USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 564 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 72 ASN : amide:sc= -2.9 K(o=-6.6,f=-4.1) USER MOD Set 1.2: A 73 ASN : amide:sc= -3.73 K(o=-6.6,f=-4.1) USER MOD Single : A 33 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.066) USER MOD Single : A 42 ASN : amide:sc= -2! K(o=-2!,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.95 K(o=0.95,f=-2) USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= 0.216 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -106:sc= 1.02 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 85 CYS SG : rot -133:sc= -1.99 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-3.9) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.079 X(o=-0.079,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.453 -9.199 5.830 1.00 0.00 N ATOM 368 CA LEU A 29 8.625 -7.979 6.611 1.00 0.00 C ATOM 369 C LEU A 29 9.117 -8.297 8.019 1.00 0.00 C ATOM 370 O LEU A 29 8.531 -7.858 9.009 1.00 0.00 O ATOM 371 CB LEU A 29 7.308 -7.202 6.679 1.00 0.00 C ATOM 372 CG LEU A 29 7.010 -6.324 5.462 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.593 -5.779 5.532 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.017 -5.188 5.368 1.00 0.00 C ATOM 0 HA LEU A 29 9.376 -7.364 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.491 -7.912 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.321 -6.572 7.568 1.00 0.00 H new ATOM 0 HG LEU A 29 7.097 -6.936 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.399 -5.157 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.885 -6.608 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.477 -5.181 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.791 -4.573 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.961 -4.577 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.022 -5.599 5.271 1.00 0.00 H new ATOM 386 N PHE A 30 10.199 -9.064 8.102 1.00 0.00 N ATOM 387 CA PHE A 30 10.771 -9.443 9.388 1.00 0.00 C ATOM 388 C PHE A 30 11.913 -8.508 9.774 1.00 0.00 C ATOM 389 O PHE A 30 12.199 -8.316 10.956 1.00 0.00 O ATOM 390 CB PHE A 30 11.271 -10.887 9.341 1.00 0.00 C ATOM 391 CG PHE A 30 11.543 -11.473 10.697 1.00 0.00 C ATOM 392 CD1 PHE A 30 10.501 -11.916 11.496 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.840 -11.582 11.173 1.00 0.00 C ATOM 394 CE1 PHE A 30 10.747 -12.455 12.744 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.093 -12.120 12.420 1.00 0.00 C ATOM 396 CZ PHE A 30 12.044 -12.558 13.206 1.00 0.00 C ATOM 0 H PHE A 30 10.697 -9.435 7.293 1.00 0.00 H new ATOM 0 HA PHE A 30 9.989 -9.361 10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.531 -11.503 8.830 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.184 -10.928 8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.485 -11.839 11.139 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.663 -11.242 10.562 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.926 -12.795 13.357 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.108 -12.198 12.780 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.239 -12.980 14.181 1.00 0.00 H new ATOM 406 N ASP A 31 12.563 -7.926 8.769 1.00 0.00 N ATOM 407 CA ASP A 31 13.673 -7.010 9.005 1.00 0.00 C ATOM 408 C ASP A 31 13.204 -5.559 8.942 1.00 0.00 C ATOM 409 O ASP A 31 13.964 -4.667 8.565 1.00 0.00 O ATOM 410 CB ASP A 31 14.782 -7.245 7.978 1.00 0.00 C ATOM 411 CG ASP A 31 15.645 -8.441 8.325 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.097 -8.532 9.487 1.00 0.00 O ATOM 413 OD2 ASP A 31 15.872 -9.289 7.435 1.00 0.00 O ATOM 0 H ASP A 31 12.340 -8.073 7.785 1.00 0.00 H new ATOM 0 HA ASP A 31 14.065 -7.203 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.337 -7.394 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.408 -6.355 7.913 1.00 0.00 H new ATOM 418 N PHE A 32 11.948 -5.330 9.312 1.00 0.00 N ATOM 419 CA PHE A 32 11.379 -3.987 9.298 1.00 0.00 C ATOM 420 C PHE A 32 10.767 -3.640 10.652 1.00 0.00 C ATOM 421 O PHE A 32 9.712 -4.158 11.018 1.00 0.00 O ATOM 422 CB PHE A 32 10.318 -3.872 8.201 1.00 0.00 C ATOM 423 CG PHE A 32 10.854 -3.349 6.899 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.065 -1.991 6.717 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.146 -4.215 5.857 1.00 0.00 C ATOM 426 CE1 PHE A 32 11.558 -1.508 5.520 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.638 -3.737 4.658 1.00 0.00 C ATOM 428 CZ PHE A 32 11.845 -2.381 4.489 1.00 0.00 C ATOM 0 H PHE A 32 11.305 -6.057 9.625 1.00 0.00 H new ATOM 0 HA PHE A 32 12.183 -3.281 9.092 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.873 -4.853 8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.520 -3.215 8.546 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.842 -1.303 7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.987 -5.276 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.719 -0.448 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.861 -4.422 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.230 -2.005 3.553 1.00 0.00 H new ATOM 438 N HIS A 33 11.437 -2.760 11.390 1.00 0.00 N ATOM 439 CA HIS A 33 10.959 -2.344 12.703 1.00 0.00 C ATOM 440 C HIS A 33 9.862 -1.292 12.574 1.00 0.00 C ATOM 441 O HIS A 33 9.899 -0.449 11.677 1.00 0.00 O ATOM 442 CB HIS A 33 12.115 -1.792 13.538 1.00 0.00 C ATOM 443 CG HIS A 33 12.917 -2.854 14.224 1.00 0.00 C ATOM 444 ND1 HIS A 33 14.117 -2.619 14.860 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.670 -4.181 14.369 1.00 0.00 C ATOM 446 CE1 HIS A 33 14.552 -3.784 15.359 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.710 -4.763 15.089 1.00 0.00 N ATOM 0 H HIS A 33 12.312 -2.322 11.101 1.00 0.00 H new ATOM 0 HA HIS A 33 10.543 -3.218 13.204 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.774 -1.211 12.893 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.717 -1.108 14.287 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.805 -4.702 13.987 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.472 -3.906 15.911 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.802 -5.744 15.353 1.00 0.00 H new ATOM 455 N ILE A 34 8.887 -1.348 13.474 1.00 0.00 N ATOM 456 CA ILE A 34 7.780 -0.400 13.461 1.00 0.00 C ATOM 457 C ILE A 34 8.218 0.964 13.982 1.00 0.00 C ATOM 458 O ILE A 34 8.865 1.063 15.024 1.00 0.00 O ATOM 459 CB ILE A 34 6.597 -0.906 14.310 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.256 -2.350 13.941 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.386 -0.005 14.122 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.760 -2.511 12.520 1.00 0.00 C ATOM 0 H ILE A 34 8.841 -2.040 14.222 1.00 0.00 H new ATOM 0 HA ILE A 34 7.459 -0.303 12.424 1.00 0.00 H new ATOM 0 HB ILE A 34 6.886 -0.879 15.361 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.141 -2.971 14.081 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.495 -2.722 14.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.559 -0.376 14.728 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.636 1.010 14.431 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.094 -0.003 13.072 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.538 -3.561 12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.856 -1.918 12.381 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.528 -2.171 11.826 1.00 0.00 H new ATOM 474 N GLY A 35 7.861 2.014 13.250 1.00 0.00 N ATOM 475 CA GLY A 35 8.227 3.359 13.653 1.00 0.00 C ATOM 476 C GLY A 35 9.270 3.976 12.742 1.00 0.00 C ATOM 477 O GLY A 35 9.327 5.195 12.589 1.00 0.00 O ATOM 0 H GLY A 35 7.324 1.957 12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.337 3.988 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.608 3.338 14.674 1.00 0.00 H new ATOM 481 N ASP A 36 10.096 3.130 12.136 1.00 0.00 N ATOM 482 CA ASP A 36 11.143 3.597 11.234 1.00 0.00 C ATOM 483 C ASP A 36 10.554 4.028 9.894 1.00 0.00 C ATOM 484 O ASP A 36 9.481 3.571 9.501 1.00 0.00 O ATOM 485 CB ASP A 36 12.187 2.500 11.017 1.00 0.00 C ATOM 486 CG ASP A 36 13.450 3.026 10.363 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.856 4.162 10.685 1.00 0.00 O ATOM 488 OD2 ASP A 36 14.031 2.302 9.528 1.00 0.00 O ATOM 0 H ASP A 36 10.061 2.117 12.253 1.00 0.00 H new ATOM 0 HA ASP A 36 11.625 4.460 11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.439 2.047 11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.760 1.713 10.395 1.00 0.00 H new ATOM 493 N ARG A 37 11.264 4.910 9.198 1.00 0.00 N ATOM 494 CA ARG A 37 10.812 5.402 7.902 1.00 0.00 C ATOM 495 C ARG A 37 10.833 4.288 6.860 1.00 0.00 C ATOM 496 O ARG A 37 11.709 3.423 6.880 1.00 0.00 O ATOM 497 CB ARG A 37 11.690 6.566 7.440 1.00 0.00 C ATOM 498 CG ARG A 37 11.439 7.856 8.203 1.00 0.00 C ATOM 499 CD ARG A 37 12.541 8.874 7.953 1.00 0.00 C ATOM 500 NE ARG A 37 12.813 9.688 9.136 1.00 0.00 N ATOM 501 CZ ARG A 37 13.929 10.390 9.313 1.00 0.00 C ATOM 502 NH1 ARG A 37 14.880 10.382 8.387 1.00 0.00 N ATOM 503 NH2 ARG A 37 14.096 