USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 37 CYS SG : rot 180:sc= -0.928 USER MOD Set 1.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 MET CE :methyl -121:sc= -2.45 (180deg=-3.71!) USER MOD Set 2.2: A 69 SER OG : rot -110:sc= -0.0868 USER MOD Set 2.3: A 70 SER OG : rot -84:sc= 0.0808 USER MOD Single : A 26 ASN : amide:sc= -1.34 K(o=-1.3,f=-4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 140:sc= -3.87 (180deg=-8.85!) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.32 (180deg=-1.13) USER MOD Single : A 44 GLN : amide:sc= -0.536 K(o=-0.54,f=-7.7!) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc=-0.00803 (180deg=-0.417) USER MOD Single : A 48 ASN :FLIP amide:sc= -2.05! C(o=-4.1!,f=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc=-0.00569 (180deg=-0.265) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -86:sc= 0.291 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -0.0225 (180deg=-0.0225) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 86 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.038) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -1.53 F(o=-2.5,f=-1.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-1.1) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -78:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= -0.0279 (180deg=-0.252) USER MOD Single : A 121 TYR OH : rot 98:sc= 0.264 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 26.048 20.390 -5.791 1.00 0.00 N ATOM 385 CA ASN A 26 25.267 21.459 -5.181 1.00 0.00 C ATOM 386 C ASN A 26 23.810 21.392 -5.630 1.00 0.00 C ATOM 387 O ASN A 26 23.089 22.389 -5.587 1.00 0.00 O ATOM 388 CB ASN A 26 25.860 22.822 -5.541 1.00 0.00 C ATOM 389 CG ASN A 26 26.028 23.004 -7.037 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.304 22.403 -7.831 1.00 0.00 O ATOM 391 ND2 ASN A 26 26.986 23.835 -7.428 1.00 0.00 N ATOM 0 HA ASN A 26 25.303 21.329 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.215 23.610 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.828 22.934 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.146 23.997 -8.422 1.00 0.00 H new ATOM 0 HD22 ASN A 26 27.562 24.312 -6.734 1.00 0.00 H new ATOM 398 N VAL A 27 23.383 20.209 -6.061 1.00 0.00 N ATOM 399 CA VAL A 27 22.012 20.010 -6.516 1.00 0.00 C ATOM 400 C VAL A 27 21.164 19.351 -5.434 1.00 0.00 C ATOM 401 O VAL A 27 21.558 18.344 -4.849 1.00 0.00 O ATOM 402 CB VAL A 27 21.964 19.145 -7.789 1.00 0.00 C ATOM 403 CG1 VAL A 27 22.532 17.761 -7.517 1.00 0.00 C ATOM 404 CG2 VAL A 27 20.539 19.051 -8.315 1.00 0.00 C ATOM 0 H VAL A 27 23.967 19.374 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 27 21.606 20.996 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 27 22.579 19.620 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.489 17.165 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.568 17.851 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.946 17.274 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.523 18.436 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.900 18.600 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.172 20.050 -8.551 1.00 0.00 H new ATOM 414 N GLY A 28 19.994 19.928 -5.174 1.00 0.00 N ATOM 415 CA GLY A 28 19.107 19.383 -4.163 1.00 0.00 C ATOM 416 C GLY A 28 17.956 18.600 -4.762 1.00 0.00 C ATOM 417 O GLY A 28 17.284 19.075 -5.678 1.00 0.00 O ATOM 0 H GLY A 28 19.645 20.763 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.676 18.734 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.711 20.196 -3.555 1.00 0.00 H new ATOM 421 N SER A 29 17.728 17.397 -4.247 1.00 0.00 N ATOM 422 CA SER A 29 16.654 16.544 -4.741 1.00 0.00 C ATOM 423 C SER A 29 15.627 16.273 -3.645 1.00 0.00 C ATOM 424 O SER A 29 15.983 16.028 -2.493 1.00 0.00 O ATOM 425 CB SER A 29 17.222 15.222 -5.261 1.00 0.00 C ATOM 426 OG SER A 29 17.665 15.349 -6.601 1.00 0.00 O ATOM 0 H SER A 29 18.273 16.990 -3.487 1.00 0.00 H new ATOM 0 HA SER A 29 16.157 17.065 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.052 14.905 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.460 14.446 -5.199 1.00 0.00 H new ATOM 0 HG SER A 29 18.025 14.491 -6.909 1.00 0.00 H new ATOM 432 N GLY A 30 14.351 16.320 -4.014 1.00 0.00 N ATOM 433 CA GLY A 30 13.291 16.079 -3.052 1.00 0.00 C ATOM 434 C GLY A 30 12.198 15.187 -3.605 1.00 0.00 C ATOM 435 O GLY A 30 11.578 15.510 -4.618 1.00 0.00 O ATOM 0 H GLY A 30 14.032 16.521 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.713 15.619 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.858 17.032 -2.746 1.00 0.00 H new ATOM 439 N MET A 31 11.961 14.061 -2.940 1.00 0.00 N ATOM 440 CA MET A 31 10.935 13.120 -3.372 1.00 0.00 C ATOM 441 C MET A 31 9.906 12.893 -2.269 1.00 0.00 C ATOM 442 O MET A 31 10.256 12.539 -1.143 1.00 0.00 O ATOM 443 CB MET A 31 11.571 11.788 -3.774 1.00 0.00 C ATOM 444 CG MET A 31 10.568 10.761 -4.275 1.00 0.00 C ATOM 445 SD MET A 31 10.242 9.462 -3.068 1.00 0.00 S ATOM 446 CE MET A 31 8.677 10.013 -2.392 1.00 0.00 C ATOM 0 H MET A 31 12.466 13.778 -2.100 1.00 0.00 H new ATOM 0 HA MET A 31 10.427 13.547 -4.236 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.312 11.969 -4.552 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.103 11.376 -2.917 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.633 11.263 -4.524 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.943 10.311 -5.195 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.025 9.153 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.849 10.516 -1.440 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.204 10.706 -3.088 1.00 0.00 H new ATOM 456 N VAL A 32 8.635 13.099 -2.600 1.00 0.00 N ATOM 457 CA VAL A 32 7.555 12.916 -1.638 1.00 