.00 0.00 C ATOM 0 H THR A 38 14.649 -8.763 -0.584 1.00 0.00 H new ATOM 0 HA THR A 38 17.051 -8.628 -2.271 1.00 0.00 H new ATOM 0 HB THR A 38 14.899 -10.723 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.657 -12.205 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.410 -11.594 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.888 -9.928 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.521 -10.235 -4.102 1.00 0.00 H new ATOM 600 N LYS A 39 15.441 -7.705 -4.150 1.00 0.00 N ATOM 601 CA LYS A 39 14.648 -6.757 -4.913 1.00 0.00 C ATOM 602 C LYS A 39 14.099 -7.401 -6.174 1.00 0.00 C ATOM 603 O LYS A 39 14.855 -7.835 -7.043 1.00 0.00 O ATOM 604 CB LYS A 39 15.477 -5.522 -5.263 1.00 0.00 C ATOM 605 CG LYS A 39 14.665 -4.415 -5.904 1.00 0.00 C ATOM 606 CD LYS A 39 15.486 -3.151 -6.075 1.00 0.00 C ATOM 607 CE LYS A 39 14.622 -2.002 -6.556 1.00 0.00 C ATOM 608 NZ LYS A 39 15.383 -0.730 -6.626 1.00 0.00 N ATOM 0 H LYS A 39 16.273 -8.050 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 39 13.806 -6.446 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.947 -5.140 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.280 -5.812 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.299 -4.747 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.790 -4.202 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.954 -2.886 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.290 -3.329 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.218 -2.238 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.772 -1.880 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.747 0.067 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.154 -0.748 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.782 -0.616 -7.580 1.00 0.00 H new ATOM 622 N ILE A 40 12.778 -7.457 -6.262 1.00 0.00 N ATOM 623 CA ILE A 40 12.111 -8.070 -7.403 1.00 0.00 C ATOM 624 C ILE A 40 11.967 -7.083 -8.560 1.00 0.00 C ATOM 625 O ILE A 40 11.886 -7.485 -9.721 1.00 0.00 O ATOM 626 CB ILE A 40 10.722 -8.627 -7.018 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.881 -7.546 -6.337 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.879 -9.845 -6.117 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.494 -8.007 -5.951 1.00 0.00 C ATOM 0 H ILE A 40 12.145 -7.084 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 40 12.740 -8.900 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 40 10.201 -8.935 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.402 -7.203 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.796 -6.689 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.895 -10.230 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.441 -10.617 -6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.414 -9.561 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.958 -7.187 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.954 -8.323 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.569 -8.844 -5.257 1.00 0.00 H new ATOM 641 N GLY A 41 11.944 -5.794 -8.248 1.00 0.00 N ATOM 642 CA GLY A 41 11.845 -4.787 -9.283 1.00 0.00 C ATOM 643 C GLY A 41 11.220 -3.516 -8.765 1.00 0.00 C ATOM 644 O GLY A 41 10.814 -3.451 -7.607 1.00 0.00 O ATOM 0 H GLY A 41 11.992 -5.429 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.838 -4.570 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.251 -5.173 -10.111 1.00 0.00 H new ATOM 648 N THR A 42 11.155 -2.504 -9.611 1.00 0.00 N ATOM 649 CA THR A 42 10.539 -1.243 -9.241 1.00 0.00 C ATOM 650 C THR A 42 9.180 -1.104 -9.922 1.00 0.00 C ATOM 651 O THR A 42 8.961 -1.651 -11.003 1.00 0.00 O ATOM 652 CB THR A 42 11.434 -0.053 -9.639 1.00 0.00 C ATOM 653 OG1 THR A 42 12.814 -0.378 -9.404 1.00 0.00 O ATOM 654 CG2 THR A 42 11.072 1.198 -8.849 1.00 0.00 C ATOM 0 H THR A 42 11.523 -2.531 -10.562 1.00 0.00 H new ATOM 0 HA THR A 42 10.409 -1.237 -8.159 1.00 0.00 H new ATOM 0 HB THR A 42 11.274 0.146 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.377 0.382 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.721 2.020 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.033 1.464 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.203 1.006 -7.784 1.00 0.00 H new ATOM 662 N ILE A 43 8.274 -0.383 -9.288 1.00 0.00 N ATOM 663 CA ILE A 43 6.954 -0.144 -9.851 1.00 0.00 C ATOM 664 C ILE A 43 6.695 1.352 -9.922 1.00 0.00 C ATOM 665 O ILE A 43 7.396 2.130 -9.278 1.00 0.00 O ATOM 666 CB ILE A 43 5.840 -0.815 -9.022 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.873 -0.307 -7.578 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.979 -2.331 -9.068 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.812 -0.922 -6.690 1.00 0.00 C ATOM 0 H ILE A 43 8.428 0.050 -8.378 1.00 0.00 H new ATOM 0 HA ILE A 43 6.937 -0.582 -10.849 1.00 0.00 H new ATOM 0 HB ILE A 43 4.875 -0.551 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.855 -0.514 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.749 0.776 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.184 -2.787 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.905 -2.672 -10.101 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.947 -2.620 -8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.899 -0.513 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.825 -0.693 -7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.948 -2.003 -6.656 1.00 0.00 H new ATOM 681 N SER A 44 5.696 1.763 -10.684 1.00 0.00 N ATOM 682 CA SER A 44 5.447 3.177 -10.881 1.00 0.00 C ATOM 683 C SER A 44 3.962 3.500 -11.014 1.00 0.00 C ATOM 684 O SER A 44 3.107 2.612 -10.999 1.00 0.00 O ATOM 685 CB SER A 44 6.197 3.646 -12.121 1.00 0.00 C ATOM 686 OG SER A 44 6.130 2.679 -13.157 1.00 0.00 O ATOM 0 H SER A 44 5.050 1.142 -11.172 1.00 0.00 H new ATOM 0 HA SER A 44 5.804 3.704 -9.996 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.774 4.588 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.239 3.840 -11.867 1.00 0.00 H new ATOM 0 HG SER A 44 6.618 3.006 -13.942 1.00 0.00 H new ATOM 692 N THR A 45 3.673 4.789 -11.113 1.00 0.00 N ATOM 693 CA THR A 45 2.327 5.278 -11.363 1.00 0.00 C ATOM 694 C THR A 45 2.328 6.152 -12.604 1.00 0.00 C ATOM 695 O THR A 45 3.255 6.937 -12.808 1.00 0.00 O ATOM 696 CB THR A 45 1.795 6.093 -10.167 1.00 0.00 C ATOM 697 OG1 THR A 45 2.853 6.892 -9.613 1.00 0.00 O ATOM 698 CG2 THR A 45 1.221 5.185 -9.092 1.00 0.00 C ATOM 0 H THR A 45 4.370 5.528 -11.022 1.00 0.00 H new ATOM 