11.104 10.418 1.00 0.00 N ATOM 0 H ARG A 37 12.154 5.298 9.510 1.00 0.00 H new ATOM 0 HA ARG A 37 9.786 5.752 8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.738 6.286 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.517 6.742 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.479 8.276 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.375 7.642 9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.452 8.356 7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.255 9.522 7.125 1.00 0.00 H new ATOM 0 HE ARG A 37 12.105 9.720 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.757 9.836 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.734 10.922 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.368 11.115 11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.952 11.642 10.553 1.00 0.00 H new ATOM 517 N VAL A 38 9.866 4.316 5.950 1.00 0.00 N ATOM 518 CA VAL A 38 9.775 3.309 4.900 1.00 0.00 C ATOM 519 C VAL A 38 9.218 3.906 3.612 1.00 0.00 C ATOM 520 O VAL A 38 8.259 4.678 3.637 1.00 0.00 O ATOM 521 CB VAL A 38 8.885 2.128 5.330 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.573 1.307 6.410 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.531 2.627 5.810 1.00 0.00 C ATOM 0 H VAL A 38 9.134 5.025 5.918 1.00 0.00 H new ATOM 0 HA VAL A 38 10.787 2.946 4.722 1.00 0.00 H new ATOM 0 HB VAL A 38 8.723 1.485 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.929 0.477 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.516 0.918 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.767 1.937 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.916 1.779 6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.670 3.293 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.036 3.167 5.003 1.00 0.00 H new ATOM 533 N LEU A 39 9.825 3.541 2.487 1.00 0.00 N ATOM 534 CA LEU A 39 9.390 4.041 1.188 1.00 0.00 C ATOM 535 C LEU A 39 8.604 2.974 0.431 1.00 0.00 C ATOM 536 O LEU A 39 9.120 1.891 0.150 1.00 0.00 O ATOM 537 CB LEU A 39 10.596 4.486 0.358 1.00 0.00 C ATOM 538 CG LEU A 39 10.306 5.574 -0.676 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.642 6.774 -0.017 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.587 5.993 -1.381 1.00 0.00 C ATOM 0 H LEU A 39 10.619 2.901 2.449 1.00 0.00 H new ATOM 0 HA LEU A 39 8.738 4.898 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.370 4.847 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.004 3.616 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 39 9.620 5.168 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.443 7.538 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.703 6.464 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.303 7.181 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.362 6.768 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.295 6.380 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.023 5.131 -1.887 1.00 0.00 H new ATOM 552 N ILE A 40 7.354 3.285 0.107 1.00 0.00 N ATOM 553 CA ILE A 40 6.498 2.351 -0.615 1.00 0.00 C ATOM 554 C ILE A 40 6.748 2.424 -2.118 1.00 0.00 C ATOM 555 O ILE A 40 6.486 3.445 -2.752 1.00 0.00 O ATOM 556 CB ILE A 40 5.007 2.629 -0.341 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.758 2.759 1.162 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.145 1.523 -0.933 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.334 3.141 1.507 1.00 0.00 C ATOM 0 H ILE A 40 6.911 4.176 0.333 1.00 0.00 H new ATOM 0 HA ILE A 40 6.747 1.352 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 40 4.734 3.570 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.999 1.812 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.436 3.508 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.095 1.733 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.305 1.474 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.417 0.569 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.229 3.215 2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.095 4.102 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.651 2.381 1.128 1.00 0.00 H new ATOM 571 N GLY A 41 7.256 1.332 -2.680 1.00 0.00 N ATOM 572 CA GLY A 41 7.534 1.291 -4.105 1.00 0.00 C ATOM 573 C GLY A 41 8.473 2.396 -4.551 1.00 0.00 C ATOM 574 O GLY A 41 8.506 2.751 -5.730 1.00 0.00 O ATOM 0 H GLY A 41 7.480 0.475 -2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.971 0.325 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.597 1.372 -4.656 1.00 0.00 H new ATOM 578 N ASN A 42 9.237 2.943 -3.610 1.00 0.00 N ATOM 579 CA ASN A 42 10.179 4.013 -3.915 1.00 0.00 C ATOM 580 C ASN A 42 9.469 5.196 -4.571 1.00 0.00 C ATOM 581 O ASN A 42 9.756 5.550 -5.714 1.00 0.00 O ATOM 582 CB ASN A 42 11.290 3.496 -4.831 1.00 0.00 C ATOM 583 CG ASN A 42 12.158 2.453 -4.155 1.00 0.00 C ATOM 584 OD1 ASN A 42 12.327 1.345 -4.663 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.714 2.804 -3.000 1.00 0.00 N ATOM 0 H ASN A 42 9.222 2.662 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 42 10.619 4.354 -2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.846 3.068 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.913 4.332 -5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.308 2.144 -2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.547 3.734 -2.615 1.00 0.00 H new ATOM 592 N VAL A 43 8.541 5.803 -3.838 1.00 0.00 N ATOM 593 CA VAL A 43 7.791 6.944 -4.348 1.00 0.00 C ATOM 594 C VAL A 43 6.879 7.528 -3.273 1.00 0.00 C ATOM 595 O VAL A 43 6.749 8.745 -3.148 1.00 0.00 O ATOM 596 CB VAL A 43 6.943 6.554 -5.576 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.923 5.488 -5.209 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.257 7.779 -6.164 1.00 0.00 C ATOM 0 H VAL A 43 8.291 5.524 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 43 8.521 7.697 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 43 7.608 6.139 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.336 5.228 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.440 4.601 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.261 5.870 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.664 7.483 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.606 8.227 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.010 8.505 -6.471 1.00 0.00 H new ATOM 608 N GLN A 44 6.248 6.650 -2.499 1.00 0.00 N ATOM 609 CA GLN A 44 5.347 7.077 -1.434 1.00 0.00 C ATOM 610 C GLN A 44 6.047 7.027 -0.076 1.00 0.00 C ATOM 611 O GLN A 44 6.167 5.960 0.527 1.00 0.00 O ATOM 612 CB GLN A 44 4.099 6.194 -1.410 1.00 0.00 C ATOM 613 CG GLN A 44 2.929 6.772 -2.190 1.00 0.00 C ATOM 614 CD GLN A 44 1.601 6.560 -1.491 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.448 5.635 -0.693 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.632 7.418 -1.789 1.00 0.00 N ATOM 0 H GLN A 44 6.344 5.639 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 44 5.051 8.107 -1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.349 5.215 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.794 6.039 -0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.090 7.839 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.893 6.312 -3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.804 8.170 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.284 7.325 -1.350 1.00 0.00 H new ATOM 625 N PRO A 45 6.518 8.183 0.427 1.00 0.00 N ATOM 626 CA PRO A 45 7.205 8.256 1.720 1.00 0.00 C ATOM 627 C PRO A 45 6.249 8.070 2.893 1.00 0.00 C ATOM 628 O PRO A 45 5.112 8.542 2.861 1.00 0.00 O ATOM 629 CB PRO A 45 7.793 9.668 1.729 1.00 0.00 C ATOM 630 CG PRO A 45 6.892 10.456 0.844 1.00 0.00 C ATOM 631 CD PRO A 45 6.420 9.505 -0.222 1.00 0.00 C ATOM 0 HA PRO A 45 7.950 7.469 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.818 10.081 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.818 9.673 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.050 10.861 1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.419 11.303 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.399 9.725 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.043 9.561 -1.114 1.00 0.00 H new ATOM 639 N GLY A 46 6.718 7.382 3.928 1.00 0.00 N ATOM 640 CA GLY A 46 5.890 7.146 5.097 1.00 0.00 C ATOM 641 C GLY A 46 6.592 6.308 6.146 1.00 0.00 C ATOM 642 O GLY A 46 7.721 5.863 5.942 1.00 0.00 O ATOM 0 H GLY A 46 7.656 6.984 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.602 8.102 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.971 6.645 4.792 1.00 0.00 H new ATOM 646 N ILE A 47 5.921 6.092 7.273 1.00 0.00 N ATOM 647 CA ILE A 47 6.485 5.301 8.359 1.00 0.00 C ATOM 648 C ILE A 47 5.731 3.987 8.530 1.00 0.00 C ATOM 649 O ILE A 47 4.509 3.938 8.389 1.00 0.00 O ATOM 650 CB ILE A 47 6.455 6.073 9.692 1.00 0.00 C ATOM 651 CG1 ILE A 47 7.012 7.485 9.502 1.00 0.00 C ATOM 652 CG2 ILE A 47 7.244 5.324 10.757 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.941 8.530 9.271 1.00 0.00 C ATOM 0 H ILE