0.00 C ATOM 458 C VAL A 32 6.313 12.341 -2.309 1.00 0.00 C ATOM 459 O VAL A 32 6.124 12.484 -3.516 1.00 0.00 O ATOM 460 CB VAL A 32 7.186 14.243 -0.950 1.00 0.00 C ATOM 461 CG1 VAL A 32 6.258 13.993 0.229 1.00 0.00 C ATOM 462 CG2 VAL A 32 8.441 14.979 -0.505 1.00 0.00 C ATOM 0 H VAL A 32 8.328 13.393 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 32 7.916 12.214 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 32 6.660 14.871 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.008 14.942 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.345 13.511 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.755 13.346 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.162 15.915 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.997 14.358 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.065 15.192 -1.373 1.00 0.00 H new ATOM 472 N GLY A 33 5.466 11.690 -1.517 1.00 0.00 N ATOM 473 CA GLY A 33 4.251 11.104 -2.052 1.00 0.00 C ATOM 474 C GLY A 33 3.460 10.350 -1.001 1.00 0.00 C ATOM 475 O GLY A 33 3.755 10.438 0.190 1.00 0.00 O ATOM 0 H GLY A 33 5.600 11.558 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.628 11.891 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.506 10.426 -2.866 1.00 0.00 H new ATOM 479 N ALA A 34 2.451 9.607 -1.443 1.00 0.00 N ATOM 480 CA ALA A 34 1.615 8.834 -0.532 1.00 0.00 C ATOM 481 C ALA A 34 1.247 7.483 -1.137 1.00 0.00 C ATOM 482 O ALA A 34 1.165 7.323 -2.355 1.00 0.00 O ATOM 483 CB ALA A 34 0.358 9.616 -0.178 1.00 0.00 C ATOM 0 H ALA A 34 2.192 9.524 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 34 2.185 8.651 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.257 9.027 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.636 10.554 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.207 9.828 -1.086 1.00 0.00 H new ATOM 489 N PRO A 35 1.021 6.487 -0.268 1.00 0.00 N ATOM 490 CA PRO A 35 0.658 5.132 -0.694 1.00 0.00 C ATOM 491 C PRO A 35 -0.745 5.067 -1.285 1.00 0.00 C ATOM 492 O PRO A 35 -0.950 4.506 -2.362 1.00 0.00 O ATOM 493 CB PRO A 35 0.731 4.322 0.603 1.00 0.00 C ATOM 494 CG PRO A 35 0.500 5.318 1.686 1.00 0.00 C ATOM 495 CD PRO A 35 1.101 6.607 1.198 1.00 0.00 C ATOM 0 HA PRO A 35 1.315 4.762 -1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.023 3.535 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.701 3.836 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.565 5.436 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.967 4.997 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.546 7.472 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.131 6.724 1.536 1.00 0.00 H new ATOM 503 N ALA A 36 -1.710 5.643 -0.575 1.00 0.00 N ATOM 504 CA ALA A 36 -3.094 5.652 -1.032 1.00 0.00 C ATOM 505 C ALA A 36 -3.297 6.670 -2.148 1.00 0.00 C ATOM 506 O ALA A 36 -4.281 6.608 -2.887 1.00 0.00 O ATOM 507 CB ALA A 36 -4.031 5.945 0.130 1.00 0.00 C ATOM 0 H ALA A 36 -1.558 6.110 0.319 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.326 4.664 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.061 5.949 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.914 5.177 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.790 6.920 0.555 1.00 0.00 H new ATOM 513 N CYS A 37 -2.362 7.607 -2.266 1.00 0.00 N ATOM 514 CA CYS A 37 -2.440 8.640 -3.292 1.00 0.00 C ATOM 515 C CYS A 37 -1.747 8.188 -4.573 1.00 0.00 C ATOM 516 O CYS A 37 -2.207 8.478 -5.676 1.00 0.00 O ATOM 517 CB CYS A 37 -1.809 9.938 -2.787 1.00 0.00 C ATOM 518 SG CYS A 37 -2.650 10.662 -1.360 1.00 0.00 S ATOM 0 H CYS A 37 -1.541 7.672 -1.664 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.492 8.818 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.769 9.745 -2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.802 10.666 -3.599 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.041 11.755 -1.006 1.00 0.00 H new ATOM 524 N GLY A 38 -0.635 7.475 -4.418 1.00 0.00 N ATOM 525 CA GLY A 38 0.105 6.995 -5.570 1.00 0.00 C ATOM 526 C GLY A 38 0.794 8.115 -6.324 1.00 0.00 C ATOM 527 O GLY A 38 1.360 7.896 -7.394 1.00 0.00 O ATOM 0 H GLY A 38 -0.234 7.222 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.850 6.269 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.575 6.473 -6.243 1.00 0.00 H new ATOM 531 N ALA A 39 0.744 9.320 -5.766 1.00 0.00 N ATOM 532 CA ALA A 39 1.368 10.479 -6.393 1.00 0.00 C ATOM 533 C ALA A 39 2.791 10.678 -5.883 1.00 0.00 C ATOM 534 O ALA A 39 3.095 10.380 -4.728 1.00 0.00 O ATOM 535 CB ALA A 39 0.535 11.727 -6.141 1.00 0.00 C ATOM 0 H ALA A 39 0.278 9.519 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 39 1.417 10.299 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.012 12.585 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.462 11.590 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.457 11.902 -5.068 1.00 0.00 H new ATOM 541 N VAL A 40 3.661 11.184 -6.752 1.00 0.00 N ATOM 542 CA VAL A 40 5.053 11.423 -6.390 1.00 0.00 C ATOM 543 C VAL A 40 5.527 12.780 -6.899 1.00 0.00 C ATOM 544 O VAL A 40 5.539 13.033 -8.103 1.00 0.00 O ATOM 545 CB VAL A 40 5.976 10.325 -6.951 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.381 10.471 -6.388 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.410 8.947 -6.644 1.00 0.00 C ATOM 0 H VAL A 40 3.426 11.436 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 40 5.104 11.408 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 40 6.031 10.437 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.019 9.687 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.784 11.446 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.349 10.385 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.074 8.183 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.325 