USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= -0.366 K(o=-1.5,f=-2.2) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.13 K(o=-1.5,f=-2.2!) USER MOD Set 2.1: A 72 CYS SG : rot 160:sc= 0.02 USER MOD Set 2.2: A 93 THR OG1 : rot 130:sc= 0.0201 USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -0.0535 F(o=-3.5,f=0.031) USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 87 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0438) USER MOD Single : A 37 HIS : no HE2:sc= -0.964 K(o=-0.96,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.134 (180deg=-0.667) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -16:sc= 0.643 USER MOD Single : A 67 THR OG1 : rot -70:sc= -0.913 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 34:sc= 0.0751 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -0:sc= 0.122 USER MOD Single : A 89 SER OG : rot 180:sc= -0.436 USER MOD Single : A 90 TYR OH : rot 165:sc= 0.333 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -13:sc= 0.511 USER MOD Single : A 112 SER OG : rot -120:sc= -0.13 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -178:sc= -0.116 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.137 19.412 -0.188 1.00 0.00 N ATOM 363 CA PRO A 29 2.440 18.137 -0.382 1.00 0.00 C ATOM 364 C PRO A 29 0.954 18.233 -0.053 1.00 0.00 C ATOM 365 O PRO A 29 0.576 18.427 1.102 1.00 0.00 O ATOM 366 CB PRO A 29 3.145 17.195 0.597 1.00 0.00 C ATOM 367 CG PRO A 29 3.694 18.089 1.654 1.00 0.00 C ATOM 368 CD PRO A 29 4.054 19.375 0.963 1.00 0.00 C ATOM 0 HA PRO A 29 2.480 17.804 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.450 16.467 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.937 16.632 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.959 18.261 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.568 17.642 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.913 20.236 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.097 19.383 0.646 1.00 0.00 H new ATOM 376 N ASP A 30 0.116 18.094 -1.075 1.00 0.00 N ATOM 377 CA ASP A 30 -1.329 18.163 -0.893 1.00 0.00 C ATOM 378 C ASP A 30 -1.956 16.776 -0.989 1.00 0.00 C ATOM 379 O ASP A 30 -2.349 16.319 -2.063 1.00 0.00 O ATOM 380 CB ASP A 30 -1.952 19.091 -1.937 1.00 0.00 C ATOM 381 CG ASP A 30 -1.985 20.537 -1.481 1.00 0.00 C ATOM 382 OD1 ASP A 30 -2.954 20.920 -0.792 1.00 0.00 O ATOM 383 OD2 ASP A 30 -1.041 21.284 -1.811 1.00 0.00 O ATOM 0 H ASP A 30 0.413 17.933 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.526 18.563 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.387 19.019 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.967 18.759 -2.155 1.00 0.00 H new ATOM 388 N PRO A 31 -2.051 16.088 0.158 1.00 0.00 N ATOM 389 CA PRO A 31 -2.629 14.743 0.229 1.00 0.00 C ATOM 390 C PRO A 31 -4.135 14.745 -0.009 1.00 0.00 C ATOM 391 O PRO A 31 -4.716 13.726 -0.381 1.00 0.00 O ATOM 392 CB PRO A 31 -2.314 14.297 1.659 1.00 0.00 C ATOM 393 CG PRO A 31 -2.180 15.564 2.431 1.00 0.00 C ATOM 394 CD PRO A 31 -1.603 16.571 1.475 1.00 0.00 C ATOM 0 HA PRO A 31 -2.222 14.084 -0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.109 13.670 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.396 13.711 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.147 15.895 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.529 15.428 3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.971 17.576 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.516 16.610 1.540 1.00 0.00 H new ATOM 402 N SER A 32 -4.762 15.897 0.208 1.00 0.00 N ATOM 403 CA SER A 32 -6.202 16.031 0.021 1.00 0.00 C ATOM 404 C SER A 32 -6.562 16.000 -1.462 1.00 0.00 C ATOM 405 O SER A 32 -7.736 16.034 -1.829 1.00 0.00 O ATOM 406 CB SER A 32 -6.701 17.332 0.652 1.00 0.00 C ATOM 407 OG SER A 32 -7.029 17.144 2.017 1.00 0.00 O ATOM 0 H SER A 32 -4.295 16.751 0.513 1.00 0.00 H new ATOM 0 HA SER A 32 -6.688 15.188 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.934 18.101 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.577 17.690 0.110 1.00 0.00 H new ATOM 0 HG SER A 32 -7.344 17.991 2.397 1.00 0.00 H new ATOM 413 N LYS A 33 -5.541 15.937 -2.310 1.00 0.00 N ATOM 414 CA LYS A 33 -5.747 15.901 -3.754 1.00 0.00 C ATOM 415 C LYS A 33 -5.524 14.494 -4.300 1.00 0.00 C ATOM 416 O LYS A 33 -6.077 14.126 -5.336 1.00 0.00 O ATOM 417 CB LYS A 33 -4.803 16.885 -4.449 1.00 0.00 C ATOM 418 CG LYS A 33 -5.027 18.332 -4.045 1.00 0.00 C ATOM 419 CD LYS A 33 -6.057 19.006 -4.936 1.00 0.00 C ATOM 420 CE LYS A 33 -7.471 18.775 -4.427 1.00 0.00 C ATOM 421 NZ LYS A 33 -8.403 19.847 -4.873 1.00 0.00 N ATOM 0 H LYS A 33 -4.563 15.910 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.778 16.191 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.773 16.609 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.928 16.794 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.359 18.374 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.084 18.876 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.856 20.076 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.968 18.622 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.832 17.810 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.462 18.731 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.356 19.653 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.073 20.765 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.431 19.872 -5.912 1.00 0.00 H new ATOM 435 N VAL A 34 -4.713 13.712 -3.595 1.00 0.00 N ATOM 436 CA VAL A 34 -4.420 12.345 -4.008 1.00 0.00 C ATOM 437 C VAL A 34 -5.699 11.525 -4.140 1.00 0.00 C ATOM 438 O VAL A 34 -6.306 11.135 -3.142 1.00 0.00 O ATOM 439 CB VAL A 34 -3.477 11.647 -3.010 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.330 10.173 -3.355 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.121 12.336 -2.989 1.00 0.00 C ATOM 0 H VAL A 34 -4.247 14.002 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.929 12.406 -4.979 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.912 11.720 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.660 9.697 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.307 9.691 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.918 10.074 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.467 11.830 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.677 12.296 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.246 13.377 -2.690 1.00 0.00 H new ATOM 451 N LYS A 35 -6.103 11.266 -5.378 1.00 0.00 N ATOM 452 CA LYS A 35 -7.309 10.490 -5.643 1.00 0.00 C ATOM 453 C LYS A 35 -6.959 9.073 -6.086 1.00 0.00 C ATOM 454 O LYS A 35 -6.244 8.879 -7.069 1.00 0.00 O ATOM 455 CB LYS A 35 -8.156 11.176 -6.718 1.00 0.00 C ATOM 456 CG LYS A 35 -9.016 12.309 -6.183 1.00 0.00 C ATOM 457 CD LYS A 35 -9.491 13.223 -7.300 1.00 0.00 C ATOM 458 CE LYS A 35 -10.793 12.728 -7.910 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.959 12.998 -7.024 1.00 0.00 N ATOM 0 H LYS A 35 -5.613 11.582 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.883 10.432 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.497 11.566 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.800 10.434 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.878 11.896 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.446 12.887 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.631 14.232 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.725 13.282 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.950 13.212 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.721 11.657 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.841 12.836 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.925 12.362 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.927 13.985 -6.699 1.00 0.00 H new ATOM 473 N ALA A 36 -7.468 8.087 -5.355 1.00 0.00 N ATOM 474 CA ALA A 36 -7.211 6.688 -5.675 1.00 0.00 C ATOM 475 C ALA A 36 -8.470 6.004 -6.198 1.00 0.00 C ATOM 476 O ALA A 36 -9.473 5.903 -5.491 1.00 0.00 O ATOM 477 CB ALA A 36 -6.679 5.956 -4.452 1.00 0.00 C ATOM 0 H ALA A 36 -8.061 8.231 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.457 6.653 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.492 4.913 -4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.750 6.422 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.414 6.008 -3.649 1.00 0.00 H new ATOM 483 N HIS A 37 -8.411 5.536 -7.441 1.00 0.00 N ATOM 484 CA HIS A 37 -9.547 4.862 -8.058 1.00 0.00 C ATOM 485 C HIS A 37 -9.079 3.725 -8.961 1.00 0.00 C ATOM 486 O HIS A 37 -8.215 3.914 -9.817 1.00 0.00 O ATOM 487 CB HIS A 37 -10.382 5.857 -8.864 1.00 0.00 C ATOM 488 CG HIS A 37 -9.573 6.688 -9.812 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.068 6.199 -10.998 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.184 7.983 -9.744 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.402 7.157 -11.618 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.457 8.250 -10.878 1.00 0.00 N ATOM 0 H HIS A 37 -7.589 5.611 -8.040 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.163 4.442 -7.263 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.139 5.311 -9.427 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.911 6.517 -8.176 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.189 5.247 -11.343 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.404 8.677 -8.946 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.898 7.063 -12.569 1.00 0.00 H new ATOM 501 N GLY A 38 -9.654 2.542 -8.764 1.00 0.00 N ATOM 502 CA GLY A 38 -9.282 1.392 -9.567 1.00 0.00 C ATOM 503 C GLY A 38 -9.953 0.116 -9.098 1.00 0.00 C ATOM 504 O GLY A 38 -10.636 0.089 -8.075 1.00 0.00 O ATOM 0 H GLY A 38 -10.371 2.360 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.548 1.578 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.200 1.264 -9.533 1.00 0.00 H new ATOM 508 N PRO A 39 -9.761 -0.971 -9.860 1.00 0.00 N ATOM 509 CA PRO A 39 -10.346 -2.276 -9.537 1.00 0.00 C ATOM 510 C PRO A 39 -9.710 -2.907 -8.303 1.00 0.00 C ATOM 511 O PRO A 39 -10.356 -3.660 -7.576 1.00 0.00 O ATOM 512 CB PRO A 39 -10.048 -3.116 -10.781 1.00 0.00 C ATOM 513 CG PRO A 39 -8.844 -2.481 -11.387 1.00 0.00 C ATOM 514 CD PRO A 39 -8.959 -1.011 -11.094 1.00 0.00 C ATOM 0 HA PRO A 39 -11.408 -2.200 -9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.857 -4.157 