0 HA THR A 45 1.675 4.417 -11.509 1.00 0.00 H new ATOM 0 HB THR A 45 0.996 6.740 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.543 7.815 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.854 5.790 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.399 4.603 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.998 4.510 -8.733 1.00 0.00 H new ATOM 706 N THR A 46 1.315 6.008 -13.442 1.00 0.00 N ATOM 707 CA THR A 46 1.234 6.796 -14.653 1.00 0.00 C ATOM 708 C THR A 46 -0.204 7.172 -14.972 1.00 0.00 C ATOM 709 O THR A 46 -1.008 6.325 -15.373 1.00 0.00 O ATOM 710 CB THR A 46 1.816 6.047 -15.859 1.00 0.00 C ATOM 711 OG1 THR A 46 3.053 5.411 -15.504 1.00 0.00 O ATOM 712 CG2 THR A 46 2.046 7.007 -17.013 1.00 0.00 C ATOM 0 H THR A 46 0.543 5.356 -13.304 1.00 0.00 H new ATOM 0 HA THR A 46 1.820 7.697 -14.471 1.00 0.00 H new ATOM 0 HB THR A 46 1.102 5.284 -16.167 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.412 4.936 -16.283 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.459 6.463 -17.862 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.099 7.464 -17.301 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.745 7.785 -16.706 1.00 0.00 H new ATOM 720 N GLY A 47 -0.521 8.438 -14.794 1.00 0.00 N ATOM 721 CA GLY A 47 -1.829 8.925 -15.144 1.00 0.00 C ATOM 722 C GLY A 47 -2.163 10.210 -14.432 1.00 0.00 C ATOM 723 O GLY A 47 -1.465 11.214 -14.584 1.00 0.00 O ATOM 0 H GLY A 47 0.110 9.142 -14.410 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.880 9.084 -16.221 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.575 8.170 -14.897 1.00 0.00 H new ATOM 727 N GLU A 48 -3.220 10.166 -13.644 1.00 0.00 N ATOM 728 CA GLU A 48 -3.713 11.341 -12.938 1.00 0.00 C ATOM 729 C GLU A 48 -4.755 10.944 -11.897 1.00 0.00 C ATOM 730 O GLU A 48 -5.955 10.916 -12.171 1.00 0.00 O ATOM 731 CB GLU A 48 -4.287 12.362 -13.931 1.00 0.00 C ATOM 732 CG GLU A 48 -5.232 11.756 -14.962 1.00 0.00 C ATOM 733 CD GLU A 48 -5.640 12.743 -16.035 1.00 0.00 C ATOM 734 OE1 GLU A 48 -4.890 12.897 -17.023 1.00 0.00 O ATOM 735 OE2 GLU A 48 -6.716 13.362 -15.903 1.00 0.00 O ATOM 0 H GLU A 48 -3.762 9.319 -13.473 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.878 11.808 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.818 13.135 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.463 12.851 -14.451 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.750 10.897 -15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.124 11.386 -14.457 1.00 0.00 H new ATOM 742 N MET A 49 -4.283 10.606 -10.708 1.00 0.00 N ATOM 743 CA MET A 49 -5.154 10.176 -9.623 1.00 0.00 C ATOM 744 C MET A 49 -4.727 10.841 -8.328 1.00 0.00 C ATOM 745 O MET A 49 -3.648 11.431 -8.259 1.00 0.00 O ATOM 746 CB MET A 49 -5.105 8.655 -9.462 1.00 0.00 C ATOM 747 CG MET A 49 -5.596 7.889 -10.680 1.00 0.00 C ATOM 748 SD MET A 49 -7.349 8.149 -11.026 1.00 0.00 S ATOM 749 CE MET A 49 -7.502 7.288 -12.593 1.00 0.00 C ATOM 0 H MET A 49 -3.292 10.621 -10.467 1.00 0.00 H new ATOM 0 HA MET A 49 -6.176 10.468 -9.863 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.079 8.355 -9.246 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.708 8.371 -8.600 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.012 8.190 -11.550 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.416 6.825 -10.528 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.531 7.355 -12.946 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.837 7.745 -13.326 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.231 6.241 -12.461 1.00 0.00 H new ATOM 759 N SER A 50 -5.563 10.743 -7.306 1.00 0.00 N ATOM 760 CA SER A 50 -5.271 11.357 -6.021 1.00 0.00 C ATOM 761 C SER A 50 -4.070 10.675 -5.350 1.00 0.00 C ATOM 762 O SER A 50 -3.846 9.478 -5.532 1.00 0.00 O ATOM 763 CB SER A 50 -6.517 11.302 -5.138 1.00 0.00 C ATOM 764 OG SER A 50 -7.589 12.014 -5.742 1.00 0.00 O ATOM 0 H SER A 50 -6.451 10.243 -7.342 1.00 0.00 H new ATOM 0 HA SER A 50 -5.000 12.402 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.808 10.264 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.295 11.728 -4.160 1.00 0.00 H new ATOM 0 HG SER A 50 -8.379 11.967 -5.164 1.00 0.00 H new ATOM 770 N PRO A 51 -3.287 11.440 -4.565 1.00 0.00 N ATOM 771 CA PRO A 51 -2.006 10.986 -4.007 1.00 0.00 C ATOM 772 C PRO A 51 -2.104 9.688 -3.210 1.00 0.00 C ATOM 773 O PRO A 51 -1.285 8.788 -3.386 1.00 0.00 O ATOM 774 CB PRO A 51 -1.564 12.143 -3.097 1.00 0.00 C ATOM 775 CG PRO A 51 -2.777 12.988 -2.911 1.00 0.00 C ATOM 776 CD PRO A 51 -3.592 12.817 -4.157 1.00 0.00 C ATOM 0 HA PRO A 51 -1.301 10.756 -4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.194 11.772 -2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.754 12.713 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.339 12.676 -2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.506 14.033 -2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.656 12.955 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.311 13.537 -4.925 1.00 0.00 H new ATOM 784 N LEU A 52 -3.107 9.581 -2.349 1.00 0.00 N ATOM 785 CA LEU A 52 -3.252 8.401 -1.502 1.00 0.00 C ATOM 786 C LEU A 52 -3.687 7.205 -2.333 1.00 0.00 C ATOM 787 O LEU A 52 -3.270 6.077 -2.068 1.00 0.00 O ATOM 788 CB LEU A 52 -4.255 8.641 -0.364 1.00 0.00 C ATOM 789 CG LEU A 52 -3.866 9.708 0.669 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.053 11.111 0.111 1.00 0.00 C ATOM 791 CD2 LEU A 52 -4.679 9.532 1.941 1.00 0.00 C ATOM 0 H LEU A 52 -3.828 10.290 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.279 8.195 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.211 8.923 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.411 7.698 0.160 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.809 9.579 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.769 11.844 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.426 11.238 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.098 11.258 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.393 10.295 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.740 9.630 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.488 8.544 2.361 1.00 0.00 H new ATOM 803 N ASP A 53 -4.500 7.459 -3.350 1.00 0.00 N ATOM 804 CA ASP A 53 -4.934 6.405 -4.259 1.00 0.00 C ATOM 805 C ASP A 53 -3.742 5.882 -5.048 1.00 0.00 C ATOM 806 O ASP A 53 -3.618 4.682 -5.284 1.00 0.00 O ATOM 807 CB ASP A 53 -6.015 6.914 -5.211 1.00 0.00 