8.821 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.425 8.849 -7.100 1.00 0.00 H new ATOM 557 N MET A 41 5.919 13.649 -5.973 1.00 0.00 N ATOM 558 CA MET A 41 6.397 14.980 -6.328 1.00 0.00 C ATOM 559 C MET A 41 7.921 15.037 -6.296 1.00 0.00 C ATOM 560 O MET A 41 8.529 15.047 -5.226 1.00 0.00 O ATOM 561 CB MET A 41 5.815 16.026 -5.375 1.00 0.00 C ATOM 562 CG MET A 41 4.296 16.012 -5.311 1.00 0.00 C ATOM 563 SD MET A 41 3.543 17.180 -6.459 1.00 0.00 S ATOM 564 CE MET A 41 3.061 18.493 -5.340 1.00 0.00 C ATOM 0 H MET A 41 5.915 13.455 -4.972 1.00 0.00 H new ATOM 0 HA MET A 41 6.064 15.199 -7.343 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.214 15.856 -4.375 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.148 17.016 -5.688 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.936 15.007 -5.532 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.977 16.249 -4.296 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.984 18.646 -5.401 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.331 18.219 -4.320 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.575 19.414 -5.617 1.00 0.00 H new ATOM 574 N LYS A 42 8.532 15.074 -7.475 1.00 0.00 N ATOM 575 CA LYS A 42 9.985 15.131 -7.583 1.00 0.00 C ATOM 576 C LYS A 42 10.433 16.448 -8.209 1.00 0.00 C ATOM 577 O LYS A 42 10.117 16.737 -9.364 1.00 0.00 O ATOM 578 CB LYS A 42 10.502 13.956 -8.416 1.00 0.00 C ATOM 579 CG LYS A 42 9.960 12.610 -7.970 1.00 0.00 C ATOM 580 CD LYS A 42 10.825 11.466 -8.473 1.00 0.00 C ATOM 581 CE LYS A 42 12.104 11.336 -7.660 1.00 0.00 C ATOM 582 NZ LYS A 42 12.369 9.925 -7.264 1.00 0.00 N ATOM 0 H LYS A 42 8.043 15.066 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 42 10.402 15.067 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.236 14.117 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.591 13.935 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.911 12.579 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.942 12.487 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.263 10.533 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.074 11.630 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.944 11.714 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.031 11.956 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.928 9.910 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.466 9.433 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.898 9.446 -8.020 1.00 0.00 H new ATOM 596 N LEU A 43 11.170 17.242 -7.441 1.00 0.00 N ATOM 597 CA LEU A 43 11.663 18.529 -7.922 1.00 0.00 C ATOM 598 C LEU A 43 13.163 18.663 -7.676 1.00 0.00 C ATOM 599 O LEU A 43 13.682 18.179 -6.671 1.00 0.00 O ATOM 600 CB LEU A 43 10.917 19.673 -7.233 1.00 0.00 C ATOM 601 CG LEU A 43 9.608 20.112 -7.890 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.631 18.949 -7.962 1.00 0.00 C ATOM 603 CD2 LEU A 43 8.995 21.279 -7.130 1.00 0.00 C ATOM 0 H LEU A 43 11.440 17.018 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 43 11.483 18.581 -8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.703 19.375 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.582 20.535 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 43 9.826 20.440 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.705 19.280 -8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.068 18.142 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.418 18.590 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.064 21.578 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.791 20.977 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.690 22.119 -7.130 1.00 0.00 H new ATOM 615 N GLN A 44 13.851 19.327 -8.599 1.00 0.00 N ATOM 616 CA GLN A 44 15.291 19.526 -8.481 1.00 0.00 C ATOM 617 C GLN A 44 15.616 20.989 -8.195 1.00 0.00 C ATOM 618 O GLN A 44 14.883 21.889 -8.605 1.00 0.00 O ATOM 619 CB GLN A 44 15.996 19.075 -9.761 1.00 0.00 C ATOM 620 CG GLN A 44 16.728 17.751 -9.618 1.00 0.00 C ATOM 621 CD GLN A 44 15.798 16.557 -9.709 1.00 0.00 C ATOM 622 OE1 GLN A 44 14.671 16.595 -9.217 1.00 0.00 O ATOM 623 NE2 GLN A 44 16.267 15.488 -10.342 1.00 0.00 N ATOM 0 H GLN A 44 13.435 19.736 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 44 15.649 18.923 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.260 18.989 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.708 19.843 -10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.488 17.675 -10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.248 17.729 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.208 15.500 -10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.686 14.655 -10.435 1.00 0.00 H new ATOM 632 N ILE A 45 16.719 21.218 -7.491 1.00 0.00 N ATOM 633 CA ILE A 45 17.141 22.571 -7.151 1.00 0.00 C ATOM 634 C ILE A 45 18.659 22.705 -7.214 1.00 0.00 C ATOM 635 O ILE A 45 19.384 21.711 -7.176 1.00 0.00 O ATOM 636 CB ILE A 45 16.658 22.975 -5.746 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.180 21.987 -4.700 1.00 0.00 C ATOM 638 CG2 ILE A 45 15.139 23.044 -5.707 1.00 0.00 C ATOM 639 CD1 ILE A 45 17.194 22.547 -3.295 1.00 0.00 C ATOM 0 H ILE A 45 17.337 20.484 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 45 16.689 23.237 -7.886 1.00 0.00 H new ATOM 0 HB ILE A 45 17.052 23.964 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.561 21.090 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.191 21.683 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.813 23.331 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.790 23.783 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.724 22.068 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.575 21.793 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.836 