A 47 4.985 6.454 7.457 1.00 0.00 H new ATOM 0 HA ILE A 47 7.521 5.092 8.092 1.00 0.00 H new ATOM 0 HB ILE A 47 5.420 6.153 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.593 7.760 10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.698 7.486 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.213 5.882 11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.805 4.338 10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.279 5.215 10.434 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.407 9.507 9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.375 8.279 8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.268 8.557 10.128 1.00 0.00 H new ATOM 665 N LEU A 48 6.468 2.922 8.835 1.00 0.00 N ATOM 666 CA LEU A 48 5.867 1.607 9.025 1.00 0.00 C ATOM 667 C LEU A 48 5.138 1.533 10.361 1.00 0.00 C ATOM 668 O LEU A 48 5.759 1.588 11.422 1.00 0.00 O ATOM 669 CB LEU A 48 6.938 0.518 8.953 1.00 0.00 C ATOM 670 CG LEU A 48 6.404 -0.914 8.928 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.768 -1.223 7.581 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.518 -1.904 9.233 1.00 0.00 C ATOM 0 H LEU A 48 7.481 2.945 8.955 1.00 0.00 H new ATOM 0 HA LEU A 48 5.143 1.446 8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.540 0.681 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.603 0.627 9.810 1.00 0.00 H new ATOM 0 HG LEU A 48 5.639 -1.010 9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.394 -2.247 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.942 -0.535 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.512 -1.109 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.119 -2.918 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.306 -1.807 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.928 -1.697 10.221 1.00 0.00 H new ATOM 684 N ARG A 49 3.816 1.407 10.302 1.00 0.00 N ATOM 685 CA ARG A 49 3.002 1.326 11.509 1.00 0.00 C ATOM 686 C ARG A 49 2.492 -0.095 11.731 1.00 0.00 C ATOM 687 O ARG A 49 2.281 -0.518 12.867 1.00 0.00 O ATOM 688 CB ARG A 49 1.822 2.297 11.419 1.00 0.00 C ATOM 689 CG ARG A 49 2.230 3.759 11.492 1.00 0.00 C ATOM 690 CD ARG A 49 2.729 4.131 12.879 1.00 0.00 C ATOM 691 NE ARG A 49 1.631 4.349 13.818 1.00 0.00 N ATOM 692 CZ ARG A 49 1.769 4.327 15.141 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.957 4.098 15.686 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.717 4.536 15.921 1.00 0.00 N ATOM 0 H ARG A 49 3.286 1.359 9.432 1.00 0.00 H new ATOM 0 HA ARG A 49 3.628 1.602 12.357 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.290 2.123 10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.123 2.083 12.228 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.011 3.957 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.380 4.388 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.376 3.339 13.256 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.336 5.034 12.815 1.00 0.00 H new ATOM 0 HE ARG A 49 0.702 4.529 13.436 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.769 3.938 15.090 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.058 4.082 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.198 4.714 15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.823 4.519 16.935 1.00 0.00 H new ATOM 708 N PHE A 50 2.295 -0.825 10.639 1.00 0.00 N ATOM 709 CA PHE A 50 1.809 -2.199 10.717 1.00 0.00 C ATOM 710 C PHE A 50 2.519 -3.087 9.700 1.00 0.00 C ATOM 711 O PHE A 50 3.131 -2.595 8.752 1.00 0.00 O ATOM 712 CB PHE A 50 0.297 -2.239 10.480 1.00 0.00 C ATOM 713 CG PHE A 50 -0.294 -3.613 10.617 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.265 -4.275 11.834 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.880 -4.241 9.530 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.809 -5.539 11.964 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.426 -5.504 9.653 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.390 -6.154 10.871 1.00 0.00 C ATOM 0 H PHE A 50 2.464 -0.490 9.691 1.00 0.00 H new ATOM 0 HA PHE A 50 2.025 -2.579 11.715 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.192 -1.570 11.188 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.083 -1.858 9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.188 -3.798 12.691 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.910 -3.737 8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.780 -6.045 12.918 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.880 -5.982 8.798 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.815 -7.142 10.969 1.00 0.00 H new ATOM 728 N LYS A 51 2.432 -4.397 9.904 1.00 0.00 N ATOM 729 CA LYS A 51 3.065 -5.356 9.005 1.00 0.00 C ATOM 730 C LYS A 51 2.753 -6.787 9.431 1.00 0.00 C ATOM 731 O LYS A 51 3.311 -7.290 10.406 1.00 0.00 O ATOM 732 CB LYS A 51 4.579 -5.140 8.977 1.00 0.00 C ATOM 733 CG LYS A 51 5.206 -5.051 10.360 1.00 0.00 C ATOM 734 CD LYS A 51 6.444 -5.926 10.471 1.00 0.00 C ATOM 735 CE LYS A 51 7.124 -5.760 11.821 1.00 0.00 C ATOM 736 NZ LYS A 51 8.304 -6.656 11.962 1.00 0.00 N ATOM 0 H LYS A 51 1.929 -4.820 10.684 1.00 0.00 H new ATOM 0 HA LYS A 51 2.664 -5.197 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.044 -5.959 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.797 -4.224 8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.471 -4.016 10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.477 -5.355 11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.167 -6.970 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.144 -5.670 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.438 -4.724 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.409 -5.973 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.224 -7.199 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.341 -7.311 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.173 -6.085 11.984 1.00 0.00 H new ATOM 750 N GLY A 52 1.859 -7.437 8.694 1.00 0.00 N ATOM 751 CA GLY A 52 1.491 -8.805 9.012 1.00 0.00 C ATOM 752 C GLY A 52 0.270 -9.271 8.245 1.00 0.00 C ATOM 753 O GLY A 52 -0.278 -8.533 7.426 1.00 0.00 O ATOM 0 H GLY A 52 1.383 -7.042 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.330 -9.465 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.297 -8.886 10.082 1.00 0.00 H new ATOM 757 N GLU A 53 -0.157 -10.502 8.511 1.00 0.00 N ATOM 758 CA GLU A 53 -1.322 -11.069 7.840 1.00 0.00 C ATOM 759 C GLU A 53 -2.610 -10.438 8.359 1.00 0.00 C ATOM 760 O GLU A 53 -2.807 -10.310 9.567 1.00 0.00 O ATOM 761 CB GLU A 53 -1.364 -12.584 8.045 1.00 0.00 C ATOM 762 CG GLU A 53 -0.361 -13.340 7.189 1.00 0.00 C ATOM 763 CD GLU A 53 0.395 -14.396 7.972 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.905 -14.071 9.066 1.00 0.00 O ATOM 765 OE2 GLU A 53 0.479 -15.546 7.492 1.00 0.00 O ATOM 0 H GLU A 53 0.286 -11.125 9.186 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.238 -10.854 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.174 -12.806 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.367 -12.945 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.883 -13.814 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.349 -12.634 6.759 1.00 0.00 H new ATOM 772 N THR A 54 -3.483 -10.048 7.437 1.00 0.00 N ATOM 773 CA THR A 54 -4.754 -9.433 7.800 1.00 0.00 C ATOM 774 C THR A 54 -5.879 -10.462 7.782 1.00 0.00 C ATOM 775 O THR A 54 -5.647 -11.646 7.540 1.00 0.00 O ATOM 776 CB THR A 54 -5.081 -8.285 6.844 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.146 -8.750 5.508 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.068 -7.161 6.890 1.00 0.00 C ATOM 0 H THR A 54 -3.334 -10.147 6.433 1.00 0.00 H new ATOM 0 HA THR A 54 -4.663 -9.038 8.812 1.00 0.00 H new ATOM 0 HB THR A 54 -6.044 -7.898 7.175 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.350 -8.454 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.360 -6.379 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.029 -6.748 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.085 -7.545 6.617 1.00 0.00 H new ATOM 786 N SER A 55 -7.100 -10.003 8.037 1.00 0.00 N ATOM 787 CA SER A 55 -8.261 -10.885 8.048 1.00 0.00 C ATOM 788 C SER A 55 -9.051 -10.760 6.750 1.00 0.00 C ATOM 789 O SER A 55 -9.648 -11.729 6.279 1.00 0.00 O ATOM 790 CB SER A 55 -9.162 -10.561 9.240 1.00 0.00 C ATOM 791 OG SER A 55 -9.889 -11.704 9.656 1.00 0.00 O ATOM 0 H SER A 55 -7.311 -9.026 8.239 1.00 0.00 H new ATOM 0 HA SER A 55 -7.906 -11.911 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.557 -10.190 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.855 -9.764 8.970 1.00 0.00 H new ATOM 0 HG SER A 55 -10.456 -11.471 10.420 1.00 0.00 H new ATOM 797 N PHE A 56 -9.050 -9.563 6.175 1.00 0.00 N ATOM 798 CA PHE A 56 -9.767 -9.312 4.930 1.00 0.00 C ATOM 799 C PHE A 56 -9.050 -9.958 3.749 1.00 0.00 C ATOM 800 O PHE A 56 -9.682 -10.377 2.779 1.00 0.00 O ATOM 801 CB PHE A 56 -9.911 -7.807 4.694 1.00 0.00 C ATOM 802 CG PHE A 56 -8.599 -7.100 4.504 