C ATOM 808 CG ASP A 53 -6.452 5.852 -6.202 1.00 0.00 C ATOM 809 OD1 ASP A 53 -6.953 4.796 -5.764 1.00 0.00 O ATOM 810 OD2 ASP A 53 -6.286 6.067 -7.423 1.00 0.00 O ATOM 0 H ASP A 53 -4.872 8.384 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.359 5.593 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.878 7.247 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.640 7.782 -5.753 1.00 0.00 H new ATOM 815 N ALA A 54 -2.858 6.796 -5.430 1.00 0.00 N ATOM 816 CA ALA A 54 -1.616 6.436 -6.104 1.00 0.00 C ATOM 817 C ALA A 54 -0.766 5.540 -5.211 1.00 0.00 C ATOM 818 O ALA A 54 -0.191 4.556 -5.673 1.00 0.00 O ATOM 819 CB ALA A 54 -0.842 7.687 -6.486 1.00 0.00 C ATOM 0 H ALA A 54 -2.979 7.798 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.861 5.886 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.083 7.403 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.446 8.298 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.607 8.258 -5.588 1.00 0.00 H new ATOM 825 N ARG A 55 -0.707 5.885 -3.926 1.00 0.00 N ATOM 826 CA ARG A 55 0.025 5.096 -2.947 1.00 0.00 C ATOM 827 C ARG A 55 -0.504 3.678 -2.926 1.00 0.00 C ATOM 828 O ARG A 55 0.228 2.728 -3.146 1.00 0.00 O ATOM 829 CB ARG A 55 -0.168 5.665 -1.543 1.00 0.00 C ATOM 830 CG ARG A 55 0.184 7.124 -1.362 1.00 0.00 C ATOM 831 CD ARG A 55 -0.149 7.548 0.056 1.00 0.00 C ATOM 832 NE ARG A 55 -1.407 6.940 0.506 1.00 0.00 N ATOM 833 CZ ARG A 55 -1.793 6.853 1.777 1.00 0.00 C ATOM 834 NH1 ARG A 55 -1.028 7.350 2.741 1.00 0.00 N ATOM 835 NH2 ARG A 55 -2.945 6.259 2.078 1.00 0.00 N ATOM 0 H ARG A 55 -1.162 6.712 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 55 1.078 5.120 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.210 5.526 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.434 5.078 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.244 7.282 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.369 7.735 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.660 7.256 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.228 8.634 0.105 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.029 6.557 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.142 7.800 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.326 7.282 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.529 5.872 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.244 6.190 3.051 1.00 0.00 H new ATOM 849 N GLU A 56 -1.796 3.561 -2.665 1.00 0.00 N ATOM 850 CA GLU A 56 -2.432 2.273 -2.466 1.00 0.00 C ATOM 851 C GLU A 56 -2.498 1.471 -3.764 1.00 0.00 C ATOM 852 O GLU A 56 -2.508 0.242 -3.735 1.00 0.00 O ATOM 853 CB GLU A 56 -3.807 2.494 -1.839 1.00 0.00 C ATOM 854 CG GLU A 56 -3.702 3.021 -0.412 1.00 0.00 C ATOM 855 CD GLU A 56 -4.966 3.690 0.083 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.042 3.062 0.022 1.00 0.00 O ATOM 857 OE2 GLU A 56 -4.888 4.853 0.539 1.00 0.00 O ATOM 0 H GLU A 56 -2.430 4.356 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.833 1.671 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.374 3.200 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.362 1.556 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.454 2.195 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.879 3.733 -0.357 1.00 0.00 H new ATOM 864 N ASP A 57 -2.510 2.164 -4.900 1.00 0.00 N ATOM 865 CA ASP A 57 -2.372 1.499 -6.195 1.00 0.00 C ATOM 866 C ASP A 57 -1.011 0.823 -6.268 1.00 0.00 C ATOM 867 O ASP A 57 -0.895 -0.344 -6.633 1.00 0.00 O ATOM 868 CB ASP A 57 -2.511 2.505 -7.343 1.00 0.00 C ATOM 869 CG ASP A 57 -2.356 1.865 -8.711 1.00 0.00 C ATOM 870 OD1 ASP A 57 -3.371 1.406 -9.273 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.220 1.834 -9.241 1.00 0.00 O ATOM 0 H ASP A 57 -2.613 3.177 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.163 0.756 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.487 2.987 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.761 3.288 -7.226 1.00 0.00 H new ATOM 876 N LEU A 58 0.011 1.574 -5.880 1.00 0.00 N ATOM 877 CA LEU A 58 1.374 1.070 -5.804 1.00 0.00 C ATOM 878 C LEU A 58 1.482 -0.064 -4.784 1.00 0.00 C ATOM 879 O LEU A 58 2.033 -1.126 -5.073 1.00 0.00 O ATOM 880 CB LEU A 58 2.313 2.220 -5.421 1.00 0.00 C ATOM 881 CG LEU A 58 2.622 3.207 -6.545 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.408 4.397 -6.016 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.391 2.513 -7.654 1.00 0.00 C ATOM 0 H LEU A 58 -0.083 2.553 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 58 1.659 0.671 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.870 2.768 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.251 1.798 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 58 1.680 3.576 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.617 5.087 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.824 4.908 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.347 4.050 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.606 3.227 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.327 2.120 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.794 1.693 -8.053 1.00 0.00 H new ATOM 895 N ILE A 59 0.927 0.168 -3.605 1.00 0.00 N ATOM 896 CA ILE A 59 0.979 -0.791 -2.507 1.00 0.00 C ATOM 897 C ILE A 59 0.323 -2.121 -2.888 1.00 0.00 C ATOM 898 O ILE A 59 0.887 -3.190 -2.646 1.00 0.00 O ATOM 899 CB ILE A 59 0.298 -0.210 -1.245 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.044 1.044 -0.778 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.246 -1.245 -0.126 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.217 1.963 0.097 1.00 0.00 C ATOM 0 H ILE A 59 0.426 1.028 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 59 2.030 -0.982 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.727 0.060 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.935 0.741 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.383 1.600 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.237 -0.811 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.321 -2.114 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.259 -1.551 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.816 2.827 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.661 2.298 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.100 1.426 0.991 1.00 0.00 H new ATOM 914 N LYS A 60 -0.857 -2.054 -3.496 1.00 0.00 N ATOM 915 CA LYS A 60 -1.584 -3.260 -3.871 1.00 0.00 C