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.890 -3.110 -11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.929 -2.893 -10.961 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.806 -2.663 -12.461 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.981 -0.552 -10.952 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.448 -0.476 -11.908 1.00 0.00 H new ATOM 522 N GLY A 40 -8.438 -2.594 -8.073 1.00 0.00 N ATOM 523 CA GLY A 40 -7.736 -3.139 -6.925 1.00 0.00 C ATOM 524 C GLY A 40 -8.233 -2.564 -5.614 1.00 0.00 C ATOM 525 O GLY A 40 -7.975 -3.120 -4.546 1.00 0.00 O ATOM 0 H GLY A 40 -7.882 -1.973 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.855 -4.222 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.670 -2.937 -7.026 1.00 0.00 H new ATOM 529 N LEU A 41 -8.947 -1.446 -5.694 1.00 0.00 N ATOM 530 CA LEU A 41 -9.481 -0.793 -4.503 1.00 0.00 C ATOM 531 C LEU A 41 -10.796 -1.435 -4.073 1.00 0.00 C ATOM 532 O LEU A 41 -10.984 -1.760 -2.901 1.00 0.00 O ATOM 533 CB LEU A 41 -9.691 0.699 -4.767 1.00 0.00 C ATOM 534 CG LEU A 41 -8.487 1.458 -5.326 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.879 2.878 -5.701 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.347 1.466 -4.318 1.00 0.00 C ATOM 0 H LEU A 41 -9.169 -0.973 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.758 -0.915 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.521 0.811 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.993 1.174 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.146 0.947 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.010 3.403 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.663 2.851 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.246 3.400 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.499 2.010 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.677 1.952 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.048 0.441 -4.099 1.00 0.00 H new ATOM 548 N GLU A 42 -11.701 -1.617 -5.030 1.00 0.00 N ATOM 549 CA GLU A 42 -12.998 -2.222 -4.749 1.00 0.00 C ATOM 550 C GLU A 42 -12.838 -3.683 -4.336 1.00 0.00 C ATOM 551 O GLU A 42 -13.642 -4.214 -3.571 1.00 0.00 O ATOM 552 CB GLU A 42 -13.907 -2.124 -5.975 1.00 0.00 C ATOM 553 CG GLU A 42 -13.722 -3.262 -6.964 1.00 0.00 C ATOM 554 CD GLU A 42 -14.738 -3.230 -8.089 1.00 0.00 C ATOM 555 OE1 GLU A 42 -14.503 -2.511 -9.082 1.00 0.00 O ATOM 556 OE2 GLU A 42 -15.770 -3.924 -7.975 1.00 0.00 O ATOM 0 H GLU A 42 -11.560 -1.354 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.454 -1.676 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.946 -2.106 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.717 -1.178 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.718 -3.212 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.800 -4.213 -6.437 1.00 0.00 H new ATOM 563 N GLY A 43 -11.795 -4.326 -4.850 1.00 0.00 N ATOM 564 CA GLY A 43 -11.549 -5.719 -4.525 1.00 0.00 C ATOM 565 C GLY A 43 -10.700 -6.417 -5.569 1.00 0.00 C ATOM 566 O GLY A 43 -10.133 -5.773 -6.450 1.00 0.00 O ATOM 0 H GLY A 43 -11.116 -3.908 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.052 -5.781 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.502 -6.240 -4.428 1.00 0.00 H new ATOM 570 N GLY A 44 -10.611 -7.740 -5.469 1.00 0.00 N ATOM 571 CA GLY A 44 -9.821 -8.504 -6.417 1.00 0.00 C ATOM 572 C GLY A 44 -10.029 -9.999 -6.273 1.00 0.00 C ATOM 573 O GLY A 44 -11.131 -10.454 -5.965 1.00 0.00 O ATOM 0 H GLY A 44 -11.072 -8.296 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.082 -8.200 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.765 -8.272 -6.276 1.00 0.00 H new ATOM 577 N LEU A 45 -8.968 -10.766 -6.496 1.00 0.00 N ATOM 578 CA LEU A 45 -9.038 -12.219 -6.391 1.00 0.00 C ATOM 579 C LEU A 45 -7.759 -12.784 -5.782 1.00 0.00 C ATOM 580 O LEU A 45 -6.678 -12.218 -5.947 1.00 0.00 O ATOM 581 CB LEU A 45 -9.277 -12.839 -7.769 1.00 0.00 C ATOM 582 CG LEU A 45 -10.612 -12.502 -8.435 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.496 -12.607 -9.947 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.711 -13.418 -7.917 1.00 0.00 C ATOM 0 H LEU A 45 -8.048 -10.406 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.872 -12.471 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.473 -12.521 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.204 -13.923 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.874 -11.474 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.456 -12.364 -10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.738 -11.910 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.211 -13.623 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.654 -13.165 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.456 -14.454 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.811 -13.292 -6.839 1.00 0.00 H new ATOM 596 N VAL A 46 -7.889 -13.904 -5.078 1.00 0.00 N ATOM 597 CA VAL A 46 -6.743 -14.548 -4.446 1.00 0.00 C ATOM 598 C VAL A 46 -5.737 -15.024 -5.488 1.00 0.00 C ATOM 599 O VAL A 46 -6.113 -15.462 -6.575 1.00 0.00 O ATOM 600 CB VAL A 46 -7.178 -15.747 -3.583 1.00 0.00 C ATOM 601 CG1 VAL A 46 -5.993 -16.309 -2.813 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.297 -15.342 -2.635 1.00 0.00 C ATOM 0 H VAL A 46 -8.777 -14.384 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.273 -13.801 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.556 -16.529 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.320 -17.155 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.226 -16.638 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.582 -15.537 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.592 -16.201 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.948 -14.543 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.153 -14.991 -3.211 1.00 0.00 H new ATOM 612 N GLY A 47 -4.455 -14.935 -5.148 1.00 0.00 N ATOM 613 CA GLY A 47 -3.413 -15.361 -6.065 1.00 0.00 C ATOM 614 C GLY A 47 -3.513 -14.677 -7.414 1.00 0.00 C ATOM 615 O GLY A 47 -2.954 -15.152 -8.403 1.00 0.00 O ATOM 0 H GLY A 47 -4.119 -14.576 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.438 -15.150 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.474 -16.441 -6.203 1.00 0.00 H new ATOM 619 N LYS A 48 -4.227 -13.557 -7.456 1.00 0.00 N ATOM 620 CA LYS A 48 -4.400 -12.805 -8.694 1.00 0.00 C ATOM 621 C LYS A 48 -3.929 -11.364 -8.524 1.00 0.00 C ATOM 622 O LYS A 48 -4.053 -10.767 -7.455 1.00 0.00 O ATOM 623 CB LYS A 48 -5.867 -12.826 -9.127 1.00 0.00 C ATOM 624 CG LYS A 48 -6.265 -14.093 -9.866 1.00 0.00 C ATOM 625 CD LYS A 48 -7.556 -13.902 -10.644 1.00 0.00 C ATOM 626 CE LYS A 48 -7.659 -14.883 -11.802 1.00 0.00 C ATOM 627 NZ LYS A 48 -6.582 -14.668 -12.809 1.00 0.00 N ATOM 0 H LYS A 48 -4.695 -13.150 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.794 -13.279 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.499 -12.716 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.060 -11.966 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.467 -14.383 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.386 -14.909 -9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.407 -14.035 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.605 -12.882 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.601 -15.902 -11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.632 -14.777 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.910 -14.990 -13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.346 -13.656 -12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.737 -15.208 -12.534 1.00 0.00 H new ATOM 641 N PRO A 49 -3.378 -10.790 -9.604 1.00 0.00 N ATOM 642 CA PRO A 49 -2.880 -9.411 -9.600 1.00 0.00 C ATOM 643 C PRO A 49 -4.007 -8.388 -9.510 1.00 0.00 C ATOM 644 O PRO A 49 -5.049 -8.542 -10.146 1.00 0.00 O ATOM 645 CB PRO A 49 -2.155 -9.292 -10.942 1.00 0.00 C ATOM 646 CG PRO A 49 -2.806 -10.307 -11.816 1.00 0.00 C ATOM 647 CD PRO A 49 -3.198 -11.443 -10.911 1.00 0.00 C ATOM 0 HA PRO A 49 -2.244 -9.209 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.254 -8.289 -11.358 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.088 -9.488 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.679 -9.888 -12.317 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.123 -10.646 -12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.114 -11.928 -11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.426 -12.212 -10.873 1.00 0.00 H new ATOM 655 N ALA A 50 -3.790 -7.344 -8.717 1.00 0.00 N ATOM 656 CA ALA A 50 -4.787 -6.294 -8.547 1.00 0.00 C ATOM 657 C ALA A 50 -4.125 -4.934 -8.354 1.00 0.00 C ATOM 658 O ALA A 50 -3.434 -4.706 -7.363 1.00 0.00 O ATOM 659 CB ALA A 50 -5.694 -6.614 -7.367 1.00 0.00 C ATOM 0 H ALA A 50 -2.933 -7.203 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.390 -6.250 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.434 -5.822 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.202 -7.562 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.096 -6.688 -6.458 1.00 0.00 H new ATOM 665 N GLU A 51 -4.342 -4.035 -9.309 1.00 0.00 N ATOM 666 CA GLU A 51 -3.764 -2.698 -9.244 1.00 0.00 C ATOM 667 C GLU A 51 -4.835 -1.632 -9.451 1.00 0.00 C ATOM 668 O GLU A 51 -5.987 -1.943 -9.755 1.00 0.00 O ATOM 669 CB GLU A 51 -2.663 -2.542 -10.295 1.00 0.00 C ATOM 670 CG GLU A 51 -2.985 -3.217 -11.618 1.00 0.00 C ATOM 671 CD GLU A 51 -1.786 -3.288 -12.543 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.175 -2.232 -12.806 1.00 0.00 O ATOM 673 OE2 GLU A 51 -1.459 -4.402 -13.005 1.00 0.00 O ATOM 0 H GLU A 51 -4.913 -4.208 -10.136 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.331 -2.565 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.488 -1.481 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.735 -2.957 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.352 -4.225 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.789 -2.673 -12.113 1.00 0.00 H new ATOM 680 N PHE A 52 -4.448 -0.372 -9.284 1.00 0.00 N ATOM 681 CA PHE A 52 -5.374 0.742 -9.451 1.00 0.00 C ATOM 682 C PHE A 52 -4.662 1.960 -10.031 1.00 0.00 C ATOM 683 O PHE A 52 -3.452 1.936 -10.261 1.00 0.00 O ATOM 684 CB PHE A 52 -6.017 1.104 -8.110 1.00 0.00 C ATOM 685 CG PHE A 52 -5.071 1.012 -6.947 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.297 2.100 -6.580 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.957 -0.163 -6.222 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.425 2.018 -5.511 1.00 0.00 C ATOM 689 CE2 PHE A 52 -4.087 -0.251 -5.151 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.320 0.841 -4.795 1.00 0.00 C ATOM 0 H PHE A 52 -3.499 -0.097 -9.033 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.153 0.432 -10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.412 2.118 -8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.864 0.442 -7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.376 3.023 -7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.554 -1.020 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.826 2.873 -5.235 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.007 -1.173 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.640 0.775 -3.959 1.00 0.00 H new ATOM 700 N THR A 53 -5.421 3.026 -10.266 1.00 0.00 N ATOM 701 CA THR A 53 -4.864 4.254 -10.821 1.00 0.00 C ATOM 702 C THR A 53 -4.848 5.369 -9.782 1.00 0.00 C ATOM 703 O THR A 53 -5.879 5.696 -9.193 1.00 0.00 O ATOM 704 CB THR A 53 -5.661 4.726 -12.052 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.041 3.600 -12.850 1.00 0.00 O ATOM 706 CG2 THR A 53 -4.838 5.693 -12.890 1.00 0.00 C ATOM 0 H THR A 53 -6.423 3.064 -10.081 1.00 0.00 H new ATOM 0 HA THR A 53 -3.841 4.029 -11.124 1.00 0.00 H new ATOM 0 HB THR A 53 -6.555 5.242 -11.703 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.549 3.908 -13.630 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.421 6.013 -13.