23.427 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.181 22.825 -3.004 1.00 0.00 H new ATOM 651 N LYS A 46 19.134 23.943 -7.308 1.00 0.00 N ATOM 652 CA LYS A 46 20.566 24.210 -7.373 1.00 0.00 C ATOM 653 C LYS A 46 20.928 25.440 -6.546 1.00 0.00 C ATOM 654 O LYS A 46 20.598 26.567 -6.915 1.00 0.00 O ATOM 655 CB LYS A 46 21.003 24.412 -8.825 1.00 0.00 C ATOM 656 CG LYS A 46 22.462 24.070 -9.074 1.00 0.00 C ATOM 657 CD LYS A 46 23.309 25.322 -9.227 1.00 0.00 C ATOM 658 CE LYS A 46 24.673 25.003 -9.821 1.00 0.00 C ATOM 659 NZ LYS A 46 25.212 26.142 -10.615 1.00 0.00 N ATOM 0 H LYS A 46 18.548 24.777 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 46 21.090 23.348 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.379 23.797 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.829 25.450 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.843 23.471 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.546 23.461 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.791 26.037 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.437 25.797 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.370 24.757 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.595 24.121 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.992 25.808 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.458 26.536 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.564 26.879 -9.971 1.00 0.00 H new ATOM 673 N VAL A 47 21.609 25.216 -5.427 1.00 0.00 N ATOM 674 CA VAL A 47 22.018 26.306 -4.550 1.00 0.00 C ATOM 675 C VAL A 47 23.502 26.616 -4.713 1.00 0.00 C ATOM 676 O VAL A 47 24.305 25.727 -4.993 1.00 0.00 O ATOM 677 CB VAL A 47 21.734 25.975 -3.073 1.00 0.00 C ATOM 678 CG1 VAL A 47 21.955 27.200 -2.198 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.318 25.442 -2.910 1.00 0.00 C ATOM 0 H VAL A 47 21.889 24.289 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 47 21.433 27.180 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 47 22.430 25.200 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 47 21.749 26.946 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 47 22.989 27.533 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.286 28.000 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.134 25.213 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.605 26.194 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.199 24.536 -3.505 1.00 0.00 H new ATOM 689 N ASN A 48 23.859 27.884 -4.536 1.00 0.00 N ATOM 690 CA ASN A 48 25.247 28.312 -4.664 1.00 0.00 C ATOM 691 C ASN A 48 25.907 28.434 -3.294 1.00 0.00 C ATOM 692 O ASN A 48 25.273 28.202 -2.265 1.00 0.00 O ATOM 693 CB ASN A 48 25.324 29.651 -5.401 1.00 0.00 C ATOM 694 CG ASN A 48 24.108 30.521 -5.147 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.924 30.931 -3.897 1.00 0.00 O flip ATOM 696 ND2 ASN A 48 23.343 30.821 -6.064 1.00 0.00 N flip ATOM 0 H ASN A 48 23.206 28.633 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 48 25.782 27.557 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 48 26.221 30.184 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 48 25.420 29.469 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.523 30.484 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.529 31.407 -5.878 1.00 0.00 H new ATOM 703 N ASP A 49 27.184 28.799 -3.290 1.00 0.00 N ATOM 704 CA ASP A 49 27.931 28.953 -2.047 1.00 0.00 C ATOM 705 C ASP A 49 27.253 29.965 -1.128 1.00 0.00 C ATOM 706 O ASP A 49 27.425 29.923 0.090 1.00 0.00 O ATOM 707 CB ASP A 49 29.366 29.394 -2.340 1.00 0.00 C ATOM 708 CG ASP A 49 30.322 28.221 -2.440 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.016 27.268 -3.186 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.377 28.257 -1.772 1.00 0.00 O ATOM 0 H ASP A 49 27.724 28.994 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 49 27.952 27.987 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.387 29.957 -3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.704 30.069 -1.553 1.00 0.00 H new ATOM 715 N GLU A 50 26.485 30.873 -1.720 1.00 0.00 N ATOM 716 CA GLU A 50 25.783 31.897 -0.954 1.00 0.00 C ATOM 717 C GLU A 50 24.579 31.303 -0.229 1.00 0.00 C ATOM 718 O GLU A 50 24.039 31.907 0.697 1.00 0.00 O ATOM 719 CB GLU A 50 25.330 33.032 -1.874 1.00 0.00 C ATOM 720 CG GLU A 50 26.102 34.325 -1.671 1.00 0.00 C ATOM 721 CD GLU A 50 26.129 34.768 -0.222 1.00 0.00 C ATOM 722 OE1 GLU A 50 25.039 34.959 0.360 1.00 0.00 O ATOM 723 OE2 GLU A 50 27.237 34.925 0.332 1.00 0.00 O ATOM 0 H GLU A 50 26.333 30.921 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 50 26.473 32.296 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.438 32.713 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.270 33.222 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.124 34.193 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.653 35.111 -2.279 1.00 0.00 H new ATOM 730 N GLY A 51 24.163 30.115 -0.658 1.00 0.00 N ATOM 731 CA GLY A 51 23.026 29.460 -0.039 1.00 0.00 C ATOM 732 C GLY A 51 21.703 29.949 -0.594 1.00 0.00 C ATOM 733 O GLY A 51 20.694 29.967 0.113 1.00 0.00 O ATOM 0 H GLY A 51 24.593 29.595 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.104 28.383 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.052 29.634 1.037 1.00 0.00 H new ATOM 737 N ILE A 52 21.705 30.348 -1.861 1.00 0.00 N ATOM 738 CA ILE A 52 20.496 30.840 -2.510 1.00 0.00 C ATOM 739 C ILE A 52 20.179 30.034 -3.765 1.00 0.00 C ATOM 740 O ILE A 52 21.070 29.719 -4.554 1.00 0.00 O ATOM 741 CB ILE A 52 20.625 32.327 -2.887 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.889 33.171 -1.638 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.368 32.804 -3.599 