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.920 -7.182 3.298 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.043 -6.354 5.531 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.714 -6.532 3.120 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.837 -5.702 5.358 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.171 -5.791 4.152 1.00 0.00 C ATOM 0 H PHE A 56 -8.561 -8.751 6.551 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.759 -9.755 5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.533 -7.644 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.434 -7.363 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.339 -7.761 2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.558 -6.281 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.196 -6.603 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.415 -5.123 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.228 -5.283 4.016 1.00 0.00 H new ATOM 817 N ALA A 57 -7.726 -10.035 3.837 1.00 0.00 N ATOM 818 CA ALA A 57 -6.923 -10.630 2.776 1.00 0.00 C ATOM 819 C ALA A 57 -5.791 -11.474 3.352 1.00 0.00 C ATOM 820 O ALA A 57 -5.527 -11.439 4.554 1.00 0.00 O ATOM 821 CB ALA A 57 -6.364 -9.545 1.867 1.00 0.00 C ATOM 0 H ALA A 57 -7.187 -9.693 4.632 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.568 -11.285 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.766 -10.003 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.186 -8.985 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.739 -8.868 2.450 1.00 0.00 H new ATOM 827 N LYS A 58 -5.126 -12.233 2.486 1.00 0.00 N ATOM 828 CA LYS A 58 -4.023 -13.086 2.909 1.00 0.00 C ATOM 829 C LYS A 58 -2.679 -12.456 2.557 1.00 0.00 C ATOM 830 O LYS A 58 -2.603 -11.570 1.705 1.00 0.00 O ATOM 831 CB LYS A 58 -4.139 -14.465 2.257 1.00 0.00 C ATOM 832 CG LYS A 58 -4.112 -14.424 0.737 1.00 0.00 C ATOM 833 CD LYS A 58 -2.800 -14.958 0.184 1.00 0.00 C ATOM 834 CE LYS A 58 -2.374 -14.205 -1.066 1.00 0.00 C ATOM 835 NZ LYS A 58 -2.892 -14.848 -2.305 1.00 0.00 N ATOM 0 H LYS A 58 -5.332 -12.274 1.488 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.078 -13.197 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.322 -15.094 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.067 -14.935 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.940 -15.013 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.260 -13.399 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.023 -14.873 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.906 -16.018 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.735 -13.178 -1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.286 -14.159 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.580 -14.304 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.527 -15.820 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.931 -14.870 -2.276 1.00 0.00 H new ATOM 849 N GLY A 59 -1.623 -12.920 3.216 1.00 0.00 N ATOM 850 CA GLY A 59 -0.297 -12.391 2.958 1.00 0.00 C ATOM 851 C GLY A 59 0.044 -11.214 3.852 1.00 0.00 C ATOM 852 O GLY A 59 -0.825 -10.677 4.539 1.00 0.00 O ATOM 0 H GLY A 59 -1.662 -13.653 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.440 -13.180 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.229 -12.082 1.915 1.00 0.00 H new ATOM 856 N PHE A 60 1.311 -10.814 3.844 1.00 0.00 N ATOM 857 CA PHE A 60 1.765 -9.695 4.659 1.00 0.00 C ATOM 858 C PHE A 60 1.190 -8.379 4.145 1.00 0.00 C ATOM 859 O PHE A 60 1.064 -8.175 2.938 1.00 0.00 O ATOM 860 CB PHE A 60 3.294 -9.631 4.669 1.00 0.00 C ATOM 861 CG PHE A 60 3.910 -10.203 5.914 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.919 -11.572 6.132 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.480 -9.372 6.866 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.485 -12.101 7.277 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.047 -9.896 8.012 1.00 0.00 C ATOM 866 CZ PHE A 60 5.051 -11.262 8.218 1.00 0.00 C ATOM 0 H PHE A 60 2.042 -11.249 3.281 1.00 0.00 H new ATOM 0 HA PHE A 60 1.410 -9.851 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.678 -10.170 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.607 -8.592 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.479 -12.232 5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.481 -8.303 6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.485 -13.169 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.487 -9.238 8.747 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.495 -11.673 9.112 1.00 0.00 H new ATOM 876 N TRP A 61 0.844 -7.490 5.070 1.00 0.00 N ATOM 877 CA TRP A 61 0.282 -6.192 4.713 1.00 0.00 C ATOM 878 C TRP A 61 0.844 -5.093 5.608 1.00 0.00 C ATOM 879 O TRP A 61 0.448 -4.960 6.766 1.00 0.00 O ATOM 880 CB TRP A 61 -1.243 -6.226 4.821 1.00 0.00 C ATOM 881 CG TRP A 61 -1.900 -6.995 3.716 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.500 -8.217 3.813 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.024 -6.593 2.348 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.990 -8.600 2.587 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.709 -7.620 1.671 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.622 -5.464 1.628 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.001 -7.551 0.311 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.911 -5.396 0.278 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.596 -6.434 -0.368 1.00 0.00 C ATOM 0 H TRP A 61 0.943 -7.645 6.073 1.00 0.00 H new ATOM 0 HA TRP A 61 0.560 -5.974 3.682 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.522 -6.668 5.777 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.623 -5.204 4.819 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.578 -8.798 4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.482 -9.471 2.391 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.095 -4.659 2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.528 -8.350 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.604 -4.529 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.809 -6.351 -1.424 1.00 0.00 H new ATOM 900 N ALA A 62 1.769 -4.310 5.065 1.00 0.00 N ATOM 901 CA ALA A 62 2.386 -3.224 5.816 1.00 0.00 C ATOM 902 C ALA A 62 1.523 -1.967 5.777 1.00 0.00 C ATOM 903 O ALA A 62 1.203 -1.456 4.703 1.00 0.00 O ATOM 904 CB ALA A 62 3.775 -2.929 5.272 1.00 0.00 C ATOM 0 H ALA A 62 2.108 -4.407 4.108 1.00 0.00 H new ATOM 0 HA ALA A 62 2.474 -3.540 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.224 -2.116 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.397 -3.820 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.701 -2.639 4.224 1.00 0.00 H new ATOM 910 N GLY A 63 1.152 -1.472 6.953 1.00 0.00 N ATOM 911 CA GLY A 63 0.333 -0.278 7.029 1.00 0.00 C ATOM 912 C GLY A 63 1.160 0.981 7.190 1.00 0.00 C ATOM 913 O GLY A 63 1.343 1.475 8.302 1.00 0.00 O ATOM 0 H GLY A 63 1.404 -1.877 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.273 -0.198 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.356 -0.366 7.869 1.00 0.00 H new ATOM 917 N VAL A 64 1.662 1.499 6.075 1.00 0.00 N ATOM 918 CA VAL A 64 2.477 2.708 6.093 1.00 0.00 C ATOM 919 C VAL A 64 1.617 3.948 6.314 1.00 0.00 C ATOM 920 O VAL A 64 0.517 4.057 5.771 1.00 0.00 O ATOM 921 CB VAL A 64 3.267 2.873 4.782 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.268 4.012 4.900 1.00 0.00 C ATOM 923 CG2 VAL A 64 3.968 1.574 4.414 1.00 0.00 C ATOM 0 H VAL A 64 1.519 1.101 5.147 1.00 0.00 H new ATOM 0 HA VAL A 64 3.179 2.603 6.921 1.00 0.00 H new ATOM 0 HB VAL A 64 2.565 3.119 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.817 4.113 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.739 4.941 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.967 3.800 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.521 1.710 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.658 1.295 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.227 0.785 4.283 1.00 0.00 H new ATOM 933 N GLU A 65 2.127 4.880 7.111 1.00 0.00 N ATOM 934 CA GLU A 65 1.408 6.114 7.403 1.00 0.00 C ATOM 935 C GLU A 65 2.053 7.299 6.692 1.00 0.00 C ATOM 936 O GLU A 65 3.059 7.839 7.152 1.00 0.00 O ATOM 937 CB GLU A 65 1.376 6.365 8.912 1.00 0.00 C ATOM 938 CG GLU A 65 0.391 7.445 9.328 1.00 0.00 C ATOM 939 CD GLU A 65 0.950 8.366 10.395 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.317 7.865 11.478 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.022 9.588 10.147 1.00 0.00 O ATOM 0 H GLU A 65 3.036 4.804 7.567 1.00 0.00 H new ATOM 0 HA GLU A 65 0.387 6.006 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.120 5.436 9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.374 6.647 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.113 8.034 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.521 6.976 9.699 1.00 0.00 H new ATOM 948 N LEU A 66 1.468 7.698 5.568 1.00 0.00 N ATOM 949 CA LEU A 66 1.986 8.819 4.792 1.00 0.00 C ATOM 950 C LEU A 66 1.954 10.107 