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.574 6.563 -12.288 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.929 5.197 -13.229 1.00 0.00 H new ATOM 714 N ILE A 54 -3.673 5.950 -9.562 1.00 0.00 N ATOM 715 CA ILE A 54 -3.525 7.030 -8.595 1.00 0.00 C ATOM 716 C ILE A 54 -3.200 8.348 -9.289 1.00 0.00 C ATOM 717 O ILE A 54 -2.305 8.414 -10.131 1.00 0.00 O ATOM 718 CB ILE A 54 -2.421 6.718 -7.567 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.755 5.437 -6.800 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.245 7.885 -6.608 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.615 4.931 -5.943 1.00 0.00 C ATOM 0 H ILE A 54 -2.810 5.691 -10.040 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.479 7.121 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.482 6.566 -8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.623 5.619 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.037 4.660 -7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.462 7.649 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.966 8.777 -7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.181 8.066 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.923 4.021 -5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.752 4.717 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.347 5.690 -5.208 1.00 0.00 H new ATOM 733 N ASP A 55 -3.933 9.396 -8.928 1.00 0.00 N ATOM 734 CA ASP A 55 -3.721 10.715 -9.513 1.00 0.00 C ATOM 735 C ASP A 55 -3.008 11.638 -8.530 1.00 0.00 C ATOM 736 O ASP A 55 -3.572 12.028 -7.507 1.00 0.00 O ATOM 737 CB ASP A 55 -5.057 11.330 -9.934 1.00 0.00 C ATOM 738 CG ASP A 55 -4.888 12.438 -10.955 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.602 13.583 -10.548 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.041 12.158 -12.163 1.00 0.00 O ATOM 0 H ASP A 55 -4.679 9.358 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.090 10.598 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.697 10.552 -10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.565 11.725 -9.054 1.00 0.00 H new ATOM 745 N THR A 56 -1.764 11.984 -8.846 1.00 0.00 N ATOM 746 CA THR A 56 -0.973 12.860 -7.990 1.00 0.00 C ATOM 747 C THR A 56 -0.599 14.147 -8.716 1.00 0.00 C ATOM 748 O THR A 56 0.448 14.738 -8.453 1.00 0.00 O ATOM 749 CB THR A 56 0.313 12.162 -7.509 1.00 0.00 C ATOM 750 OG1 THR A 56 1.198 11.950 -8.615 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.008 10.831 -6.847 1.00 0.00 C ATOM 0 H THR A 56 -1.282 11.671 -9.689 1.00 0.00 H new ATOM 0 HA THR A 56 -1.592 13.101 -7.126 1.00 0.00 H new ATOM 0 HB THR A 56 0.797 12.806 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.014 11.507 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.916 10.357 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.658 10.999 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.513 10.181 -7.562 1.00 0.00 H new ATOM 759 N LYS A 57 -1.462 14.577 -9.630 1.00 0.00 N ATOM 760 CA LYS A 57 -1.224 15.797 -10.393 1.00 0.00 C ATOM 761 C LYS A 57 -1.660 17.027 -9.603 1.00 0.00 C ATOM 762 O LYS A 57 -2.848 17.228 -9.355 1.00 0.00 O ATOM 763 CB LYS A 57 -1.973 15.742 -11.727 1.00 0.00 C ATOM 764 CG LYS A 57 -1.640 14.518 -12.562 1.00 0.00 C ATOM 765 CD LYS A 57 -2.623 14.340 -13.707 1.00 0.00 C ATOM 766 CE LYS A 57 -2.067 13.417 -14.780 1.00 0.00 C ATOM 767 NZ LYS A 57 -2.891 13.448 -16.020 1.00 0.00 N ATOM 0 H LYS A 57 -2.333 14.099 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.154 15.872 -10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.045 15.758 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.740 16.638 -12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.630 14.612 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.652 13.630 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.559 13.933 -13.324 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.853 15.311 -14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.044 13.710 -15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.026 12.398 -14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.479 12.806 -16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.861 13.144 -15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.909 14.416 -16.401 1.00 0.00 H new ATOM 781 N GLY A 58 -0.690 17.848 -9.213 1.00 0.00 N ATOM 782 CA GLY A 58 -0.994 19.049 -8.457 1.00 0.00 C ATOM 783 C GLY A 58 -0.657 18.909 -6.986 1.00 0.00 C ATOM 784 O GLY A 58 -0.233 19.870 -6.345 1.00 0.00 O ATOM 0 H GLY A 58 0.301 17.703 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.439 19.888 -8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.053 19.283 -8.563 1.00 0.00 H new ATOM 788 N ALA A 59 -0.846 17.708 -6.449 1.00 0.00 N ATOM 789 CA ALA A 59 -0.559 17.445 -5.044 1.00 0.00 C ATOM 790 C ALA A 59 0.700 18.179 -4.594 1.00 0.00 C ATOM 791 O ALA A 59 0.682 18.918 -3.611 1.00 0.00 O ATOM 792 CB ALA A 59 -0.414 15.949 -4.806 1.00 0.00 C ATOM 0 H ALA A 59 -1.197 16.902 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.395 17.816 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.200 15.767 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.341 15.445 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.403 15.561 -5.415 1.00 0.00 H new ATOM 798 N GLY A 60 1.793 17.970 -5.322 1.00 0.00 N ATOM 799 CA GLY A 60 3.046 18.619 -4.981 1.00 0.00 C ATOM 800 C GLY A 60 4.246 17.724 -5.222 1.00 0.00 C ATOM 801 O GLY A 60 4.447 17.227 -6.330 1.00 0.00 O ATOM 0 H GLY A 60 1.833 17.363 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.152 19.530 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.024 18.918 -3.933 1.00 0.00 H new ATOM 805 N THR A 61 5.047 17.520 -4.181 1.00 0.00 N ATOM 806 CA THR A 61 6.236 16.682 -4.285 1.00 0.00 C ATOM 807 C THR A 61 6.658 16.156 -2.918 1.00 0.00 C ATOM 808 O THR A 61 6.877 16.928 -1.986 1.00 0.00 O ATOM 809 CB THR A 61 7.413 17.452 -4.913 1.00 0.00 C ATOM 810 OG1 THR A 61 7.035 17.964 -6.196 1.00 0.00 O ATOM 811 CG2 THR A 61 8.631 16.552 -5.059 1.00 0.00 C ATOM 0 H THR A 61 4.894 17.923 -3.257 1.00 0.00 H new ATOM 0 HA THR A 61 5.976 15.843 -4.930 1.00 0.00 H new ATOM 0 HB THR A 61 7.670 18.281 -4.253 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.221 17.512 -6.502 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.450 17.117 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.934 16.187 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.383 15.706 -5.700 1.00 0.00 H new ATOM 819 N GLY A 62 6.772 14.836 -2.806 1.00 0.00 N ATOM 820 CA GLY A 62 7.169 14.230 -1.549 1.00 0.00 C ATOM 821 C GLY A 62 7.223 12.717 -1.626 1.00 0.00 C ATOM 822 O GLY A 62 7.628 12.154 -2.642 1.00 0.00 O ATOM 0 H GLY A 62 6.596 14.176 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.148 14.611 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.468 14.526 -0.769 1.00 0.00 H new ATOM 826 N GLY A 63 6.814 12.056 -0.547 1.00 0.00 N ATOM 827 CA GLY A 63 6.827 10.605 -0.517 1.00 0.00 C ATOM 828 C GLY A 63 5.460 10.019 -0.225 1.00 0.00 C ATOM 829 O GLY A 63 4.594 10.693 0.334 1.00 0.00 O ATOM 0 H GLY A 63 6.474 12.499 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.183 10.228 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.533 10.267 0.241 1.00 0.00 H new ATOM 833 N LEU A 64 5.264 8.761 -0.603 1.00 0.00 N ATOM 834 CA LEU A 64 3.991 8.084 -0.380 1.00 0.00 C ATOM 835 C LEU A 64 4.209 6.701 0.226 1.00 0.00 C ATOM 836 O LEU A 64 5.024 5.919 -0.262 1.00 0.00 O ATOM 837 CB LEU A 64 3.219 7.961 -1.694 1.00 0.00 C ATOM 838 CG LEU A 64 1.867 7.250 -1.614 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.766 8.236 -1.254 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.553 6.553 -2.930 1.00 0.00 C ATOM 0 H LEU A 64 5.970 8.189 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 64 3.408 8.681 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.057 8.963 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.844 7.430 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 64 1.920 6.495 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.189 7.712 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.985 8.689 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.712 9.014 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.588 6.052 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.519 7.290 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.328 5.817 -3.146 1.00 0.00 H new ATOM 852 N GLY A 65 3.474 6.405 1.294 1.00 0.00 N ATOM 853 CA GLY A 65 3.600 5.116 1.948 1.00 0.00 C ATOM 854 C GLY A 65 2.416 4.209 1.675 1.00 0.00 C ATOM 855 O GLY A 65 1.267 4.588 1.907 1.00 0.00 O ATOM 0 H GLY A 65 2.793 7.035 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.514 4.628 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.699 5.266 3.023 1.00 0.00 H new ATOM 859 N LEU A 66 