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.836 33.009 -0.565 1.00 0.00 C ATOM 0 H ILE A 52 22.531 30.340 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 52 19.683 30.725 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 52 21.470 32.443 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.861 32.900 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.946 34.221 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.475 33.857 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.220 32.219 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.508 32.678 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.088 33.636 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.865 33.307 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.795 31.966 -0.250 1.00 0.00 H new ATOM 756 N ILE A 53 18.904 29.706 -3.944 1.00 0.00 N ATOM 757 CA ILE A 53 18.468 28.940 -5.105 1.00 0.00 C ATOM 758 C ILE A 53 18.726 29.707 -6.398 1.00 0.00 C ATOM 759 O ILE A 53 18.119 30.748 -6.644 1.00 0.00 O ATOM 760 CB ILE A 53 16.971 28.590 -5.019 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.703 27.693 -3.809 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.511 27.911 -6.301 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.315 26.314 -3.931 1.00 0.00 C ATOM 0 H ILE A 53 18.155 29.959 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 53 19.048 28.017 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 53 16.404 29.513 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.094 28.177 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.626 27.593 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.451 27.670 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.671 28.582 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.082 26.995 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.085 25.733 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.906 25.810 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.396 26.404 -4.037 1.00 0.00 H new ATOM 775 N GLU A 54 19.629 29.183 -7.220 1.00 0.00 N ATOM 776 CA GLU A 54 19.966 29.818 -8.489 1.00 0.00 C ATOM 777 C GLU A 54 19.316 29.081 -9.656 1.00 0.00 C ATOM 778 O GLU A 54 19.084 29.660 -10.717 1.00 0.00 O ATOM 779 CB GLU A 54 21.484 29.856 -8.678 1.00 0.00 C ATOM 780 CG GLU A 54 22.072 28.540 -9.157 1.00 0.00 C ATOM 781 CD GLU A 54 23.581 28.589 -9.292 1.00 0.00 C ATOM 782 OE1 GLU A 54 24.068 29.108 -10.319 1.00 0.00 O ATOM 783 OE2 GLU A 54 24.276 28.109 -8.372 1.00 0.00 O ATOM 0 H GLU A 54 20.140 28.321 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 54 19.584 30.838 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.733 30.638 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.952 30.131 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.799 27.749 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.633 28.280 -10.120 1.00 0.00 H new ATOM 790 N ASP A 55 19.025 27.801 -9.451 1.00 0.00 N ATOM 791 CA ASP A 55 18.401 26.984 -10.486 1.00 0.00 C ATOM 792 C ASP A 55 17.392 26.015 -9.878 1.00 0.00 C ATOM 793 O ASP A 55 17.497 25.647 -8.708 1.00 0.00 O ATOM 794 CB ASP A 55 19.465 26.210 -11.265 1.00 0.00 C ATOM 795 CG ASP A 55 19.398 26.474 -12.756 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.526 25.881 -13.426 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.216 27.275 -13.254 1.00 0.00 O ATOM 0 H ASP A 55 19.211 27.307 -8.578 1.00 0.00 H new ATOM 0 HA ASP A 55 17.873 27.648 -11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.453 26.484 -10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.340 25.143 -11.082 1.00 0.00 H new ATOM 802 N ALA A 56 16.415 25.606 -10.680 1.00 0.00 N ATOM 803 CA ALA A 56 15.388 24.679 -10.221 1.00 0.00 C ATOM 804 C ALA A 56 14.825 23.865 -11.381 1.00 0.00 C ATOM 805 O ALA A 56 14.319 24.423 -12.355 1.00 0.00 O ATOM 806 CB ALA A 56 14.273 25.434 -9.513 1.00 0.00 C ATOM 0 H ALA A 56 16.313 25.902 -11.651 1.00 0.00 H new ATOM 0 HA ALA A 56 15.848 23.987 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.513 24.729 -9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.682 25.965 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.824 26.150 -10.202 1.00 0.00 H new ATOM 812 N ARG A 57 14.916 22.544 -11.271 1.00 0.00 N ATOM 813 CA ARG A 57 14.417 21.654 -12.313 1.00 0.00 C ATOM 814 C ARG A 57 13.091 21.023 -11.899 1.00 0.00 C ATOM 815 O ARG A 57 12.738 21.011 -10.720 1.00 0.00 O ATOM 816 CB ARG A 57 15.443 20.560 -12.613 1.00 0.00 C ATOM 817 CG ARG A 57 16.103 20.701 -13.975 1.00 0.00 C ATOM 818 CD ARG A 57 15.099 20.513 -15.102 1.00 0.00 C ATOM 819 NE ARG A 57 14.574 21.787 -15.586 1.00 0.00 N ATOM 820 CZ ARG A 57 13.691 21.891 -16.572 1.00 0.00 C ATOM 821 NH1 ARG A 57 13.235 20.802 -17.176 1.00 0.00 N ATOM 822 NH2 ARG A 57 13.261 23.086 -16.956 1.00 0.00 N ATOM 0 H ARG A 57 15.331 22.066 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 57 14.253 22.245 -13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.213 20.575 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.953 19.588 -12.555 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.564 21.685 -14.057 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.902 19.966 -14.071 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.574 19.980 -15.926 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.275 19.890 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 57 14.904 22.644 -15.142 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.563 19.881 -16.883 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.557 20.885 -17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.609 23.926 -16.494 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.583 23.165 -17.714 1.00 0.00 H new ATOM 