5.609 1.00 0.00 C ATOM 951 O LEU A 66 1.051 10.318 6.419 1.00 0.00 O ATOM 952 CB LEU A 66 1.174 8.996 3.508 1.00 0.00 C ATOM 953 CG LEU A 66 0.946 7.715 2.703 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.210 8.024 1.408 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.271 7.024 2.415 1.00 0.00 C ATOM 0 H LEU A 66 0.635 7.262 5.174 1.00 0.00 H new ATOM 0 HA LEU A 66 3.022 8.600 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.204 9.422 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.682 9.721 2.872 1.00 0.00 H new ATOM 0 HG LEU A 66 0.329 7.040 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.056 7.102 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.756 8.475 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.801 8.717 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.090 6.115 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.913 7.693 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.760 6.769 3.355 1.00 0.00 H new ATOM 967 N ASP A 67 2.946 10.964 5.390 1.00 0.00 N ATOM 968 CA ASP A 67 3.032 12.231 6.106 1.00 0.00 C ATOM 969 C ASP A 67 1.977 13.212 5.606 1.00 0.00 C ATOM 970 O ASP A 67 1.480 14.046 6.363 1.00 0.00 O ATOM 971 CB ASP A 67 4.427 12.839 5.943 1.00 0.00 C ATOM 972 CG ASP A 67 5.441 12.214 6.881 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.048 11.796 7.990 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.631 12.144 6.505 1.00 0.00 O ATOM 0 H ASP A 67 3.701 10.804 4.723 1.00 0.00 H new ATOM 0 HA ASP A 67 2.849 12.035 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.760 12.709 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.377 13.912 6.128 1.00 0.00 H new ATOM 979 N LYS A 68 1.638 13.106 4.325 1.00 0.00 N ATOM 980 CA LYS A 68 0.639 13.982 3.722 1.00 0.00 C ATOM 981 C LYS A 68 -0.528 13.175 3.162 1.00 0.00 C ATOM 982 O LYS A 68 -0.369 12.009 2.798 1.00 0.00 O ATOM 983 CB LYS A 68 1.273 14.823 2.611 1.00 0.00 C ATOM 984 CG LYS A 68 2.635 15.393 2.977 1.00 0.00 C ATOM 985 CD LYS A 68 2.722 16.880 2.667 1.00 0.00 C ATOM 986 CE LYS A 68 2.685 17.718 3.935 1.00 0.00 C ATOM 987 NZ LYS A 68 3.615 18.879 3.862 1.00 0.00 N ATOM 0 H LYS A 68 2.040 12.422 3.684 1.00 0.00 H new ATOM 0 HA LYS A 68 0.258 14.645 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.374 14.209 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.601 15.644 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.825 15.230 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.412 14.860 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.643 17.085 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.895 17.166 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.670 18.077 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.949 17.095 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.559 19.424 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.588 18.537 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.348 19.488 3.062 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.722 13.786 3.084 1.00 0.00 N ATOM 1002 CA PRO A 69 -2.920 13.117 2.564 1.00 0.00 C ATOM 1003 C PRO A 69 -2.685 12.497 1.191 1.00 0.00 C ATOM 1004 O PRO A 69 -2.905 13.140 0.163 1.00 0.00 O ATOM 1005 CB PRO A 69 -3.949 14.246 2.472 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.501 15.250 3.478 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.999 15.174 3.496 1.00 0.00 C ATOM 0 HA PRO A 69 -3.233 12.290 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.978 14.675 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.953 13.885 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.838 16.251 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.915 15.029 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.552 15.894 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.598 15.387 4.487 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.238 11.246 1.179 1.00 0.00 N ATOM 1016 CA GLU A 70 -1.974 10.540 -0.069 1.00 0.00 C ATOM 1017 C GLU A 70 -2.315 9.058 0.058 1.00 0.00 C ATOM 1018 O GLU A 70 -1.712 8.214 -0.604 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.506 10.703 -0.469 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.199 12.043 -1.119 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.345 12.006 -2.627 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -1.495 12.051 -3.113 1.00 0.00 O ATOM 1023 OE2 GLU A 70 0.689 11.931 -3.323 1.00 0.00 O ATOM 0 H GLU A 70 -2.051 10.700 2.020 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.607 10.974 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.119 10.586 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.235 9.903 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.867 12.802 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.817 12.342 -0.863 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.285 8.749 0.913 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.688 7.369 1.110 1.00 0.00 C ATOM 1032 C GLY A 71 -5.165 7.151 0.846 1.00 0.00 C ATOM 1033 O GLY A 71 -5.779 7.889 0.075 1.00 0.00 O ATOM 0 H GLY A 71 -3.799 9.430 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.106 6.726 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.457 7.069 2.132 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.736 6.138 1.487 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.151 5.827 1.317 1.00 0.00 C ATOM 1039 C ASN A 72 -7.663 4.972 2.472 1.00 0.00 C ATOM 1040 O ASN A 72 -8.532 4.120 2.288 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.380 5.102 -0.010 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.471 3.899 -0.178 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -6.889 2.759 0.021 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.220 4.150 -0.545 1.00 0.00 N ATOM 0 H ASN A 72 -5.242 5.518 2.129 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.705 6.766 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.419 4.779 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.214 5.797 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.562 3.381 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.917 5.112 -0.699 1.00 0.00 H new ATOM 1051 N ASN A 73 -7.120 5.208 3.662 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.524 4.461 4.848 1.00 0.00 C ATOM 1053 C ASN A 73 -7.206 5.246 6.117 1.00 0.00 C ATOM 1054 O ASN A 73 -6.552 6.287 6.066 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.821 3.103 4.884 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.368 2.141 3.848 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.272 1.354 4.130 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.821 2.199 2.640 1.00 0.00 N ATOM 0 H ASN A 73 -6.400 5.910 3.831 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.601 4.303 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.753 3.245 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.932 2.666 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.148 1.576 1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.074 2.867 2.450 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.677 4.742 7.253 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.443 5.399 8.533 1.00 0.00 C ATOM 1067 C ASN A 74 -6.916 4.412 9.569 1.00 0.00 C ATOM 1068 O ASN A 74 -7.134 4.581 10.769 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.733 6.046 9.040 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.884 5.061 9.114 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.467 4.692 8.094 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.216 4.629 10.325 1.00 0.00 N ATOM 0 H ASN A 74 -8.222 3.882 7.313 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.689 6.172 8.381 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.559 6.472 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.006 6.871 8.381 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.982 3.965 10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.705 4.962 11.143 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.221 3.380 9.099 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.674 2.383 10.001 1.00 0.00 C ATOM 1081 C GLY A 75 -6.583 1.180 10.160 1.00 0.00 C ATOM 1082 O GLY A 75 -6.112 0.057 10.337 1.00 0.00 O ATOM 0 H GLY A 75 -6.027 3.217 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.704 2.054 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.503 2.836 10.977 1.00 0.00 H new ATOM 1086 N THR A 76 -7.890 1.413 10.100 1.00 0.00 N ATOM 1087 CA THR A 76 -8.866 0.340 10.241 1.00 0.00 C ATOM 1088 C THR A 76 -9.381 -0.109 8.877 1.00 0.00 C ATOM 1089 O THR A 76 -10.163 0.593 8.236 1.00 0.00 O ATOM 1090 CB THR A 76 -10.035 0.796 11.115 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.565 1.447 12.282 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.933 -0.340 11.554 1.00 0.00 C ATOM 0 H THR A 76 -8.298 2.337 9.954 1.00 0.00 H new ATOM 0 HA THR A 76 -8.372 -0.505 10.720 1.00 0.00 H new ATOM 0 HB THR A 76 -10.615 1.475 10.490 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.328 1.733 12.827 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.741 0.053 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.352 -0.832 10.677 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.353 -1.060 12.132 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.938 -1.283 8.441 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.356 -1.825 7.154 1.00 0.00 C ATOM 1102 C TYR A 77 -10.500 -2.819 7.328 1.00 0.00 C ATOM 1103 O TYR A 77 -10.320 -3.893 7.902 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.177 -2.505 6.455 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.357 -2.642 4.960 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.177 -3.627 4.427 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.704 -1.784 4.082 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.344 -3.755 3.061 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.867 -1.906 2.715 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.687 -2.893 2.210 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.850 -3.017 0.850 1.00 0.00 O ATOM 0 H TYR A 77 -8.290 -1.877 8.959 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.707 -0.998 6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.270 -1.934 6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.031 -3.495 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.693 -4.305 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.060 -1.011 4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.986 -4.527 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.354 -1.231 2.045 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.319 -2.332 0.393 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.676 -2.452 6.831 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.850 -3.310 6.933 1.00 0.00 C ATOM 1123 C ASP A 78 -13.218 -3.560 8.392 1.00 0.00 C ATOM 1124 O ASP A 78 -13.779 -4.602 8.732 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.598 -4.642 6.221 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.734 -5.027 5.293 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -13.944 -4.317 4.287 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.415 -6.036 5.574 1.00 0.00 O ATOM 0 H ASP A 78 -11.841 -1.566 6.353 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.684 -2.800 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.672 -4.575 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.458 -5.427 6.964 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.898 -2.597 9.252 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.204 -2.733 10.664 1.00 0.00 C ATOM 1135 C GLY A 79 -12.007 -3.184 11.478 1.00 0.00 C ATOM 1136 O GLY A 79 -11.914 -2.896 12.671 1.00 0.00 O ATOM 0 H GLY A 79 -12.433 -1.726 8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.561 -1.778 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.015 -3.450 10.789 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.087 -3.894 10.832 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.890 -4.387 11.503 1.00 0.00 C ATOM 1142 C ILE A 80 -8.885 -3.262 11.729 1.00 0.00 C ATOM 1143 O ILE A 80 -8.260 -2.777 10.788 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.213 -5.509 10.696 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.245 -6.558 10.275 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.099 -6.150 11.509 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.889 -7.274 11.442 1.00 0.00 C ATOM 0 H ILE A 80 -11.148 -4.141 9.844 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.210 -4.786 12.466 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.775 -5.076 9.797 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.022 -6.075 9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.762 -7.292 9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.631 -6.941 10.924 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.353 -5.396 11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.513 -6.572 12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.609 -8.003 11.069 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.122 -7.786 12.023 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.401 -6.550 12.076 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.735 -2.853 12.985 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.806 -1.786 13.335 1.00 0.00 C ATOM 1161 C ALA A 81 -6.369 -2.294 13.356 1.00 0.00 C ATOM 1162 O ALA A 81 -6.117 -3.463 13.651 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.176 -1.186 14.683 1.00 0.00 C ATOM 0 H ALA A 81 -9.245 -3.245 13.777 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.878 -1.010 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.474 -0.390 14.932 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.185 -0.777 14.635 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.134 -1.960 15.450 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.428 -1.410 13.041 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.015 -1.769 13.024 1.00 0.00 C ATOM 1171 C TYR A 82 -3.162 -0.647 13.605 1.00 0.00 C ATOM 1172 O TYR A 82 -2.330 -0.877 14.484 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.565 -2.082 11.596 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.258 -3.281 10.990 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.925 -4.572 11.383 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.245 -3.123 10.027 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.556 -5.670 10.832 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.882 -4.216 9.471 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.534 -5.487 9.878 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.166 -6.579 9.326 1.00 0.00 O ATOM 0 H TYR A 82 -5.619 -0.439 12.794 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.883 -2.657 13.642 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.749 -1.211 10.967 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.489 -2.256 11.593 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.160 -4.719 12.131 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.520 -2.129 9.707 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.285 -6.667 11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.648 -4.076 8.722 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.829 -6.277 8.671 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.373 0.568 13.110 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.622 1.726 13.581 1.00 0.00 C ATOM 1192 C PHE A 83 -3.495 2.977 13.582 1.00 0.00 C ATOM 1193 O PHE A 83 -4.609 2.970 13.059 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.388 1.950 12.706 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.692 1.987 11.236 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.059 0.834 10.561 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.609 3.176 10.528 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.338 0.866 9.208 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.888 3.213 9.176 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.253 2.056 8.515 1.00 0.00 C ATOM 0 H PHE A 83 -4.058 0.776 12.383 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.301 1.529 14.604 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.914 2.888 12.994 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.667 1.156 12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.128 -0.100 11.098 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.323 4.083 11.039 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.622 -0.040 8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.821 4.146 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.471 2.083 7.458 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.980 4.050 14.174 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.712 5.310 14.244 1.00 0.00 C ATOM 1212 C GLU A 84 -3.190 6.302 13.209 1.00 0.00 C ATOM 1213 O GLU A 84 -1.981 6.454 13.034 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.598 5.911 15.646 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.483 7.128 15.859 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.903 8.102 16.866 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.433 7.646 17.930 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.918 9.320 16.592 1.00 0.00 O ATOM 0 H GLU A 84 -2.059 4.072 14.612 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.760 5.105 14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.858 5.149 16.381 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.560 6.190 15.830 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.627 7.639 14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.466 6.803 16.199 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.111 6.975 12.527 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.745 7.954 11.510 1.00 0.00 C ATOM 1227 C CYS A 85 -4.961 8.766 11.074 1.00 0.00 C ATOM 1228 O