ATOM 916 C LYS A 60 -0.919 -3.939 -5.068 1.00 0.00 C ATOM 917 O LYS A 60 -0.960 -5.153 -5.200 1.00 0.00 O ATOM 918 CB LYS A 60 -3.050 -2.941 -4.186 1.00 0.00 C ATOM 919 CG LYS A 60 -3.275 -2.412 -5.590 1.00 0.00 C ATOM 920 CD LYS A 60 -4.709 -1.960 -5.798 1.00 0.00 C ATOM 921 CE LYS A 60 -5.071 -1.925 -7.274 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.126 -3.296 -7.851 1.00 0.00 N ATOM 0 H LYS A 60 -1.328 -1.182 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.558 -3.945 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.646 -3.843 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.414 -2.206 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.600 -1.577 -5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.030 -3.188 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.385 -2.635 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.846 -0.969 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.036 -1.435 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.337 -1.329 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.658 -3.275 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.160 -3.636 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.599 -3.936 -7.181 1.00 0.00 H new ATOM 936 N LYS A 61 -0.299 -3.140 -5.930 1.00 0.00 N ATOM 937 CA LYS A 61 0.388 -3.649 -7.108 1.00 0.00 C ATOM 938 C LYS A 61 1.644 -4.409 -6.708 1.00 0.00 C ATOM 939 O LYS A 61 1.940 -5.473 -7.251 1.00 0.00 O ATOM 940 CB LYS A 61 0.746 -2.481 -8.017 1.00 0.00 C ATOM 941 CG LYS A 61 0.330 -2.680 -9.456 1.00 0.00 C ATOM 942 CD LYS A 61 0.077 -1.347 -10.144 1.00 0.00 C ATOM 943 CE LYS A 61 1.267 -0.407 -10.022 1.00 0.00 C ATOM 944 NZ LYS A 61 0.958 0.946 -10.555 1.00 0.00 N ATOM 0 H LYS A 61 -0.259 -2.126 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.269 -4.338 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.274 -1.576 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.823 -2.319 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.108 -3.226 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.573 -3.290 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.142 -1.519 -11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.804 -0.875 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.561 -0.327 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.117 -0.825 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.817 1.532 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.620 0.864 -11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.221 1.389 -9.971 1.00 0.00 H new ATOM 958 N ALA A 62 2.384 -3.847 -5.763 1.00 0.00 N ATOM 959 CA ALA A 62 3.524 -4.535 -5.170 1.00 0.00 C ATOM 960 C ALA A 62 3.074 -5.843 -4.533 1.00 0.00 C ATOM 961 O ALA A 62 3.734 -6.873 -4.656 1.00 0.00 O ATOM 962 CB ALA A 62 4.192 -3.647 -4.134 1.00 0.00 C ATOM 0 H ALA A 62 2.215 -2.913 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 62 4.246 -4.759 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.042 -4.172 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.538 -2.729 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.476 -3.402 -3.349 1.00 0.00 H new ATOM 968 N ASP A 63 1.931 -5.790 -3.862 1.00 0.00 N ATOM 969 CA ASP A 63 1.331 -6.970 -3.247 1.00 0.00 C ATOM 970 C ASP A 63 0.899 -7.973 -4.319 1.00 0.00 C ATOM 971 O ASP A 63 0.989 -9.187 -4.130 1.00 0.00 O ATOM 972 CB ASP A 63 0.130 -6.549 -2.395 1.00 0.00 C ATOM 973 CG ASP A 63 -0.530 -7.713 -1.686 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.023 -8.186 -0.671 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.610 -8.153 -2.130 1.00 0.00 O ATOM 0 H ASP A 63 1.395 -4.933 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 63 2.071 -7.453 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.455 -5.817 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.604 -6.055 -3.031 1.00 0.00 H new ATOM 980 N GLU A 64 0.443 -7.442 -5.446 1.00 0.00 N ATOM 981 CA GLU A 64 0.035 -8.245 -6.592 1.00 0.00 C ATOM 982 C GLU A 64 1.228 -8.946 -7.234 1.00 0.00 C ATOM 983 O GLU A 64 1.140 -10.112 -7.619 1.00 0.00 O ATOM 984 CB GLU A 64 -0.676 -7.358 -7.620 1.00 0.00 C ATOM 985 CG GLU A 64 -2.139 -7.128 -7.314 1.00 0.00 C ATOM 986 CD GLU A 64 -2.810 -6.197 -8.303 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.068 -6.625 -9.449 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.094 -5.040 -7.936 1.00 0.00 O ATOM 0 H GLU A 64 0.345 -6.437 -5.592 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.652 -9.015 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.168 -6.395 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.587 -7.816 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.660 -8.086 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.234 -6.713 -6.310 1.00 0.00 H new ATOM 995 N LYS A 65 2.340 -8.234 -7.359 1.00 0.00 N ATOM 996 CA LYS A 65 3.553 -8.821 -7.908 1.00 0.00 C ATOM 997 C LYS A 65 4.189 -9.767 -6.895 1.00 0.00 C ATOM 998 O LYS A 65 4.754 -10.800 -7.259 1.00 0.00 O ATOM 999 CB LYS A 65 4.544 -7.728 -8.327 1.00 0.00 C ATOM 1000 CG LYS A 65 5.825 -8.270 -8.938 1.00 0.00 C ATOM 1001 CD LYS A 65 6.654 -7.169 -9.582 1.00 0.00 C ATOM 1002 CE LYS A 65 7.958 -7.710 -10.152 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.737 -8.852 -11.079 1.00 0.00 N ATOM 0 H LYS A 65 2.426 -7.254 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 65 3.288 -9.394 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.060 -7.067 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.795 -7.123 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.415 -8.765 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.580 -9.025 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.077 -6.696 -10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.871 -6.397 -8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.480 -6.912 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.605 -8.028 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.617 -9.055 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.453 -9.691 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.986 -8.609 -11.757 1.00 0.00 H new ATOM 1017 N GLY A 66 4.079 -9.423 -5.623 1.00 0.00 N ATOM 1018 CA GLY A 66 4.605 -10.280 -4.581 1.00 0.00 C ATOM 1019 C GLY A 66 5.787 -9.668 -3.866 1.00 0.00 C ATOM 1020 O GLY A 66 6.889 -10.216 -3.890 1.00 0.00 O ATOM 0 H GLY A 66 3.635 -8.566 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.817 -10.491 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.903 -11.234 -5.016 1.00 0.00 H new ATOM 1024 N ALA A 67 5.558 -8.522 -3.248 1.00 0.00 N ATOM 1025 CA ALA A 67 6.579 -7.847 -2.462 1.00 0.00 C ATOM 1026 C ALA A 67 6.216 -7.886 -0.984 1.00 0.00 C ATOM 1027 O ALA A 67 5.036 -7.938 -0.629 1.00 0.00 O ATOM 1028 CB ALA A 67 6.748 -6.408 -2.927 1.00 0.00 C ATOM 0 H ALA A 67 4.663 -8.034 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 67 7.526 -8.368 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.516 -5.920 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.045 -6.397 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.804 -5.875 -2.812 1.00 0.00 H new ATOM 1034 N ASP A 68 7.233 -7.859 -0.133 1.00 0.00 N ATOM 1035 CA ASP A 68 7.028 -7.918 1.312 1.00 0.00 C ATOM 1036 C ASP A 68 7.235 -6.551 1.945 1.00 0.00 C ATOM 1037 O ASP A 68 6.618 -6.218 2.950 1.00 0.00 O ATOM 1038 CB ASP A 68 7.988 -8.919 1.956 1.00 0.00 C ATOM 1039 CG ASP A 68 7.688 -10.361 1.607 1.00 0.00 C ATOM 1040 OD1 ASP A 68 6.535 -10.685 1.277 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.617 -11.192 1.678 1.00 0.00 O ATOM 0 H ASP A 68 8.211 -7.797 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 68 6.001 -8.241 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.006 -8.684 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.949 -8.801 3.039 1.00 0.00 H new ATOM 1046 N VAL A 69 8.120 -5.766 1.363 1.00 0.00 N ATOM 1047 CA VAL A 69 8.396 -4.431 1.870 1.00 0.00 C ATOM 1048 C VAL A 69 8.195 -3.421 0.759 1.00 0.00 C ATOM 1049 O VAL A 69 8.563 -3.683 -0.385 1.00 0.00 O ATOM 1050 CB VAL A 69 9.837 -4.304 2.407 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.027 -2.981 3.132 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.182 -5.472 3.315 1.00 0.00 C ATOM 0 H VAL A 69 8.661 -6.027 0.539 1.00 0.00 H new ATOM 0 HA VAL A 69 7.709 -4.241 2.695 1.00 0.00 H new ATOM 0 HB VAL A 69 10.518 -4.326 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.050 -2.913 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.834 -2.158 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.333 -2.923 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.203 -5.359 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.494 -5.492 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.097 -6.404 2.757 1.00 0.00 H new ATOM 1062 N VAL A 70 7.606 -2.279 1.081 1.00 0.00 N ATOM 1063 CA VAL A 70 7.371 -1.256 0.080 1.00 0.00 C ATOM 1064 C VAL A 70 7.889 0.092 0.564 1.00 0.00 C ATOM 1065 O VAL A 70 7.797 0.416 1.749 1.00 0.00 O ATOM 1066 CB VAL A 70 5.866 -1.143 -0.275 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.405 -2.361 -1.056 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.023 -0.986 0.980 1.00 0.00 C ATOM 0 H VAL A 70 7.285 -2.041 2.020 1.00 0.00 H new ATOM 0 HA VAL A 70 7.912 -1.548 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 70 5.737 -0.256 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.346 -2.261 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.979 -2.440 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.558 -3.258 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.971 -0.909 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.166 -1.853 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.326 -0.084 1.511 1.00 0.00 H new ATOM 1078 N VAL A 71 8.452 0.867 -0.355 1.00 0.00 N ATOM 1079 CA VAL A 71 8.924 2.207 -0.045 1.00 0.00 C ATOM 1080 C VAL A 71 8.388 3.192 -1.070 1.00 0.00 C ATOM 1081 O VAL A 71 8.720 3.121 -2.254 1.00 0.00 O ATOM 1082 CB VAL A 71 10.469 2.286 -0.014 1.00 0.00 C ATOM 1083 CG1 VAL A 71 10.931 3.700 0.306 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.040 1.293 0.990 1.00 0.00 C ATOM 0 H VAL A 71 8.592 0.587 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 71 8.556 2.461 0.949 1.00 0.00 H new ATOM 0 HB VAL A 71 10.842 2.022 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.020 3.732 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.559 4.385 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.545 3.997 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.128 1.366 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.656 1.520 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.745 0.282 0.709 1.00 0.00 H new ATOM 1094 N LEU A 72 7.540 4.098 -0.616 1.00 0.00 N ATOM 1095 CA LEU A 72 6.956 5.097 -1.493 1.00 0.00 C ATOM 1096 C LEU A 72 7.902 6.278 -1.650 1.00 0.00 C ATOM 1097 O LEU A 72 7.817 7.269 -0.924 1.00 0.00 O ATOM 1098 CB LEU A 72 5.600 5.564 -0.957 1.00 0.00 C ATOM 1099 CG LEU A 72 4.550 4.463 -0.802 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.274 5.028 -0.200 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.260 3.801 -2.142 1.00 0.00 C ATOM 0 H LEU A 72 7.240 4.162 0.357 1.00 0.00 H new ATOM 0 HA LEU A 72 6.797 4.645 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.754 6.037 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.206 6.329 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 72 4.946 3.705 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.537 4.232 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.491 5.452 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.878 5.806 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.510 3.021 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.886 4.547 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.176 3.360 -2.536 1.00 0.00 H new ATOM 1113 N THR A 73 8.828 6.138 -2.579 1.00 0.00 N ATOM 1114 CA THR A 73 9.785 7.183 -2.892 1.00 0.00 C ATOM 1115 C THR A 73 9.245 8.108 -3.975 1.00 0.00 C ATOM 1116 O THR A 73 9.913 9.046 -4.414 1.00 0.00 O ATOM 1117 CB THR A 73 11.090 6.559 -3.377 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.813 5.310 -4.023 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.058 6.346 -2.226 1.00 0.00 C ATOM 0 H THR A 73 8.939 5.293 -3.140 1.00 0.00 H new ATOM 0 HA THR A 73 9.962 7.764 -1.987 1.00 0.00 H new ATOM 0 HB THR A 73 11.557 7.243 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.651 4.910 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.979 5.900 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.284 7.304 -1.758 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.607 5.680 -1.490 1.00 0.00 H new ATOM 1127 N SER A 74 8.038 7.798 -4.396 1.00 0.00 N ATOM 1128 CA SER A 74 7.338 8.519 -5.448 1.00 0.00 C ATOM 1129 C SER A 74 7.333 10.029 -5.221 1.00 0.00 C ATOM 1130 O SER A 74 7.056 10.508 -4.117 1.00 0.00 O ATOM 1131 CB SER A 74 5.898 8.013 -5.527 1.00 0.00 C ATOM 1132 OG SER A 74 5.859 6.596 -5.541 1.00 0.00 O ATOM 0 H SER A 74 7.500 7.021 -4.011 1.00 0.00 H new ATOM 0 HA SER A 74 7.867 8.334 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.330 8.388 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.420 8.403 -6.426 1.00 0.00 H new ATOM 0 HG SER A 74 6.751 6.246 -5.745 1.00 0.00 H new ATOM 1138 N GLY A 75 7.657 10.767 -6.276 1.00 0.00 N ATOM 1139 CA GLY A 75 7.523 12.200 -6.258 1.00 0.00 C ATOM 1140 C GLY A 75 6.069 12.586 -6.200 1.00 0.00 C ATOM 1141 O GLY A 75 5.365 12.566 -7.210 1.00 0.00 O ATOM 0 H GLY A 75 8.014 10.386 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.050 12.611 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.985 12.627 -7.148 1.00 0.00 H new ATOM 1145 N GLN A 76 5.620 12.883 -5.003 1.00 0.00 N ATOM 1146 CA GLN A 76 4.229 13.206 -4.741 1.00 0.00 C ATOM 1147 C GLN A 76 3.871 14.575 -5.303 1.00 0.00 C ATOM 1148 O GLN A 76 3.798 15.579 -4.592 1.00 0.00 O ATOM 1149 CB GLN A 76 3.934 13.129 -3.244 1.00 0.00 C ATOM 1150 CG GLN A 76 2.476 13.367 -2.889 1.00 0.00 C ATOM 1151 CD GLN A 76 2.185 13.120 -1.423 1.00 0.00 C ATOM 1152 OE1 GLN A 76 2.306 14.022 -0.593 1.00 0.00 O ATOM 1153 NE2 GLN A 76 1.796 11.896 -1.095 1.00 0.00 N ATOM 0 H GLN A 76 6.212 12.909 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 76 3.606 12.469 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.232 12.147 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.549 13.864 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.207 14.393 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.847 12.715 -3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.709 11.179 -1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.584 11.672 -0.123 1.00 0.00 H new ATOM 1162 N THR A 77 3.726 14.593 -6.607 1.00 0.00 N ATOM 1163 CA THR A 77 3.250 15.764 -7.333 1.00 0.00 C ATOM 1164 C THR A 77 1.721 15.865 -7.242 1.00 0.00 C ATOM 1165 O THR A 77 1.133 16.894 -7.578 1.00 0.00 O ATOM 1166 CB THR A 77 3.693 15.695 -8.809 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.088 15.372 -8.878 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.446 17.017 -9.522 1.00 0.00 C ATOM 0 H THR A 77 3.934 13.794 -7.205 1.00 0.00 H new ATOM 0 HA THR A 77 3.685 16.654 -6.878 1.00 0.00 H new ATOM 0 HB THR A 77 3.105 14.922 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.367 15.327 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.769 16.936 -10.560 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.383 17.255 -9.490 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.010 17.808 -9.027 1.00 0.00 H new ATOM 1176 N GLU A 78 1.097 14.769 -6.801 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.344 14.705 -6.536 1.00 0.00 C ATOM 1178 C GLU A 78 -1.168 14.684 -7.822 1.00 0.00 C ATOM 1179 O GLU A 78 -1.746 13.660 -8.177 1.00 0.00 O ATOM 1180 CB GLU A 78 -0.789 15.866 -5.635 1.00 0.00 C ATOM 1181 CG GLU A 78 -2.289 15.923 -5.397 1.00 0.00 C ATOM 1182 CD GLU A 78 -2.684 17.039 -4.451 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -2.924 18.172 -4.915 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -2.761 16.787 -3.231 1.00 0.00 O ATOM 0 H GLU A 78 1.583 13.892 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.527 13.765 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.282 15.782 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.467 16.805 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.800 16.061 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.626 14.970 -4.990 1.00 0.00 H new ATOM 1191 N ASN A 79 -1.200 15.811 -8.513 1.00 0.00 N ATOM 1192 CA ASN A 79 -2.051 15.993 -9.678 1.00 0.00 C ATOM 1193 C ASN A 79 -1.696 15.022 -10.803 1.00 0.00 C ATOM 1194 O ASN A 79 -2.518 14.211 -11.224 1.00 0.00 O ATOM 1195 CB ASN A 79 -1.929 17.433 -10.171 1.00 0.00 C ATOM 1196 CG ASN A 79 -2.876 17.735 -11.304 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -2.533 17.593 -12.478 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -4.080 18.146 -10.957 1.00 0.00 N ATOM 0 H ASN A 79 -0.635 16.628 -8.282 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.079 15.784 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.127 18.115 -9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.906 17.617 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.772 18.361 -11.675 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.319 18.249 -9.971 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.462 15.105 -11.266 1.00 0.00 N ATOM 1206 CA LYS A 80 -0.004 14.311 -12.399 1.00 0.00 C ATOM 1207 C LYS A 80 1.028 13.286 -11.944 1.00 0.00 C ATOM 1208 O LYS A 80 2.190 13.309 -12.353 1.00 0.00 O ATOM 1209 CB LYS A 80 0.574 15.240 -13.462 1.00 0.00 C ATOM 1210 CG LYS A 80 1.528 16.256 -12.878 1.00 0.00 C ATOM 1211 CD LYS A 80 1.890 17.330 -13.889 1.00 0.00 C ATOM 1212 CE LYS A 80 2.739 18.425 -13.259 1.00 0.00 C ATOM 1213 NZ LYS A 80 2.986 19.546 -14.201 1.00 0.00 N ATOM 0 H LYS A 80 0.250 15.720 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.844 13.766 -12.829 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.094 14.648 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.239 15.758 -13.970 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.075 16.719 -12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.434 15.753 -12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.433 16.880 -14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.980 17.765 -14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.239 18.804 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.692 18.005 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.568 20.270 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.485 19.190 -15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.078 19.964 -14.489 1.00 0.00 H new ATOM 1227 N ILE A 81 0.577 12.417 -11.058 1.00 0.00 N ATOM 1228 CA ILE A 81 1.401 11.348 -10.497 1.00 0.00 C ATOM 1229 C ILE A 81 2.146 10.548 -11.567 1.00 0.00 C ATOM 1230 O ILE A 81 1.543 9.988 -12.489 1.00 0.00 O ATOM 1231 CB ILE A 81 0.561 10.369 -9.651 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.663 9.899 -10.443 1.00 0.00 C ATOM 1233 CG2 ILE A 81 0.139 11.025 -8.343 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.420 8.766 -9.787 1.00 0.00 C ATOM 0 H ILE A 81 -0.378 12.429 -10.701 1.00 0.00 H new ATOM 0 HA ILE A 81 2.134 11.851 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 81 1.172 9.498 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.339 10.742 -10.582 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.342 9.582 -11.435 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.453 10.321 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.025 11.312 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.458 11.912 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.272 8.490 -10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.760 7.906 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.774 9.084 -8.806 1.00 0.00 H new ATOM 1246 N HIS A 82 3.463 10.516 -11.434 1.00 0.00 N ATOM 1247 CA HIS A 82 4.310 9.694 -12.280 1.00 0.00 C ATOM 1248 C HIS A 82 5.528 9.262 -11.473 1.00 0.00 C ATOM 1249 O HIS A 82 6.672 9.379 -11.918 1.00 0.00 O ATOM 1250 CB HIS A 82 4.732 10.467 -13.538 1.00 0.00 C ATOM 1251 CG HIS A 82 5.356 9.604 -14.594 1.00 0.00 C ATOM 1252 ND1 HIS A 82 6.646 9.780 -15.051 1.00 0.00 N ATOM 1253 CD2 HIS A 82 4.854 8.556 -15.289 1.00 0.00 C ATOM 1254 CE1 HIS A 82 6.908 8.879 -15.980 1.00 0.00 C ATOM 1255 NE2 HIS A 82 5.839 8.124 -16.142 1.00 0.00 N ATOM 0 H HIS A 82 3.973 11.059 -10.737 1.00 0.00 H new ATOM 0 HA HIS A 82 3.759 8.813 -12.609 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.858 10.965 -13.958 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.438 11.247 -13.255 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.863 8.138 -15.191 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.840 8.778 -16.516 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.757 7.345 -16.795 1.00 0.00 H new ATOM 1264 N GLY A 83 5.264 8.768 -10.271 1.00 0.00 N ATOM 1265 CA GLY A 83 6.330 8.407 -9.361 1.00 0.00 C ATOM 1266 C GLY A 83 6.542 6.911 -9.277 1.00 0.00 C ATOM 1267 O GLY A 83 5.700 6.130 -9.726 1.00 0.00 O ATOM 0 H GLY A 83 4.323 8.610 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.255 8.884 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.102 8.794 -8.368 1.00 0.00 H new ATOM 1271 N THR A 84 7.665 6.518 -8.698 1.00 0.00 N ATOM 1272 CA THR A 84 8.020 5.118 -8.569 1.00 0.00 C ATOM 1273 C THR A 84 8.011 4.687 -7.105 1.00 0.00 C ATOM 1274 O THR A 84 8.194 5.507 -6.205 1.00 0.00 O ATOM 1275 CB THR A 84 9.419 4.858 -9.162 1.00 0.00 C ATOM 1276 OG1 THR A 84 10.350 5.825 -8.654 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.395 4.926 -10.683 1.00 0.00 C ATOM 0 H THR A 84 8.353 7.160 -8.306 1.00 0.00 H new ATOM 0 HA THR A 84 7.278 4.537 -9.117 1.00 0.00 H new ATOM 0 HB THR A 84 9.729 3.855 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.238 5.655 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.396 4.738 -11.071 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.709 4.173 -11.070 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.063 5.915 -10.998 1.00 0.00 H new ATOM 1285 N ALA A 85 7.778 3.408 -6.873 1.00 0.00 N ATOM 1286 CA ALA A 85 7.855 2.840 -5.538 1.00 0.00 C ATOM 1287 C ALA A 85 8.892 1.732 -5.529 1.00 0.00 C ATOM 1288 O ALA A 85 8.915 0.893 -6.435 1.00 0.00 O ATOM 1289 CB ALA A 85 6.500 2.310 -5.098 1.00 0.00 C ATOM 0 H ALA A 85 7.531 2.736 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 85 8.150 3.617 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.582 1.889 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.775 3.124 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.170 1.536 -5.790 1.00 0.00 H new ATOM 1295 N ASP A 86 9.745 1.724 -4.523 1.00 0.00 N ATOM 1296 CA ASP A 86 10.829 0.760 -4.464 1.00 0.00 C ATOM 1297 C ASP A 86 10.462 -0.350 -3.505 1.00 0.00 C ATOM 1298 O ASP A 86 10.280 -0.122 -2.308 1.00 0.00 O ATOM 1299 CB ASP A 86 12.117 1.444 -4.029 1.00 0.00 C ATOM 1300 CG ASP A 86 13.354 0.758 -4.563 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.769 1.082 -5.698 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.929 -0.097 -3.860 1.00 0.00 O ATOM 0 H ASP A 86 9.710 2.372 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 86 10.990 0.333 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.106 2.479 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.161 1.467 -2.940 1.00 0.00 H new ATOM 1307 N ILE A 87 10.319 -1.543 -4.038 1.00 0.00 N ATOM 1308 CA ILE A 87 9.794 -2.649 -3.256 1.00 0.00 C ATOM 1309 C ILE A 87 10.818 -3.764 -3.090 1.00 0.00 C ATOM 1310 O ILE A 87 11.683 -3.964 -3.948 1.00 0.00 O ATOM 1311 CB ILE A 87 8.506 -3.214 -3.889 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.777 -3.743 -5.300 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.428 -2.138 -3.920 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.552 -4.323 -5.976 1.00 0.00 C ATOM 0 H ILE A 87 10.556 -1.775 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 87 9.560 -2.252 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 87 8.157 -4.048 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.171 -2.933 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.551 -4.509 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.521 -2.544 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.214 -1.808 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.777 -1.291 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.819 -4.678 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.170 -5.155 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.784 -3.554 -6.059 1.00 0.00 H new ATOM 1326 N TYR A 88 10.686 -4.505 -1.997 1.00 0.00 N ATOM 1327 CA TYR A 88 11.615 -5.572 -1.659 1.00 0.00 C ATOM 1328 C TYR A 88 10.873 -6.816 -1.203 1.00 0.00 C ATOM 1329 O TYR A 88 9.758 -6.749 -0.685 1.00 0.00 O ATOM 1330 CB TYR A 88 12.590 -5.120 -0.567 1.00 0.00 C ATOM 1331 CG TYR A 88 13.862 -4.497 -1.103 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.826 -3.365 -1.905 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.103 -5.043 -0.804 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.984 -2.798 -2.392 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.267 -4.480 -1.290 1.00 0.00 C ATOM 1336 CZ TYR A 88 16.201 -3.359 -2.084 1.00 0.00 C ATOM 1337 OH TYR A 88 17.356 -2.794 -2.569 1.00 0.00 O ATOM 0 H TYR A 88 9.932 -4.382 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 88 12.181 -5.813 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.088 -4.400 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.850 -5.978 