836 N PHE A 58 12.360 20.499 -12.878 1.00 0.00 N ATOM 837 CA PHE A 58 11.072 19.868 -12.616 1.00 0.00 C ATOM 838 C PHE A 58 10.838 18.695 -13.564 1.00 0.00 C ATOM 839 O PHE A 58 11.302 18.702 -14.705 1.00 0.00 O ATOM 840 CB PHE A 58 9.941 20.888 -12.760 1.00 0.00 C ATOM 841 CG PHE A 58 8.571 20.275 -12.716 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.136 19.599 -11.588 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.718 20.374 -13.803 1.00 0.00 C ATOM 844 CE1 PHE A 58 6.876 19.032 -11.545 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.456 19.810 -13.766 1.00 0.00 C ATOM 846 CZ PHE A 58 6.034 19.139 -12.635 1.00 0.00 C ATOM 0 H PHE A 58 12.638 20.499 -13.859 1.00 0.00 H new ATOM 0 HA PHE A 58 11.083 19.490 -11.594 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.025 21.627 -11.963 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.061 21.421 -13.703 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.789 19.514 -10.732 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.042 20.898 -14.690 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.550 18.506 -10.660 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.801 19.894 -14.621 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.048 18.699 -12.603 1.00 0.00 H new ATOM 856 N LYS A 59 10.117 17.688 -13.084 1.00 0.00 N ATOM 857 CA LYS A 59 9.819 16.508 -13.887 1.00 0.00 C ATOM 858 C LYS A 59 8.322 16.218 -13.894 1.00 0.00 C ATOM 859 O LYS A 59 7.598 16.609 -12.977 1.00 0.00 O ATOM 860 CB LYS A 59 10.583 15.295 -13.350 1.00 0.00 C ATOM 861 CG LYS A 59 12.039 15.585 -13.032 1.00 0.00 C ATOM 862 CD LYS A 59 12.289 15.609 -11.534 1.00 0.00 C ATOM 863 CE LYS A 59 13.063 14.382 -11.077 1.00 0.00 C ATOM 864 NZ LYS A 59 12.393 13.118 -11.494 1.00 0.00 N ATOM 0 H LYS A 59 9.728 17.665 -12.142 1.00 0.00 H new ATOM 0 HA LYS A 59 10.137 16.706 -14.911 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.088 14.934 -12.448 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.533 14.491 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.671 14.827 -13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.323 16.545 -13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.845 16.509 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.337 15.657 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.071 14.413 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.164 14.399 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.708 12.339 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.362 13.228 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.640 12.903 -12.481 1.00 0.00 H new ATOM 978 N ALA A 68 -0.298 22.272 -11.572 1.00 0.00 N ATOM 979 CA ALA A 68 0.171 23.649 -11.472 1.00 0.00 C ATOM 980 C ALA A 68 0.920 23.880 -10.165 1.00 0.00 C ATOM 981 O ALA A 68 1.784 24.753 -10.080 1.00 0.00 O ATOM 982 CB ALA A 68 -0.999 24.614 -11.590 1.00 0.00 C ATOM 0 HA ALA A 68 0.863 23.832 -12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.635 25.639 -11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.490 24.474 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.712 24.422 -10.788 1.00 0.00 H new ATOM 988 N SER A 69 0.584 23.093 -9.148 1.00 0.00 N ATOM 989 CA SER A 69 1.223 23.215 -7.843 1.00 0.00 C ATOM 990 C SER A 69 2.729 22.996 -7.952 1.00 0.00 C ATOM 991 O SER A 69 3.520 23.746 -7.380 1.00 0.00 O ATOM 992 CB SER A 69 0.620 22.210 -6.860 1.00 0.00 C ATOM 993 OG SER A 69 1.497 21.119 -6.643 1.00 0.00 O ATOM 0 H SER A 69 -0.127 22.364 -9.203 1.00 0.00 H new ATOM 0 HA SER A 69 1.046 24.225 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.410 22.705 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.331 21.844 -7.247 1.00 0.00 H new ATOM 0 HG SER A 69 1.123 20.312 -7.054 1.00 0.00 H new ATOM 999 N SER A 70 3.117 21.962 -8.691 1.00 0.00 N ATOM 1000 CA SER A 70 4.528 21.639 -8.873 1.00 0.00 C ATOM 1001 C SER A 70 5.241 22.743 -9.648 1.00 0.00 C ATOM 1002 O SER A 70 6.280 23.245 -9.220 1.00 0.00 O ATOM 1003 CB SER A 70 4.677 20.306 -9.609 1.00 0.00 C ATOM 1004 OG SER A 70 3.634 19.412 -9.261 1.00 0.00 O ATOM 0 H SER A 70 2.475 21.333 -9.173 1.00 0.00 H new ATOM 0 HA SER A 70 4.987 21.555 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.669 20.478 -10.685 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.640 19.858 -9.365 1.00 0.00 H new ATOM 0 HG SER A 70 3.865 18.947 -8.430 1.00 0.00 H new ATOM 1010 N SER A 71 4.676 23.115 -10.792 1.00 0.00 N ATOM 1011 CA SER A 71 5.259 24.157 -11.630 1.00 0.00 C ATOM 1012 C SER A 71 5.269 25.497 -10.902 1.00 0.00 C ATOM 1013 O SER A 71 6.057 26.387 -11.225 1.00 0.00 O ATOM 1014 CB SER A 71 4.480 24.282 -12.941 1.00 0.00 C ATOM 1015 OG SER A 71 5.341 24.153 -14.059 1.00 0.00 O ATOM 0 H SER A 71 3.815 22.710 -11.160 1.00 0.00 H new ATOM 0 HA SER A 71 6.288 23.876 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.707 23.515 -12.983 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.974 25.247 -12.977 1.00 0.00 H new ATOM 0 HG SER A 71 4.819 24.235 -14.885 1.00 0.00 H new ATOM 1021 N LEU A 72 4.389 25.635 -9.916 1.00 0.00 N ATOM 1022 CA LEU A 72 4.295 26.867 -9.141 1.00 0.00 C ATOM 1023 C LEU A 72 5.368 26.911 -8.058 1.00 0.00 C ATOM 1024 O LEU A 72 6.094 27.897 -7.929 1.00 0.00 O ATOM 1025 CB LEU A 72 2.909 26.989 -8.506 1.00 0.00 C ATOM 1026 CG LEU A 72 2.778 28.001 -7.367 1.00 0.00 C ATOM 1027 CD1 LEU A 72 1.395 28.634 -7.371 1.00 0.00 C ATOM 1028 CD2 LEU A 72 3.059 27.335 -6.028 1.00 0.00 C ATOM 0 H LEU A 72 3.730 24.909 -9.635 1.00 0.00 H new ATOM 0 HA LEU A 72 4.453 27.706 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.196 27.256 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.617 26.009 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 