CYS A 85 -6.047 8.625 11.636 1.00 0.00 O ATOM 1229 CB CYS A 85 -3.123 7.256 10.299 1.00 0.00 C ATOM 1230 SG CYS A 85 -4.242 6.124 9.443 1.00 0.00 S ATOM 0 H CYS A 85 -5.116 6.860 12.660 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.012 8.634 11.944 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.780 8.013 9.594 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.243 6.702 10.625 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.634 4.996 9.225 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.771 9.616 10.070 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.853 10.450 9.559 1.00 0.00 C ATOM 1238 C LYS A 86 -6.869 9.611 8.789 1.00 0.00 C ATOM 1239 O LYS A 86 -6.772 8.385 8.748 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.292 11.551 8.657 1.00 0.00 C ATOM 1241 CG LYS A 86 -5.069 12.872 9.374 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.850 12.814 10.281 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.047 14.103 10.220 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.603 13.873 10.506 1.00 0.00 N ATOM 0 H LYS A 86 -3.878 9.745 9.594 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.359 10.909 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.346 11.214 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.977 11.711 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.941 13.668 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.951 13.121 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.168 12.630 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.217 11.976 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.154 14.551 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.450 14.816 10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.091 14.777 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.498 13.469 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.211 13.212 9.805 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.843 10.281 8.182 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.877 9.597 7.415 1.00 0.00 C ATOM 1260 C GLU A 87 -8.300 8.993 6.137 1.00 0.00 C ATOM 1261 O GLU A 87 -8.709 7.915 5.710 1.00 0.00 O ATOM 1262 CB GLU A 87 -10.011 10.567 7.071 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.397 10.001 7.336 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.503 10.946 6.914 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -12.296 12.176 6.991 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -13.577 10.457 6.503 1.00 0.00 O ATOM 0 H GLU A 87 -7.938 11.296 8.206 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.274 8.788 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.884 11.481 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.935 10.843 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.508 9.057 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.498 9.781 8.399 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.349 9.698 5.531 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.720 9.229 4.301 1.00 0.00 C ATOM 1275 C LYS A 88 -5.210 9.455 4.338 1.00 0.00 C ATOM 1276 O LYS A 88 -4.656 10.167 3.500 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.326 9.942 3.091 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.835 9.786 2.986 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.554 11.099 3.252 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.636 11.953 1.997 1.00 0.00 C ATOM 1281 NZ LYS A 88 -10.701 12.988 2.099 1.00 0.00 N ATOM 0 H LYS A 88 -6.998 10.593 5.871 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.905 8.158 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.082 11.003 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.865 9.554 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.095 9.423 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.174 9.034 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.559 10.896 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.031 11.649 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.675 12.437 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.831 11.315 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.725 13.549 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.622 12.526 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.501 13.613 2.906 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.549 8.840 5.314 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.104 8.970 5.459 1.00 0.00 C ATOM 1297 C HIS A 89 -2.432 7.601 5.424 1.00 0.00 C ATOM 1298 O HIS A 89 -1.399 7.420 4.780 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.762 9.687 6.766 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.506 11.153 6.595 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.347 11.782 6.992 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.290 12.120 6.052 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.460 13.082 6.687 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.620 13.338 6.115 1.00 0.00 N ATOM 0 H HIS A 89 -4.991 8.247 6.016 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.731 9.561 4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.581 9.549 7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.880 9.221 7.206 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.545 11.337 7.439 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.276 11.968 5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.700 13.823 6.884 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.028 6.641 6.123 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.476 5.299 6.160 1.00 0.00 C ATOM 1314 C GLY A 90 -2.865 4.482 4.943 1.00 0.00 C ATOM 1315 O GLY A 90 -3.992 4.576 4.459 1.00 0.00 O ATOM 0 H GLY A 90 -3.883 6.768 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.389 5.357 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.821 4.791 7.061 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.930 3.679 4.448 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.182 2.843 3.280 1.00 0.00 C ATOM 1321 C ILE A 91 -1.512 1.481 3.424 1.00 0.00 C ATOM 1322 O ILE A 91 -0.309 1.392 3.667 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.684 3.522 1.987 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.044 2.675 0.764 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.181 3.756 2.054 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.109 3.469 -0.523 1.00 0.00 C ATOM 0 H ILE A 91 -0.991 3.589 4.837 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.261 2.704 3.214 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.178 4.489 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.307 1.879 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.008 2.196 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.154 4.236 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.050 4.399 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.331 2.801 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.369 2.805 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.866 4.248 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.139 3.926 -0.718 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.300 0.421 3.273 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.784 -0.937 3.387 1.00 0.00 C ATOM 1340 C PHE A 92 -1.139 -1.386 2.080 1.00 0.00 C ATOM 1341 O PHE A 92 -1.815 -1.540 1.063 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.908 -1.902 3.770 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.628 -1.516 5.030 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.655 -0.586 4.999 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.278 -2.081 6.244 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -5.320 -0.228 6.156 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.939 -1.727 7.406 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.961 -0.800 7.361 1.00 0.00 C ATOM 0 H PHE A 92 -3.298 0.477 3.071 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.024 -0.945 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.626 -1.953 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.492 -2.902 3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.939 -0.136 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.479 -2.807 6.284 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.119 0.498 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.656 -2.175 8.347 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.479 -0.522 8.267 1.00 0.00 H new ATOM 1358 N ALA A 93 0.174 -1.595 2.115 1.00 0.00 N ATOM 1359 CA ALA A 93 0.910 -2.027 0.934 1.00 0.00 C ATOM 1360 C ALA A 93 1.646 -3.340 1.199 1.00 0.00 C ATOM 1361 O ALA A 93 2.146 -3.567 2.300 1.00 0.00 O ATOM 1362 CB ALA A 93 1.892 -0.948 0.502 1.00 0.00 C ATOM 0 H ALA A 93 0.749 -1.472 2.949 1.00 0.00 H new ATOM 0 HA ALA A 93 0.195 -2.196 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.436 -1.283 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.348 -0.033 