2.695 3.009 1.179 1.00 0.00 N ATOM 860 CA LEU A 66 1.643 2.045 0.872 1.00 0.00 C ATOM 861 C LEU A 66 1.866 0.738 1.626 1.00 0.00 C ATOM 862 O LEU A 66 2.841 0.025 1.382 1.00 0.00 O ATOM 863 CB LEU A 66 1.594 1.777 -0.633 1.00 0.00 C ATOM 864 CG LEU A 66 0.241 1.334 -1.191 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.737 2.499 -1.209 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.405 0.752 -2.588 1.00 0.00 C ATOM 0 H LEU A 66 3.640 2.680 0.981 1.00 0.00 H new ATOM 0 HA LEU A 66 0.691 2.469 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.900 2.684 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.331 1.010 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.162 0.558 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.694 2.164 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.878 2.871 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.340 3.297 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.568 0.442 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.830 1.507 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.070 -0.110 -2.547 1.00 0.00 H new ATOM 878 N THR A 67 0.955 0.426 2.543 1.00 0.00 N ATOM 879 CA THR A 67 1.050 -0.796 3.331 1.00 0.00 C ATOM 880 C THR A 67 -0.291 -1.517 3.394 1.00 0.00 C ATOM 881 O THR A 67 -1.307 -0.928 3.763 1.00 0.00 O ATOM 882 CB THR A 67 1.530 -0.502 4.765 1.00 0.00 C ATOM 883 OG1 THR A 67 0.730 0.534 5.347 1.00 0.00 O ATOM 884 CG2 THR A 67 2.993 -0.085 4.773 1.00 0.00 C ATOM 0 H THR A 67 0.142 1.004 2.758 1.00 0.00 H new ATOM 0 HA THR A 67 1.779 -1.436 2.835 1.00 0.00 H new ATOM 0 HB THR A 67 1.426 -1.414 5.352 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.930 1.387 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.308 0.117 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.602 -0.888 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.118 0.815 4.171 1.00 0.00 H new ATOM 892 N VAL A 68 -0.288 -2.795 3.030 1.00 0.00 N ATOM 893 CA VAL A 68 -1.505 -3.598 3.047 1.00 0.00 C ATOM 894 C VAL A 68 -1.728 -4.231 4.415 1.00 0.00 C ATOM 895 O VAL A 68 -1.084 -5.221 4.763 1.00 0.00 O ATOM 896 CB VAL A 68 -1.460 -4.708 1.980 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.666 -5.625 2.112 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.389 -4.104 0.586 1.00 0.00 C ATOM 0 H VAL A 68 0.544 -3.297 2.720 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.332 -2.924 2.824 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.562 -5.304 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.617 -6.403 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.667 -6.085 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.580 -5.046 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.358 -4.902 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.268 -3.483 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.490 -3.493 0.499 1.00 0.00 H new ATOM 908 N GLU A 69 -2.643 -3.654 5.187 1.00 0.00 N ATOM 909 CA GLU A 69 -2.950 -4.163 6.519 1.00 0.00 C ATOM 910 C GLU A 69 -4.105 -5.159 6.468 1.00 0.00 C ATOM 911 O GLU A 69 -5.256 -4.805 6.719 1.00 0.00 O ATOM 912 CB GLU A 69 -3.297 -3.010 7.462 1.00 0.00 C ATOM 913 CG GLU A 69 -2.096 -2.172 7.868 1.00 0.00 C ATOM 914 CD GLU A 69 -1.280 -2.819 8.971 1.00 0.00 C ATOM 915 OE1 GLU A 69 -0.495 -3.740 8.664 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.426 -2.403 10.139 1.00 0.00 O ATOM 0 H GLU A 69 -3.185 -2.834 4.913 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.066 -4.677 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.032 -2.366 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.767 -3.414 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.460 -2.010 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.437 -1.192 8.201 1.00 0.00 H new ATOM 923 N GLY A 70 -3.788 -6.408 6.140 1.00 0.00 N ATOM 924 CA GLY A 70 -4.809 -7.436 6.061 1.00 0.00 C ATOM 925 C GLY A 70 -4.476 -8.650 6.906 1.00 0.00 C ATOM 926 O GLY A 70 -3.599 -8.611 7.769 1.00 0.00 O ATOM 0 H GLY A 70 -2.842 -6.726 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.763 -7.022 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.932 -7.743 5.022 1.00 0.00 H new ATOM 930 N PRO A 71 -5.187 -9.760 6.660 1.00 0.00 N ATOM 931 CA PRO A 71 -4.981 -11.012 7.395 1.00 0.00 C ATOM 932 C PRO A 71 -3.650 -11.672 7.053 1.00 0.00 C ATOM 933 O PRO A 71 -3.241 -12.637 7.700 1.00 0.00 O ATOM 934 CB PRO A 71 -6.147 -11.890 6.934 1.00 0.00 C ATOM 935 CG PRO A 71 -6.515 -11.358 5.592 1.00 0.00 C ATOM 936 CD PRO A 71 -6.248 -9.879 5.645 1.00 0.00 C ATOM 0 HA PRO A 71 -4.950 -10.852 8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.855 -12.939 6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.986 -11.830 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.925 -11.833 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.563 -11.558 5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.924 -9.494 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.140 -9.320 5.928 1.00 0.00 H new ATOM 944 N CYS A 72 -2.979 -11.146 6.034 1.00 0.00 N ATOM 945 CA CYS A 72 -1.693 -11.686 5.606 1.00 0.00 C ATOM 946 C CYS A 72 -0.866 -10.620 4.895 1.00 0.00 C ATOM 947 O CYS A 72 -1.400 -9.611 4.435 1.00 0.00 O ATOM 948 CB CYS A 72 -1.901 -12.887 4.684 1.00 0.00 C ATOM 949 SG CYS A 72 -0.563 -14.101 4.738 1.00 0.00 S ATOM 0 H CYS A 72 -3.304 -10.347 5.489 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.149 -12.010 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.835 -13.380 4.953 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.012 -12.530 3.660 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.993 -15.241 4.285 1.00 0.00 H new ATOM 955 N GLU A 73 0.441 -10.851 4.809 1.00 0.00 N ATOM 956 CA GLU A 73 1.341 -9.909 4.155 1.00 0.00 C ATOM 957 C GLU A 73 1.377 -10.147 2.648 1.00 0.00 C ATOM 958 O GLU A 73 2.046 -11.061 2.169 1.00 0.00 O ATOM 959 CB GLU A 73 2.752 -10.030 4.735 1.00 0.00 C ATOM 960 CG GLU A 73 3.687 -8.915 4.300 1.00 0.00 C ATOM 961 CD GLU A 73 4.975 -8.889 5.100 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.848 -9.746 4.849 1.00 0.00 O ATOM 963 OE2 GLU A 73 5.111 -8.010 5.977 1.00 0.00 O ATOM 0 H GLU A 73 0.899 -11.682 5.184 1.00 0.00 H new ATOM 0 HA GLU A 73 0.966 -8.902 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.689 -10.036 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.178 -10.987 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.923 -9.035 3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.178 -7.957 4.406 1.00 0.00 H new ATOM 970 N ALA A 74 0.651 -9.316 1.907 1.00 0.00 N ATOM 971 CA ALA A 74 0.600 -9.435 0.455 1.00 0.00 C ATOM 972 C ALA A 74 1.646 -8.542 -0.206 1.00 0.00 C ATOM 973 O ALA A 74 1.851 -7.400 0.205 1.00 0.00 O ATOM 974 CB ALA A 74 -0.791 -9.088 -0.055 1.00 0.00 C ATOM 0 H ALA A 74 0.091 -8.554 2.288 1.00 0.00 H new ATOM 0 HA ALA A 74 0.824 -10.469 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.814 -9.181 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.520 -9.770 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.037 -8.064 0.227 1.00 0.00 H new ATOM 980 N LYS A 75 2.305 -9.070 -1.231 1.00 0.00 N ATOM 981 CA LYS A 75 3.329 -8.322 -1.950 1.00 0.00 C ATOM 982 C LYS A 75 2.744 -7.060 -2.575 1.00 0.00 C ATOM 983 O LYS A 75 1.569 -7.027 -2.944 1.00 0.00 O ATOM 984 CB LYS A 75 3.961 -9.196 -3.036 1.00 0.00 C ATOM 985 CG LYS A 75 5.395 -8.816 -3.364 1.00 0.00 C ATOM 986 CD LYS A 75 6.368 -9.376 -2.340 1.00 0.00 C ATOM 987 CE LYS A 75 7.648 -8.555 -2.281 1.00 0.00 C ATOM 988 NZ LYS A 75 8.368 -8.743 -0.991 1.00 0.00 N ATOM 0 H LYS A 75 2.148 -10.014 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 75 4.098 -8.029 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.934 -10.237 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.359 -9.127 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.654 -9.189 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.486 -7.730 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.897 -9.388 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.608 -10.409 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.301 -8.840 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.409 -7.500 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.234 -8.167 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.755 -8.447 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.619 -9.746 -0.876 1.00 0.00 H new ATOM 1002 N ILE A 76 3.569 -6.025 -2.693 1.00 0.00 N ATOM 1003 CA ILE A 76 3.132 -4.763 -3.276 1.00 0.00 C ATOM 1004 C ILE A 76 4.151 -4.241 -4.283 1.00 0.00 C ATOM 1005 O ILE A 76 5.290 -3.940 -3.928 1.00 0.00 O ATOM 1006 CB ILE A 76 2.902 -3.692 -2.194 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.983 -4.234 -1.097 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.313 -2.433 -2.811 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.013 -3.416 0.175 1.00 0.00 C ATOM 0 H ILE A 76 4.544 -6.036 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 76 2.189 -4.961 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 76 3.862 -3.438 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.961 -4.267 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.271 -5.260 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.156 -1.686 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.000 -2.039 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.360 -2.671 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.338 -3.858 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.027 -3.404 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.696 -2.396 -0.041 1.00 0.00 H new ATOM 1021 N GLU A 77 3.732 -4.135 -5.540 1.00 0.00 N ATOM 1022 CA GLU A 77 4.609 -3.647 -6.598 1.00 0.00 C ATOM 1023 C GLU A 77 4.199 -2.247 -7.044 1.00 0.00 C ATOM 1024 O GLU A 77 3.198 -2.073 -7.740 1.00 0.00 O ATOM 1025 CB GLU A 77 4.583 -4.602 -7.794 1.00 0.00 C ATOM 1026 CG GLU A 77 5.377 -4.104 -8.989 1.00 0.00 C ATOM 1027 CD GLU A 77 6.875 -4.210 -8.780 1.00 0.00 C ATOM 1028 OE1 GLU A 77 7.320 -4.099 -7.619 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.601 -4.404 -9.777 1.00 0.00 O ATOM 0 H GLU A 77 2.792 -4.380 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 77 5.623 -3.600 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.978 -5.569 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.548 -4.762 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.096 -4.678 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.114 -3.065 -9.187 1.00 0.00 H new ATOM 1036 N CYS A 78 4.978 -1.251 -6.636 1.00 0.00 N ATOM 1037 CA CYS A 78 4.696 0.135 -6.991 1.00 0.00 C ATOM 1038 C CYS A 78 5.589 0.595 -8.138 1.00 0.00 C ATOM 1039 O CYS A 78 6.811 0.652 -8.003 1.00 0.00 O ATOM 1040 CB CYS A 78 4.894 1.045 -5.778 1.00 0.00 C ATOM 1041 SG CYS A 78 6.549 0.959 -5.054 1.00 0.00 S ATOM 0 H CYS A 78 5.810 -1.378 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 78 3.657 0.196 -7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.691 2.075 -6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.161 0.781 -5.016 1.00 0.00 H new ATOM 0 HG CYS A 78 7.425 0.763 -5.995 1.00 0.00 H new ATOM 1047 N SER A 79 4.970 0.922 -9.269 1.00 0.00 N ATOM 1048 CA SER A 79 5.710 1.372 -10.442 1.00 0.00 C ATOM 1049 C SER A 79 5.050 2.600 -11.062 1.00 0.00 C ATOM 1050 O SER A 79 3.838 2.627 -11.273 1.00 0.00 O ATOM 1051 CB SER A 79 5.797 0.249 -11.478 1.00 0.00 C ATOM 1052 OG SER A 79 6.599 0.634 -12.581 1.00 0.00 O ATOM 0 H SER A 79 3.959 0.884 -9.397 1.00 0.00 H new ATOM 0 HA SER A 79 6.717 1.643 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.214 -0.645 -11.015 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.796 -0.009 -11.824 1.00 0.00 H new ATOM 0 HG SER A 79 6.640 -0.101 -13.228 1.00 0.00 H new ATOM 1058 N ASP A 80 5.857 3.615 -11.351 1.00 0.00 N ATOM 1059 CA ASP A 80 5.354 4.847 -11.948 1.00 0.00 C ATOM 1060 C ASP A 80 5.008 4.636 -13.418 1.00 0.00 C ATOM 1061 O ASP A 80 5.562 3.757 -14.077 1.00 0.00 O ATOM 1062 CB ASP A 80 6.388 5.965 -11.809 1.00 0.00 C ATOM 1063 CG ASP A 80 5.764 7.344 -11.898 1.00 0.00 C ATOM 1064 OD1 ASP A 80 5.329 7.729 -13.004 1.00 0.00 O ATOM 1065 OD2 ASP A 80 5.710 8.039 -10.862 1.00 0.00 O ATOM 0 H ASP A 80 6.863 3.609 -11.181 1.00 0.00 H new ATOM 0 HA ASP A 80 4.446 5.135 -11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.903 5.863 -10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.141 5.859 -12.590 1.00 0.00 H new ATOM 1070 N ASN A 81 4.087 5.449 -13.927 1.00 0.00 N ATOM 1071 CA ASN A 81 3.665 5.350 -15.319 1.00 0.00 C ATOM 1072 C ASN A 81 4.566 6.189 -16.221 1.00 0.00 C ATOM 1073 O ASN A 81 4.971 5.748 -17.295 1.00 0.00 O ATOM 1074 CB ASN A 81 2.212 5.805 -15.467 1.00 0.00 C ATOM 1075 CG ASN A 81 1.247 4.910 -14.713 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.356 4.905 -13.390 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 0.414 4.232 -15.314 1.00 0.00 N flip ATOM 0 H ASN A 81 3.619 6.183 -13.396 1.00 0.00 H new ATOM 0 HA ASN A 81 3.745 4.306 -15.624 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.115 6.828 -15.103 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.943 5.816 -16.523 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.366 4.267 -16.332 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.229 3.635 -14.794 1.00 0.00 H new ATOM 1084 N GLY A 82 4.877 7.402 -15.774 1.00 0.00 N ATOM 1085 CA GLY A 82 5.728 8.283 -16.552 1.00 0.00 C ATOM 1086 C GLY A 82 5.004 9.533 -17.011 1.00 0.00 C ATOM 1087 O GLY A 82 5.634 10.528 -17.371 1.00 0.00 O ATOM 0 H GLY A 82 4.555 7.790 -14.887 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.594 8.567 -15.954 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.104 7.745 -17.422 1.00 0.00 H new ATOM 1091 N ASP A 83 3.676 9.483 -16.999 1.00 0.00 N ATOM 1092 CA ASP A 83 2.865 10.620 -17.418 1.00 0.00 C ATOM 1093 C ASP A 83 2.468 11.476 -16.219 1.00 0.00 C ATOM 1094 O ASP A 83 2.054 12.624 -16.373 1.00 0.00 O ATOM 1095 CB ASP A 83 1.613 10.137 -18.152 1.00 0.00 C ATOM 1096 CG ASP A 83 0.994 11.220 -19.016 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.240 12.054 -18.472 1.00 0.00 O ATOM 1098 OD2 ASP A 83 1.265 11.233 -20.234 1.00 0.00 O ATOM 0 H ASP A 83 3.139 8.668 -16.704 1.00 0.00 H new ATOM 0 HA ASP A 83 3.462 11.231 -18.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.869 9.281 -18.776 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.878 9.793 -17.424 1.00 0.00 H new ATOM 1103 N GLY A 84 2.597 10.907 -15.024 1.00 0.00 N ATOM 1104 CA GLY A 84 2.247 11.632 -13.816 1.00 0.00 C ATOM 1105 C GLY A 84 1.325 10.839 -12.911 1.00 0.00 C ATOM 1106 O GLY A 84 0.579 11.411 -12.116 1.00 0.00 O ATOM 0 H GLY A 84 2.937 9.958 -14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.157 11.885 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.766 12.572 -14.086 1.00 0.00 H new ATOM 1110 N THR A 85 1.374 9.516 -13.032 1.00 0.00 N ATOM 1111 CA THR A 85 0.535 8.643 -12.221 1.00 0.00 C ATOM 1112 C THR A 85 1.339 7.476 -11.657 1.00 0.00 C ATOM 1113 O THR A 85 2.551 7.391 -11.857 1.00 0.00 O ATOM 1114 CB THR A 85 -0.651 8.090 -13.033 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.202 7.658 -14.323 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.735 9.144 -13.195 1.00 0.00 C ATOM 0 H THR A 85 1.986 9.026 -13.684 1.00 0.00 H new ATOM 0 HA THR A 85 0.152 9.248 -11.399 1.00 0.00 H new ATOM 0 HB THR A 85 -1.070 7.242 -12.491 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.961 7.306 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.562 8.730 -13.772 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.095 9.450 -12.213 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.326 10.009 -13.717 1.00 0.00 H new ATOM 1124 N CYS A 86 0.657 6.579 -10.954 1.00 0.00 N ATOM 1125 CA CYS A 86 1.308 5.416 -10.361 1.00 0.00 C ATOM 1126 C CYS A 86 0.405 4.190 -10.438 1.00 0.00 C ATOM 1127 O CYS A 86 -0.761 4.239 -10.046 1.00 0.00 O ATOM 1128 CB CYS A 86 1.680 5.701 -8.905 1.00 0.00 C ATOM 1129 SG CYS A 86 2.892 7.026 -8.698 1.00 0.00 S ATOM 0 H CYS A 86 -0.347 6.634 -10.781 1.00 0.00 H new ATOM 0 HA CYS A 86 2.217 5.211 -10.927 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.776 5.961 -8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.075 4.789 -8.457 1.00 0.00 H new ATOM 0 HG CYS A 86 3.232 7.490 -9.864 1.00 0.00 H new ATOM 1135 N SER A 87 0.951 3.090 -10.947 1.00 0.00 N ATOM 1136 CA SER A 87 0.194 1.851 -11.081 1.00 0.00 C ATOM 1137 C SER A 87 0.757 0.769 -10.166 1.00 0.00 C ATOM 1138 O SER A 87 1.670 0.034 -10.543 1.00 0.00 O ATOM 1139 CB SER A 87 0.215 1.370 -12.533 1.00 0.00 C ATOM 1140 OG SER A 87 -0.758 2.047 -13.309 1.00 0.00 O ATOM 0 H SER A 87 1.916 3.032 -11.274 1.00 0.00 H new ATOM 0 HA SER A 87 -0.837 2.050 -10.787 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.204 1.535 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.029 0.297 -12.566 1.00 0.00 H new ATOM 0 HG SER A 87 -0.723 1.723 -14.233 1.00 0.00 H new ATOM 1146 N VAL A 88 0.206 0.676 -8.960 1.00 0.00 N ATOM 1147 CA VAL A 88 0.651 -0.317 -7.990 1.00 0.00 C ATOM 1148 C VAL A 88 -0.151 -1.608 -8.116 1.00 0.00 C ATOM 1149 O VAL A 88 -1.374 -1.579 -8.248 1.00 0.00 O ATOM 1150 CB VAL A 88 0.528 0.212 -6.548 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.979 -0.845 -5.551 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.333 1.492 -6.381 1.00 0.00 C ATOM 0 H VAL A 88 -0.550 1.277 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 88 1.700 -0.522 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.520 0.440 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.885 -0.453 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.356 -1.733 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.019 -1.107 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.235 1.852 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.383 1.292 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.959 2.250 -7.069 1.00 0.00 H new ATOM 1162 N SER A 89 0.547 -2.738 -8.074 1.00 0.00 N ATOM 1163 CA SER A 89 -0.100 -4.040 -8.187 1.00 0.00 C ATOM 1164 C SER A 89 0.230 -4.917 -6.983 1.00 0.00 C ATOM 1165 O SER A 89 1.397 -5.102 -6.637 1.00 0.00 O ATOM 1166 CB SER A 89 0.335 -4.739 -9.476 1.00 0.00 C ATOM 1167 OG SER A 89 1.747 -4.744 -9.602 1.00 0.00 O ATOM 0 H SER A 89 1.560 -2.778 -7.963 1.00 0.00 H new ATOM 0 HA SER A 89 -1.178 -3.881 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.037 -5.763 -9.481 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.108 -4.234 -10.334 1.00 0.00 H new ATOM 0 HG SER A 89 2.000 -5.198 -10.433 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.806 -5.454 -6.349 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.628 -6.310 -5.182 1.00 0.00 C ATOM 1175 C TYR A 90 -1.163 -7.714 -5.449 1.00 0.00 C ATOM 1176 O TYR A 90 -2.016 -7.912 -6.315 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.336 -5.706 -3.967 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.844 -5.759 -4.057 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.540 -6.908 -3.703 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.573 -4.660 -4.494 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.918 -6.961 -3.784 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.951 -4.703 -4.576 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.619 -5.856 -4.221 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.992 -5.905 -4.301 1.00 0.00 O ATOM 0 H TYR A 90 -1.778 -5.312 -6.623 1.00 0.00 H new ATOM 0 HA TYR A 90 0.440 -6.380 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.015 -6.235 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.023 -4.668 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.995 -7.774 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.053 -3.756 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.444 -7.863 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.502 -3.839 -4.916 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.347 -4.996 -4.390 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.655 -8.686 -4.699 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.080 -10.073 -4.852 1.00 0.00 C ATOM 1196 C LEU A 91 -1.422 -10.690 -3.500 1.00 0.00 C ATOM 1197 O LEU A 91 -0.544 -11.044 -2.712 1.00 0.00 O ATOM 1198 CB LEU A 91 0.017 -10.890 -5.537 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.057 -10.967 -7.062 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.334 -11.126 -7.656 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.958 -12.114 -7.496 1.00 0.00 C ATOM 0 H LEU A 91 0.052 -8.539 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.976 -10.087 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.983 -10.467 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.012 -11.905 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.485 -10.036 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.262 -11.179 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.950 -10.272 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.789 -12.041 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.998 -12.153 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.560 -13.054 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.962 -11.958 -7.101 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.727 -10.826 -3.224 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.215 -11.404 -1.969 1.00 0.00 C ATOM 1215 C PRO A 92 -2.939 -12.901 -1.874 1.00 0.00 C ATOM 1216 O PRO A 92 -2.683 -13.561 -2.881 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.722 -11.141 -2.018 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.040 -11.036 -3.470 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.828 -10.426 -4.117 1.00 0.00 C ATOM 0 HA PRO A 92 -2.721 -10.968 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.281 -11.950 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.982 -10.224 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.257 -12.017 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.922 -10.417 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.681 -10.802 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.914 -9.342 -4.189 1.00 0.00 H new ATOM 1227 N THR A 93 -2.992 -13.432 -0.656 1.00 0.00 N ATOM 1228 CA THR A 93 -2.747 -14.851 -0.430 1.00 0.00 C ATOM 1229 C THR A 93 -4.035 -15.580 -0.064 1.00 0.00 C ATOM 1230 O THR A 93 -4.295 -16.683 -0.546 1.00 0.00 O ATOM 1231 CB THR A 93 -1.711 -15.070 0.689 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.107 -14.362 1.869 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.332 -14.603 0.249 1.00 0.00 C ATOM 0 H THR A 93 -3.202 -12.900 0.189 1.00 0.00 H new ATOM 0 HA THR A 93 -2.356 -15.257 -1.363 1.00 0.00 H new ATOM 0 HB THR A 93 -1.663 -16.137 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.073 -14.966 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.382 -14.768 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.021 -15.165 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.368 -13.541 0.007 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.840 -14.957 0.790 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.103 -15.545 1.219 1.00 0.00 C ATOM 1243 C LYS A 94 -7.255 -14.564 1.023 1.00 0.00 C ATOM 1244 O LYS A 94 -7.091 -13.348 1.131 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.021 -15.965 2.688 1.00 0.00 C ATOM 1246 CG LYS A 94 -4.913 -16.963 2.974 1.00 0.00 C ATOM 1247 CD LYS A 94 -4.627 -17.067 4.463 1.00 0.00 C ATOM 1248 CE LYS A 94 -5.513 -18.108 5.130 1.00 0.00 C ATOM 1249 NZ LYS A 94 -5.750 -17.797 6.566 1.00 0.00 N ATOM 0 H LYS A 94 -4.640 -14.044 1.199 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.291 -16.426 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.867 -15.078 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.975 -16.399 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.195 -17.942 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.007 -16.662 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.580 -17.327 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.786 -16.097 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.468 -18.160 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.048 -19.090 5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.358 -18.530 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.841 -17.772 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.217 -16.871 6.648 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.448 -15.101 0.729 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.650 -14.290 0.514 1.00 0.00 C ATOM 1265 C PRO A 95 -10.149 -13.641 1.801 1.00 0.00 C ATOM 1266 O PRO A 95 -10.383 -14.321 2.800 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.673 -15.303 -0.006 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.217 -16.614 0.535 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.716 -16.542 0.584 1.00 0.00 C ATOM 0 HA PRO A 95 -9.466 -13.461 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.679 -15.061 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.702 -15.313 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.632 -16.792 1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.548 -17.435 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.314 -17.112 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.265 -16.945 -0.322 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.310 -12.322 1.770 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.781 -11.604 2.940 1.00 0.00 C ATOM 1279 C GLY A 96 -10.917 -10.115 2.690 1.00 0.00 C ATOM 1280 O GLY A 96 -11.756 -9.686 1.899 1.00 0.00 O ATOM 0 H GLY A 96 -10.123 -11.737 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.746 -12.008 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.090 -11.769 3.767 1.00 0.00 H new ATOM 1284 N GLU A 97 -10.091 -9.325 3.369 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.125 -7.875 3.218 1.00 0.00 C ATOM 1286 C GLU A 97 -8.728 -7.279 3.367 1.00 0.00 C ATOM 1287 O GLU A 97 -8.043 -7.516 4.362 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.068 -7.255 4.251 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.539 -7.485 3.947 1.00 0.00 C ATOM 1290 CD GLU A 97 -13.429 -7.240 5.150 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -13.242 -7.926 6.176 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -14.312 -6.361 5.064 1.00 0.00 O ATOM 0 H GLU A 97 -9.391 -9.664 4.028 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.493 -7.648 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.840 -7.668 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.880 -6.183 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.845 -6.827 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.678 -8.509 3.599 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.312 -6.506 2.370 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.996 -5.879 2.387 1.00 0.00 C ATOM 1301 C TYR A 98 -7.117 -4.361 2.473 1.00 0.00 C ATOM 1302 O TYR A 98 -7.588 -3.710 1.540 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.205 -6.268 1.137 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.926 -7.751 1.035 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.864 -8.618 0.488 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.725 -8.284 1.485 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.613 -9.974 0.393 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.465 -9.638 1.393 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.412 -10.478 0.846 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.158 -11.828 0.754 1.00 0.00 O ATOM 0 H TYR A 98 -8.867 -6.299 1.540 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.465 -6.234 3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.758 -5.949 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.258 -5.727 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.805 -8.226 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.981 -7.629 1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.353 -10.635 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.526 -10.036 1.747 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.990 -12.304 0.552 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.689 -3.802 3.601 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.749 -2.361 3.811 1.00 0.00 C ATOM 1322 C PHE A 99 -5.478 -1.684 3.306 1.00 0.00 C ATOM 1323 O PHE A 99 -4.408 -1.827 3.898 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.952 -2.048 5.295 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.345 -2.328 5.781 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -9.384 -1.462 5.484 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -8.615 -3.458 6.537 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.667 -1.717 5.929 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -9.896 -3.718 6.985 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.923 -2.846 6.682 1.00 0.00 C ATOM 0 H PHE A 99 -6.297 -4.326 4.383 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.596 -1.972 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.246 -2.635 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.718 -0.998 5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.189 -0.576 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.815 -4.143 6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.469 -1.034 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.094 -4.603 7.572 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.924 -3.047 7.033 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.603 -0.946 2.207 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.466 -0.246 1.622 1.00 0.00 C ATOM 1342 C VAL A 100 -4.250 1.107 2.290 1.00 0.00 C ATOM 1343 O VAL A 100 -4.995 2.055 2.048 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.655 -0.035 0.108 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.421 0.615 -0.499 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.966 -1.356 -0.579 1.00 0.00 C ATOM 0 H VAL A 100 -6.481 -0.818 1.704 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.590 -0.873 1.787 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.501 0.635 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.573 0.756 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.249 1.582 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.555 -0.027 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.097 -1.188 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.143 -2.052 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.882 -1.776 -0.163 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.225 1.188 3.132 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.911 2.426 3.836 1.00 0.00 C ATOM 1358 C ASN A 101 -2.158 3.393 2.927 1.00 0.00 C ATOM 1359 O ASN A 101 -0.978 3.197 2.638 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.078 2.130 5.085 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.840 1.309 6.107 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.319 1.836 