72 3.515 28.789 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.321 29.351 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.232 29.146 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.640 27.859 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.961 28.070 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.346 26.527 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.071 26.931 -6.028 1.00 0.00 H new ATOM 1040 N VAL A 73 5.464 25.836 -7.282 1.00 0.00 N ATOM 1041 CA VAL A 73 6.451 25.750 -6.213 1.00 0.00 C ATOM 1042 C VAL A 73 7.870 25.826 -6.766 1.00 0.00 C ATOM 1043 O VAL A 73 8.794 26.263 -6.080 1.00 0.00 O ATOM 1044 CB VAL A 73 6.295 24.447 -5.408 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.928 24.390 -4.742 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.511 23.238 -6.305 1.00 0.00 C ATOM 0 H VAL A 73 4.870 25.012 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 73 6.276 26.599 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 73 7.054 24.431 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.837 23.462 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.817 25.238 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.150 24.429 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.397 22.326 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.777 23.247 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.515 23.274 -6.729 1.00 0.00 H new ATOM 1056 N THR A 74 8.036 25.397 -8.014 1.00 0.00 N ATOM 1057 CA THR A 74 9.342 25.416 -8.660 1.00 0.00 C ATOM 1058 C THR A 74 9.763 26.838 -9.011 1.00 0.00 C ATOM 1059 O THR A 74 10.873 27.263 -8.692 1.00 0.00 O ATOM 1060 CB THR A 74 9.346 24.561 -9.942 1.00 0.00 C ATOM 1061 OG1 THR A 74 8.053 24.593 -10.556 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.731 23.122 -9.632 1.00 0.00 C ATOM 0 H THR A 74 7.282 25.033 -8.597 1.00 0.00 H new ATOM 0 HA THR A 74 10.052 24.996 -7.948 1.00 0.00 H new ATOM 0 HB THR A 74 10.084 24.978 -10.628 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.483 23.904 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.727 22.538 -10.552 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.728 23.099 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.014 22.697 -8.929 1.00 0.00 H new ATOM 1070 N GLU A 75 8.868 27.571 -9.667 1.00 0.00 N ATOM 1071 CA GLU A 75 9.148 28.947 -10.060 1.00 0.00 C ATOM 1072 C GLU A 75 9.314 29.840 -8.833 1.00 0.00 C ATOM 1073 O GLU A 75 9.905 30.916 -8.912 1.00 0.00 O ATOM 1074 CB GLU A 75 8.025 29.485 -10.948 1.00 0.00 C ATOM 1075 CG GLU A 75 6.661 29.477 -10.278 1.00 0.00 C ATOM 1076 CD GLU A 75 5.612 30.221 -11.082 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.983 29.593 -11.959 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.420 31.429 -10.834 1.00 0.00 O ATOM 0 H GLU A 75 7.944 27.235 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 75 10.082 28.955 -10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.267 30.505 -11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.976 28.888 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.338 28.446 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.743 29.928 -9.289 1.00 0.00 H new ATOM 1085 N TRP A 76 8.787 29.384 -7.702 1.00 0.00 N ATOM 1086 CA TRP A 76 8.876 30.142 -6.459 1.00 0.00 C ATOM 1087 C TRP A 76 10.253 29.985 -5.823 1.00 0.00 C ATOM 1088 O TRP A 76 10.886 30.969 -5.441 1.00 0.00 O ATOM 1089 CB TRP A 76 7.793 29.684 -5.480 1.00 0.00 C ATOM 1090 CG TRP A 76 6.710 30.699 -5.275 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.364 30.470 -5.267 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.882 32.102 -5.051 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.688 31.647 -5.051 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.597 32.663 -4.914 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.996 32.939 -4.950 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.399 34.021 -4.683 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.798 34.288 -4.721 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.507 34.818 -4.589 1.00 0.00 C ATOM 0 H TRP A 76 8.294 28.495 -7.620 1.00 0.00 H new ATOM 0 HA TRP A 76 8.723 31.195 -6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.349 28.759 -5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.255 29.457 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.899 29.506 -5.409 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.674 31.748 -5.001 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.994 32.539 -5.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.405 34.431 -4.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.652 34.944 -4.643 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.385 35.876 -4.410 1.00 0.00 H new ATOM 1109 N VAL A 77 10.711 28.742 -5.713 1.00 0.00 N ATOM 1110 CA VAL A 77 12.014 28.457 -5.124 1.00 0.00 C ATOM 1111 C VAL A 77 13.140 29.035 -5.975 1.00 0.00 C ATOM 1112 O VAL A 77 14.189 29.420 -5.459 1.00 0.00 O ATOM 1113 CB VAL A 77 12.236 26.942 -4.959 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.293 26.376 -3.908 1.00 0.00 C ATOM 1115 CG2 VAL A 77 12.054 26.229 -6.290 1.00 0.00 C ATOM 0 H VAL A 77 10.199 27.916 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 77 12.027 28.928 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 77 13.259 26.777 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.464 25.304 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.477 26.866 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.261 26.551 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.215 25.159 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.043 26.400 