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.873 -2.920 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.159 -5.923 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.936 -1.916 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.224 -4.918 -1.048 1.00 0.00 H new ATOM 0 HH TYR A 88 18.129 -3.311 -2.258 1.00 0.00 H new ATOM 1347 N LYS A 89 11.506 -7.942 -1.422 1.00 0.00 N ATOM 1348 CA LYS A 89 10.996 -9.231 -1.013 1.00 0.00 C ATOM 1349 C LYS A 89 12.002 -9.841 -0.057 1.00 0.00 C ATOM 1350 O LYS A 89 13.197 -9.731 -0.295 1.00 0.00 O ATOM 1351 CB LYS A 89 10.824 -10.112 -2.254 1.00 0.00 C ATOM 1352 CG LYS A 89 10.326 -11.514 -1.964 1.00 0.00 C ATOM 1353 CD LYS A 89 8.910 -11.494 -1.414 1.00 0.00 C ATOM 1354 CE LYS A 89 8.449 -12.877 -0.989 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.134 -12.827 -0.297 1.00 0.00 N ATOM 0 H LYS A 89 12.407 -7.991 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 89 10.029 -9.139 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.126 -9.626 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.781 -10.179 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.355 -12.109 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.990 -11.997 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.861 -10.817 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.232 -11.102 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.376 -13.522 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.192 -13.322 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.182 -13.383 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.899 -11.840 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.400 -13.223 -0.918 1.00 0.00 H new ATOM 1369 N LYS A 90 11.558 -10.456 1.029 1.00 0.00 N ATOM 1370 CA LYS A 90 12.503 -11.006 1.978 1.00 0.00 C ATOM 1371 C LYS A 90 13.219 -12.211 1.385 1.00 0.00 C ATOM 1372 O LYS A 90 12.799 -12.767 0.372 1.00 0.00 O ATOM 1373 CB LYS A 90 11.828 -11.376 3.296 1.00 0.00 C ATOM 1374 CG LYS A 90 10.854 -12.529 3.197 1.00 0.00 C ATOM 1375 CD LYS A 90 10.167 -12.785 4.530 1.00 0.00 C ATOM 1376 CE LYS A 90 8.885 -13.582 4.360 1.00 0.00 C ATOM 1377 NZ LYS A 90 7.802 -12.757 3.757 1.00 0.00 N ATOM 0 H LYS A 90 10.575 -10.583 1.268 1.00 0.00 H new ATOM 0 HA LYS A 90 13.241 -10.233 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.597 -11.628 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.300 -10.502 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.106 -12.312 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.382 -13.428 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.845 -13.324 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.942 -11.833 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.076 -14.450 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.559 -13.959 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.919 -13.306 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.661 -11.899 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.068 -12.489 2.788 1.00 0.00 H new ATOM 1391 N LYS A 91 14.301 -12.600 2.024 1.00 0.00 N ATOM 1392 CA LYS A 91 15.136 -13.677 1.520 1.00 0.00 C ATOM 1393 C LYS A 91 14.604 -15.033 1.968 1.00 0.00 C ATOM 1394 O LYS A 91 13.608 -15.118 2.689 1.00 0.00 O ATOM 1395 CB LYS A 91 16.586 -13.500 1.977 1.00 0.00 C ATOM 1396 CG LYS A 91 17.369 -12.455 1.190 1.00 0.00 C ATOM 1397 CD LYS A 91 18.785 -12.324 1.733 1.00 0.00 C ATOM 1398 CE LYS A 91 19.798 -11.998 0.645 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.892 -10.541 0.372 1.00 0.00 N ATOM 0 H LYS A 91 14.627 -12.187 2.898 1.00 0.00 H new ATOM 0 HA LYS A 91 15.109 -13.639 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.591 -13.223 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.099 -14.458 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.402 -12.735 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.861 -11.492 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.809 -11.543 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.070 -13.255 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.778 -12.373 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.522 -12.519 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.607 -10.371 -0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.969 -10.189 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.166 -10.042 1.242 1.00 0.00 H new ATOM 1413 N LEU A 92 15.280 -16.091 1.542 1.00 0.00 N ATOM 1414 CA LEU A 92 14.846 -17.451 1.841 1.00 0.00 C ATOM 1415 C LEU A 92 15.451 -17.943 3.144 1.00 0.00 C ATOM 1416 O LEU A 92 15.235 -19.089 3.539 1.00 0.00 O ATOM 1417 CB LEU A 92 15.237 -18.385 0.698 1.00 0.00 C ATOM 1418 CG LEU A 92 14.738 -17.945 -0.676 1.00 0.00 C ATOM 1419 CD1 LEU A 92 15.272 -18.867 -1.755 1.00 0.00 C ATOM 1420 CD2 LEU A 92 13.218 -17.909 -0.714 1.00 0.00 C ATOM 0 H LEU A 92 16.134 -16.035 0.987 1.00 0.00 H new ATOM 0 HA LEU A 92 13.761 -17.447 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.324 -18.466 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.849 -19.381 0.910 1.00 0.00 H new ATOM 0 HG LEU A 92 15.108 -16.937 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.906 -18.539 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.362 -18.841 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.932 -19.885 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.886 -17.593 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.825 -18.903 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.852 -17.205 0.034 1.00 0.00 H new ATOM 1432 N GLU A 93 16.224 -17.069 3.792 1.00 0.00 N ATOM 1433 CA GLU A 93 16.822 -17.351 5.099 1.00 0.00 C ATOM 1434 C GLU A 93 17.920 -18.419 4.993 1.00 0.00 C ATOM 1435 O GLU A 93 18.013 -19.125 3.986 1.00 0.00 O ATOM 1436 CB GLU A 93 15.733 -17.799 6.089 1.00 0.00 C ATOM 1437 CG GLU A 93 16.209 -17.938 7.523 1.00 0.00 C ATOM 1438 CD GLU A 93 15.274 -18.780 8.360 1.00 0.00 C ATOM 1439 OE1 GLU A 93 15.387 -20.020 8.300 1.00 0.00 O ATOM 1440 OE2 GLU A 93 14.441 -18.210 9.094 1.00 0.00 O ATOM 0 H GLU A 93 16.453 -16.145 3.425 1.00 0.00 H new ATOM 0 HA GLU A 93 17.285 -16.435 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.914 -17.081 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.330 -18.756 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.203 -18.386 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.301 -16.948 7.970 1.00 0.00 H new