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.597 -0.753 1.310 1.00 0.00 H new ATOM 1368 N PRO A 94 1.722 -4.224 0.189 1.00 0.00 N ATOM 1369 CA PRO A 94 2.402 -5.516 0.324 1.00 0.00 C ATOM 1370 C PRO A 94 3.835 -5.365 0.829 1.00 0.00 C ATOM 1371 O PRO A 94 4.404 -4.274 0.784 1.00 0.00 O ATOM 1372 CB PRO A 94 2.394 -6.079 -1.099 1.00 0.00 C ATOM 1373 CG PRO A 94 1.243 -5.410 -1.766 1.00 0.00 C ATOM 1374 CD PRO A 94 1.155 -4.038 -1.160 1.00 0.00 C ATOM 0 HA PRO A 94 1.908 -6.160 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.330 -5.864 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.274 -7.162 -1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.396 -5.352 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.320 -5.968 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.721 -3.307 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.125 -3.682 -1.118 1.00 0.00 H new ATOM 1382 N PRO A 95 4.440 -6.462 1.314 1.00 0.00 N ATOM 1383 CA PRO A 95 5.815 -6.445 1.826 1.00 0.00 C ATOM 1384 C PRO A 95 6.825 -6.058 0.752 1.00 0.00 C ATOM 1385 O PRO A 95 7.773 -5.318 1.014 1.00 0.00 O ATOM 1386 CB PRO A 95 6.050 -7.889 2.288 1.00 0.00 C ATOM 1387 CG PRO A 95 5.028 -8.699 1.567 1.00 0.00 C ATOM 1388 CD PRO A 95 3.836 -7.802 1.401 1.00 0.00 C ATOM 0 HA PRO A 95 5.943 -5.708 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.059 -8.221 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.935 -7.981 3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.404 -9.032 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.768 -9.594 2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.268 -8.048 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.150 -7.882 2.244 1.00 0.00 H new ATOM 1396 N GLN A 96 6.614 -6.563 -0.460 1.00 0.00 N ATOM 1397 CA GLN A 96 7.506 -6.269 -1.577 1.00 0.00 C ATOM 1398 C GLN A 96 7.606 -4.765 -1.817 1.00 0.00 C ATOM 1399 O GLN A 96 8.614 -4.274 -2.324 1.00 0.00 O ATOM 1400 CB GLN A 96 7.013 -6.967 -2.846 1.00 0.00 C ATOM 1401 CG GLN A 96 5.569 -6.649 -3.194 1.00 0.00 C ATOM 1402 CD GLN A 96 5.167 -7.179 -4.557 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.942 -7.121 -5.511 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.948 -7.698 -4.655 1.00 0.00 N ATOM 0 H GLN A 96 5.834 -7.177 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 96 8.498 -6.643 -1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.651 -6.678 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.119 -8.045 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.914 -7.076 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.423 -5.569 -3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.338 -7.726 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.622 -8.069 -5.547 1.00 0.00 H new ATOM 1413 N LYS A 97 6.555 -4.039 -1.447 1.00 0.00 N ATOM 1414 CA LYS A 97 6.527 -2.591 -1.622 1.00 0.00 C ATOM 1415 C LYS A 97 6.922 -1.879 -0.332 1.00 0.00 C ATOM 1416 O LYS A 97 6.367 -0.834 0.006 1.00 0.00 O ATOM 1417 CB LYS A 97 5.134 -2.136 -2.063 1.00 0.00 C ATOM 1418 CG LYS A 97 4.629 -2.843 -3.310 1.00 0.00 C ATOM 1419 CD LYS A 97 3.947 -1.876 -4.263 1.00 0.00 C ATOM 1420 CE LYS A 97 3.037 -2.603 -5.238 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.065 -1.984 -6.592 1.00 0.00 N ATOM 0 H LYS A 97 5.713 -4.429 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 97 7.249 -2.330 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.430 -2.307 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.153 -1.062 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.463 -3.327 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.929 -3.629 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.366 -1.151 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.701 -1.316 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.342 -3.647 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.016 -2.595 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.431 -2.510 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.749 -0.995 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.034 -2.014 -6.968 1.00 0.00 H new ATOM 1435 N ILE A 98 7.884 -2.451 0.385 1.00 0.00 N ATOM 1436 CA ILE A 98 8.352 -1.869 1.637 1.00 0.00 C ATOM 1437 C ILE A 98 9.869 -1.714 1.639 1.00 0.00 C ATOM 1438 O ILE A 98 10.603 -2.687 1.810 1.00 0.00 O ATOM 1439 CB ILE A 98 7.935 -2.725 2.847 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.447 -3.071 2.768 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.248 -1.997 4.146 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.543 -1.859 2.814 1.00 0.00 C ATOM 0 H ILE A 98 8.354 -3.317 0.120 1.00 0.00 H new ATOM 0 HA ILE A 98 7.888 -0.886 1.719 1.00 0.00 H new ATOM 0 HB ILE A 98 8.505 -3.654 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.258 -3.621 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.192 -3.736 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.947 -2.616 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.318 -1.800 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.703 -1.053 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.503 -2.179 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.704 -1.321 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.770 -1.203 1.974 1.00 0.00 H new ATOM 1454 N SER A 99 10.333 -0.483 1.447 1.00 0.00 N ATOM 1455 CA SER A 99 11.763 -0.199 1.427 1.00 0.00 C ATOM 1456 C SER A 99 12.120 0.865 2.460 1.00 0.00 C ATOM 1457 O SER A 99 11.251 1.372 3.169 1.00 0.00 O ATOM 1458 CB SER A 99 12.194 0.262 0.033 1.00 0.00 C ATOM 1459 OG SER A 99 12.358 -0.842 -0.840 1.00 0.00 O ATOM 0 H SER A 99 9.739 0.334 1.303 1.00 0.00 H new ATOM 0 HA SER A 99 12.294 -1.117 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.448 0.945 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.130 0.817 0.103 1.00 0.00 H new ATOM 0 HG SER A 99 12.632 -0.522 -1.725 1.00 0.00 H new ATOM 1465 N HIS A 100 13.404 1.199 2.539 1.00 0.00 N ATOM 1466 CA HIS A 100 13.876 2.203 3.485 1.00 0.00 C ATOM 1467 C HIS A 100 14.067 3.550 2.798 1.00 0.00 C ATOM 1468 O HIS A 100 14.718 3.641 1.757 1.00 0.00 O ATOM 1469 CB HIS A 100 15.189 1.753 4.125 1.00 0.00 C ATOM 1470 CG HIS A 100 15.023 0.641 5.116 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.100 -0.695 4.790 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.779 0.688 6.450 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.904 -1.402 5.911 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.705 -0.609 6.947 1.00 0.00 N ATOM 0 H HIS A 100 14.136 0.789 1.959 1.00 0.00 H new ATOM 0 HA HIS A 100 13.121 2.316 4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.874 1.430 3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.652 2.605 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.661 1.589 7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.908 -2.481 5.960 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.533 -0.889 7.912 1.00 0.00 H new ATOM 1482 N ILE A 101 13.495 4.596 3.386 1.00 0.00 N ATOM 1483 CA ILE A 101 13.603 5.939 2.829 1.00 0.00 C ATOM 1484 C ILE A 101 15.038 6.458 2.926 1.00 0.00 C ATOM 1485 O ILE A 101 15.598 6.550 4.018 1.00 0.00 O ATOM 1486 CB ILE A 101 12.663 6.924 3.553 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.243 6.359 3.609 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.675 8.276 2.856 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.254 7.276 4.296 1.00 0.00 C ATOM 0 H ILE A 101 12.952 4.539 4.248 1.00 0.00 H new ATOM 0 HA ILE A 101 13.311 5.874 1.781 1.00 0.00 H new ATOM 0 HB ILE A 101 13.019 7.061 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.899 6.162 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.262 5.402 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.007 8.961 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.687 8.680 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.340 8.157 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.268 6.811 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.575 7.453 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.206 8.225 3.762 1.00 0.00 H new ATOM 1501 N PRO A 102 15.657 6.805 1.781 1.00 0.00 N ATOM 1502 CA PRO A 102 17.033 7.314 1.754 1.00 0.00 C ATOM 1503 C PRO A 102 17.217 8.535 2.648 1.00 0.00 C ATOM 1504 O PRO A 102 16.357 8.851 3.470 1.00 0.00 O ATOM 1505 CB PRO A 102 17.250 7.692 0.286 1.00 0.00 C ATOM 1506 CG PRO A 102 16.264 6.872 -0.471 1.00 0.00 C ATOM 1507 CD PRO A 102 15.071 6.728 0.431 1.00 0.00 C ATOM 0 HA PRO A 102 17.744 6.576 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.085 8.757 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.270 7.475 -0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.989 7.357 -1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.680 5.898 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.342 7.520 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.556 5.781 0.269 1.00 0.00 H new