7.111 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -2.956 0.010 5.854 1.00 0.00 N ATOM 0 H ASN A 101 -2.598 0.412 3.343 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.850 2.892 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.173 1.596 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.763 3.069 5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.458 -0.593 6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.543 -0.384 5.009 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.850 4.436 2.480 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.246 5.434 1.606 1.00 0.00 C ATOM 1372 C ILE A 102 -2.014 6.746 2.347 1.00 0.00 C ATOM 1373 O ILE A 102 -2.963 7.442 2.712 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.124 5.704 0.370 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.487 4.389 -0.323 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.408 6.637 -0.595 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.444 4.559 -1.482 1.00 0.00 C ATOM 0 H ILE A 102 -3.828 4.612 2.709 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.288 5.030 1.280 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.045 6.187 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.574 3.914 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.931 3.713 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.041 6.818 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.196 7.583 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.473 6.179 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.656 3.586 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.372 5.005 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.994 5.209 -2.233 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.747 7.080 2.565 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.389 8.311 3.261 1.00 0.00 C ATOM 1391 C LEU A 103 0.702 9.065 2.508 1.00 0.00 C ATOM 1392 O LEU A 103 1.717 8.486 2.119 1.00 0.00 O ATOM 1393 CB LEU A 103 0.081 7.997 4.683 1.00 0.00 C ATOM 1394 CG LEU A 103 0.745 6.635 4.886 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.238 6.723 4.615 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.486 6.120 6.294 1.00 0.00 C ATOM 0 H LEU A 103 0.050 6.516 2.270 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.275 8.944 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.784 8.771 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.778 8.063 5.351 1.00 0.00 H new ATOM 0 HG LEU A 103 0.309 5.931 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.693 5.744 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.403 7.047 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.690 7.442 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.966 5.150 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.894 6.824 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.588 6.017 6.452 1.00 0.00 H new ATOM 1408 N PHE A 104 0.487 10.361 2.307 1.00 0.00 N ATOM 1409 CA PHE A 104 1.452 11.196 1.601 1.00 0.00 C ATOM 1410 C PHE A 104 2.260 12.041 2.581 1.00 0.00 C ATOM 1411 O PHE A 104 1.720 12.924 3.246 1.00 0.00 O ATOM 1412 CB PHE A 104 0.737 12.102 0.598 1.00 0.00 C ATOM 1413 CG PHE A 104 1.617 12.561 -0.530 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.224 11.642 -1.370 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.838 13.911 -0.748 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.035 12.061 -2.409 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.647 14.336 -1.785 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.247 13.410 -2.616 1.00 0.00 C ATOM 0 H PHE A 104 -0.347 10.856 2.623 1.00 0.00 H new ATOM 0 HA PHE A 104 2.137 10.540 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.120 11.569 0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.347 12.975 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.062 10.586 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.373 14.640 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.502 11.334 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.810 15.392 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.881 13.740 -3.426 1.00 0.00 H new ATOM 1428 N GLU A 105 3.557 11.762 2.665 1.00 0.00 N ATOM 1429 CA GLU A 105 4.440 12.495 3.565 1.00 0.00 C ATOM 1430 C GLU A 105 4.005 12.317 5.017 1.00 0.00 C ATOM 1431 O GLU A 105 3.997 13.271 5.794 1.00 0.00 O ATOM 1432 CB GLU A 105 4.451 13.982 3.204 1.00 0.00 C ATOM 1433 CG GLU A 105 5.174 14.287 1.902 1.00 0.00 C ATOM 1434 CD GLU A 105 5.817 15.660 1.899 1.00 0.00 C ATOM 1435 OE1 GLU A 105 6.028 16.219 2.995 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.109 16.175 0.800 1.00 0.00 O ATOM 0 H GLU A 105 4.020 11.034 2.121 1.00 0.00 H new ATOM 0 HA GLU A 105 5.447 12.093 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.423 14.337 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.924 14.540 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.940 13.531 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.468 14.219 1.074 1.00 0.00 H new ATOM 1443 N GLU A 106 3.645 11.088 5.374 1.00 0.00 N ATOM 1444 CA GLU A 106 3.209 10.785 6.732 1.00 0.00 C ATOM 1445 C GLU A 106 1.827 11.373 7.003 1.00 0.00 C ATOM 1446 O GLU A 106 1.488 11.691 8.143 1.00 0.00 O ATOM 1447 CB GLU A 106 4.215 11.329 7.749 1.00 0.00 C ATOM 1448 CG GLU A 106 5.663 11.066 7.372 1.00 0.00 C ATOM 1449 CD GLU A 106 6.582 11.033 8.578 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.096 10.732 9.688 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.789 11.310 8.411 1.00 0.00 O ATOM 0 H GLU A 106 3.647 10.287 4.742 1.00 0.00 H new ATOM 0 HA GLU A 106 3.151 9.701 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.066 12.403 7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.014 10.880 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.730 10.116 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.002 11.840 6.683 1.00 0.00 H new ATOM 1458 N VAL A 107 1.033 11.515 5.947 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.313 12.063 6.069 1.00 0.00 C ATOM 1460 C VAL A 107 -1.336 11.169 5.379 1.00 0.00 C ATOM 1461 O VAL A 107 -1.321 11.019 4.157 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.398 13.480 5.470 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.679 14.170 5.911 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.822 14.299 5.865 1.00 0.00 C ATOM 0 H VAL A 107 1.299 11.258 4.996 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.539 12.112 7.134 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.415 13.396 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.721 15.169 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.539 13.591 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.696 14.244 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.746 15.297 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.872 14.376 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.723 13.811 5.494 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.226 10.577 6.170 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.259 9.697 5.634 1.00 0.00 C ATOM 1476 C HIS A 108 -4.205 10.466 4.717 1.00 0.00 C ATOM 1477 O HIS A 108 -4.845 11.430 5.138 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.047 9.050 6.773 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.486 7.735 7.218 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.073 6.524 6.916 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.382 7.445 7.946 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.356 5.547 7.440 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.324 6.078 8.070 1.00 0.00 N ATOM 0 H HIS A 108 -2.253 10.691 7.183 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.771 8.916 5.050 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.068 9.733 7.622 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.079 8.906 6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.678 8.156 8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.576 4.492 7.366 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.601 5.558 8.568 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.288 10.034 3.463 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.156 10.681 2.488 1.00 0.00 C ATOM 1494 C ILE A 109 -6.625 10.427 2.805 1.00 0.00 C ATOM 1495 O ILE A 109 -6.991 9.414 3.403 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.859 10.193 1.058 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.224 8.714 0.915 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.394 10.417 0.715 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.662 8.332 -0.482 1.00 0.00 C ATOM 0 H ILE A 109 -3.764 9.238 3.099 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.954 11.750 2.547 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.468 10.768 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.363 8.107 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.024 8.476 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.200 10.067 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.163 11.480 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.768 9.865 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.905 7.270 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.542 8.913 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.855 8.538 -1.185 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.491 11.366 2.395 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.935 11.265 2.622 1.00 0.00 C ATOM 1513 C PRO A 110 -9.579 10.166 1.783 1.00 0.00 C ATOM 1514 O PRO A 110 -10.108 10.426 0.703 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.458 12.639 2.196 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.451 13.142 1.221 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.125 12.599 1.677 1.00 0.00 C ATOM 0 HA PRO A 110 -9.168 11.007 3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.446 12.563 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.551 13.309 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.684 12.805 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.440 14.232 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.464 12.393 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.604 13.303 2.326 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.530 8.937 2.288 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.113 7.817 1.572 1.00 0.00 C ATOM 1527 C GLY A 111 -9.472 6.495 1.944 1.00 0.00 C ATOM 1528 O GLY A 111 -10.004 5.430 1.630 1.00 0.00 O ATOM 0 H GLY A 111 -9.097 8.697 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.181 7.771 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.006 7.980 0.500 1.00 0.00 H new ATOM 1532 N SER A 112 -8.326 6.562 2.614 1.00 0.00 N ATOM 1533 CA SER A 112 -7.610 5.360 3.025 1.00 0.00 C ATOM 1534 C SER A 112 -7.770 5.117 4.523 1.00 0.00 C ATOM 1535 O SER A 112 -8.013 6.037 5.304 1.00 0.00 O ATOM 1536 CB SER A 112 -6.126 5.479 2.672 1.00 0.00 C ATOM 1537 OG SER A 112 -5.318 4.836 3.642 1.00 0.00 O ATOM 0 H SER A 112 -7.874 7.436 2.884 1.00 0.00 H new ATOM 0 HA SER A 112 -8.037 4.512 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.945 5.036 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.849 6.531 2.603 1.00 0.00 H new ATOM 0 HG SER A 112 -4.708 5.489 4.044 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.631 3.848 4.934 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.342 2.745 4.013 1.00 0.00 C ATOM 1545 C PRO A 113 -8.523 2.424 3.104 1.00 0.00 C ATOM 1546 O PRO A 113 -9.672 2.712 3.438 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.051 1.568 4.948 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.783 1.894 6.204 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.745 3.392 6.329 1.00 0.00 C ATOM 0 HA PRO A 113 -6.520 2.983 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.398 0.627 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.982 1.461 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.810 1.532 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.312 1.419 7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.646 3.778 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.899 3.724 6.931 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.233 1.824 1.954 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.272 1.464 0.996 1.00 0.00 C ATOM 1559 C PHE A 114 -9.623 -0.017 1.105 1.00 0.00 C ATOM 1560 O PHE A 114 -8.869 -0.880 0.653 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.818 1.789 -0.428 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.852 3.256 -0.749 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.903 4.117 -0.220 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.833 3.775 -1.578 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -7.931 5.467 -0.513 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -9.866 5.125 -1.874 1.00 0.00 C ATOM 1567 CZ PHE A 114 -8.915 5.972 -1.340 1.00 0.00 C ATOM 0 H PHE A 114 -7.287 1.577 1.663 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.163 2.048 1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.803 1.418 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.455 1.256 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.132 3.728 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.580 3.118 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.184 6.126 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.635 5.517 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 114 -8.941 7.027 -1.569 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.771 -0.304 1.707 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.224 -1.680 1.876 1.00 0.00 C ATOM 1579 C LYS A 115 -11.449 -2.349 0.524 1.00 0.00 C ATOM 1580 O LYS A 115 -12.263 -1.892 -0.277 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.516 -1.716 2.696 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.951 -3.119 3.084 1.00 0.00 C ATOM 1583 CD LYS A 115 -14.338 -3.122 3.703 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.338 -2.467 5.076 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.641 -2.643 5.775 1.00 0.00 N ATOM 0 H LYS A 115 -11.406 0.398 2.087 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.447 -2.229 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.379 -1.124 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.313 -1.243 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.944 -3.760 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.236 -3.540 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.031 -2.595 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.697 -4.148 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.540 -2.895 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.123 -1.404 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.600 -2.183 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.400 -2.212 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.835 -3.657 5.898 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.722 -3.434 0.277 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.845 -4.167 -0.976 1.00 0.00 C ATOM 1601 C ALA A 116 -11.321 -5.595 -0.733 1.00 0.00 C ATOM 1602 O ALA A 116 -10.602 -6.408 -0.151 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.516 -4.170 -1.718 1.00 0.00 C ATOM 0 H ALA A 116 -10.042 -3.824 0.929 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.591 -3.664 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.622 -4.721 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.217 -3.144 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.755 -4.647 -1.100 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.535 -5.893 -1.181 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.107 -7.224 -1.011 1.00 0.00 C ATOM 1611 C ASP A 117 -12.529 -8.198 -2.033 1.00 0.00 C ATOM 1612 O ASP A 117 -12.752 -8.056 -3.236 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.630 -7.169 -1.146 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.308 -6.728 0.136 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.883 -7.181 1.219 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -16.266 -5.929 0.056 1.00 0.00 O ATOM 0 H ASP A 117 -13.142 -5.231 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.851 -7.578 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.896 -6.482 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -15.003 -8.153 -1.431 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.784 -9.185 -1.547 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.174 -10.182 -2.418 1.00 0.00 C ATOM 1623 C ILE A 118 -12.008 -11.458 -2.462 1.00 0.00 C ATOM 1624 O ILE A 118 -12.293 -12.060 -1.428 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.746 -10.531 -1.960 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.845 -9.297 -2.039 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.180 -11.662 -2.805 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.640 -8.788 -3.449 1.00 0.00 C ATOM 0 H ILE A 118 -11.588 -9.316 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.130 -9.745 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.785 -10.863 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.279 -8.501 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.875 -9.537 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.170 -11.897 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.811 -12.544 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.152 -11.356 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.991 -7.912 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.178 -9.568 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.603 -8.516 -3.881 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.394 -11.864 -3.667 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.195 -13.070 -3.846 1.00 0.00 C ATOM 1642 C GLU A 119 -12.356 -14.197 -4.441 1.00 0.00 C ATOM 1643 O GLU A 119 -11.246 -13.971 -4.921 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.397 -12.782 -4.748 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.405 -11.826 -4.133 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.805 -12.024 -4.679 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -17.290 -13.175 -4.665 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.416 -11.029 -5.122 1.00 0.00 O ATOM 0 H GLU A 119 -12.166 -11.376 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.553 -13.386 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.042 -12.365 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.897 -13.721 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.418 -11.964 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.088 -10.800 -4.320 1.00 0.00 H new ATOM 1655 N MET A 120 -12.896 -15.410 -4.406 1.00 0.00 N ATOM 1656 CA MET A 120 -12.198 -16.573 -4.943 1.00 0.00 C ATOM 1657 C MET A 120 -12.314 -16.622 -6.463 1.00 0.00 C ATOM 1658 O MET A 120 -13.378 -16.390 -7.036 1.00 0.00 O ATOM 1659 CB MET A 120 -12.762 -17.859 -4.334 1.00 0.00 C ATOM 1660 CG MET A 120 -12.441 -18.024 -2.858 1.00 0.00 C ATOM 1661 SD MET A 120 -12.982 -19.615 -2.203 1.00 0.00 S ATOM 1662 CE MET A 120 -12.091 -19.662 -0.650 1.00 0.00 C ATOM 0 H MET A 120 -13.814 -15.614 -4.012 1.00 0.00 H new ATOM 0 HA MET A 120 -11.144 -16.487 -4.680 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.844 -17.869 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.366 -18.714 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.366 -17.921 -2.710 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.918 -17.222 -2.295 1.00 0.00 H new ATOM 0 HE1 MET A 120 -12.294 -20.605 -0.142 1.00 0.00 H new ATOM 0 HE2 MET A 120 -11.021 -19.576 -0.841 1.00 0.00 H new ATOM 0 HE3 MET A 120 -12.414 -18.834 -0.020 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.194 -16.932 -7.133 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.145 -17.019 -8.595 1.00 0.00 C ATOM 1674 C PRO A 121 -11.914 -18.222 -9.130 1.00 0.00 C ATOM 1675 O PRO A 121 -12.101 -19.215 -8.427 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.650 -17.165 -8.892 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.075 -17.765 -7.655 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.889 -17.221 -6.514 1.00 0.00 C ATOM 0 HA PRO A 121 -11.605 -16.153 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.479 -17.804 -9.758 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.194 -16.200 -9.113 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.128 -18.853 -7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.023 -17.500 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.980 -17.945 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.438 -16.324 -6.090 1.00 0.00 H new