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.774 26.616 -7.011 1.00 0.00 H new ATOM 1125 N LYS A 78 12.914 29.093 -7.283 1.00 0.00 N ATOM 1126 CA LYS A 78 13.908 29.626 -8.208 1.00 0.00 C ATOM 1127 C LYS A 78 14.268 31.064 -7.850 1.00 0.00 C ATOM 1128 O LYS A 78 13.555 32.001 -8.208 1.00 0.00 O ATOM 1129 CB LYS A 78 13.384 29.562 -9.644 1.00 0.00 C ATOM 1130 CG LYS A 78 14.026 28.467 -10.478 1.00 0.00 C ATOM 1131 CD LYS A 78 14.480 28.989 -11.831 1.00 0.00 C ATOM 1132 CE LYS A 78 13.413 28.781 -12.895 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.925 30.074 -13.450 1.00 0.00 N ATOM 0 H LYS A 78 12.051 28.778 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 78 14.807 29.015 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.306 29.405 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.556 30.524 -10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.880 28.053 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.315 27.653 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.715 30.050 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.397 28.481 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.818 28.169 -13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.576 28.230 -12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.199 29.890 -14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.515 30.648 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.719 30.589 -13.881 1.00 0.00 H new ATOM 1147 N GLY A 79 15.382 31.233 -7.143 1.00 0.00 N ATOM 1148 CA GLY A 79 15.818 32.560 -6.751 1.00 0.00 C ATOM 1149 C GLY A 79 15.525 32.859 -5.294 1.00 0.00 C ATOM 1150 O GLY A 79 15.651 34.001 -4.849 1.00 0.00 O ATOM 0 H GLY A 79 15.990 30.474 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.889 32.655 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.323 33.302 -7.378 1.00 0.00 H new ATOM 1154 N LYS A 80 15.133 31.832 -4.548 1.00 0.00 N ATOM 1155 CA LYS A 80 14.821 31.989 -3.132 1.00 0.00 C ATOM 1156 C LYS A 80 15.863 31.290 -2.265 1.00 0.00 C ATOM 1157 O LYS A 80 16.542 30.368 -2.716 1.00 0.00 O ATOM 1158 CB LYS A 80 13.430 31.427 -2.830 1.00 0.00 C ATOM 1159 CG LYS A 80 12.486 32.442 -2.207 1.00 0.00 C ATOM 1160 CD LYS A 80 11.844 33.327 -3.262 1.00 0.00 C ATOM 1161 CE LYS A 80 10.607 34.029 -2.721 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.564 35.463 -3.122 1.00 0.00 N ATOM 0 H LYS A 80 15.024 30.881 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 80 14.834 33.054 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.990 31.053 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.530 30.575 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.710 31.922 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.033 33.061 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.565 34.069 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.572 32.724 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.713 33.523 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.594 33.955 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.707 35.906 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.404 35.952 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.551 35.533 -4.160 1.00 0.00 H new ATOM 1176 N SER A 81 15.982 31.734 -1.018 1.00 0.00 N ATOM 1177 CA SER A 81 16.943 31.152 -0.088 1.00 0.00 C ATOM 1178 C SER A 81 16.420 29.836 0.481 1.00 0.00 C ATOM 1179 O SER A 81 15.295 29.426 0.193 1.00 0.00 O ATOM 1180 CB SER A 81 17.240 32.130 1.050 1.00 0.00 C ATOM 1181 OG SER A 81 16.100 32.319 1.871 1.00 0.00 O ATOM 0 H SER A 81 15.425 32.495 -0.628 1.00 0.00 H new ATOM 0 HA SER A 81 17.864 30.951 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.067 31.752 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.558 33.088 0.637 1.00 0.00 H new ATOM 0 HG SER A 81 16.316 32.947 2.592 1.00 0.00 H new ATOM 1187 N LEU A 82 17.244 29.179 1.289 1.00 0.00 N ATOM 1188 CA LEU A 82 16.867 27.909 1.899 1.00 0.00 C ATOM 1189 C LEU A 82 15.730 28.102 2.898 1.00 0.00 C ATOM 1190 O LEU A 82 14.776 27.324 2.925 1.00 0.00 O ATOM 1191 CB LEU A 82 18.073 27.278 2.598 1.00 0.00 C ATOM 1192 CG LEU A 82 19.377 27.261 1.800 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.545 26.878 2.696 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.270 26.304 0.622 1.00 0.00 C ATOM 0 H LEU A 82 18.178 29.505 1.537 1.00 0.00 H new ATOM 0 HA LEU A 82 16.523 27.242 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.248 27.813 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.819 26.252 2.862 1.00 0.00 H new ATOM 0 HG LEU A 82 19.556 28.264 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.465 26.871 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.635 27.602 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.373 25.886 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.207 26.305 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.067 25.298 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.459 26.623 -0.033 1.00 0.00 H new ATOM 1206 N ASP A 83 15.837 29.143 3.715 1.00 0.00 N ATOM 1207 CA ASP A 83 14.816 29.440 4.713 1.00 0.00 C ATOM 1208 C ASP A 83 13.533 29.931 4.049 1.00 0.00 C ATOM 1209 O ASP A 83 12.432 29.583 4.472 1.00 0.00 O ATOM 1210 CB ASP A 83 15.328 30.490 5.700 1.00 0.00 C ATOM 1211 CG ASP A 83 16.071 29.872 6.869 1.00 0.00 C ATOM 1212 OD1 ASP A 83 16.950 29.019 6.629 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.773 30.243 8.023 1.00 0.00 O ATOM 0 H ASP A 83 16.621 29.796 3.706 1.00 0.00 H new ATOM 0 HA ASP A 83 14.594 28.521 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.989 31.183 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.487 31.073 6.075 1.00 0.00 H new ATOM 1218 N GLU A 84 13.686 30.743 3.007 1.00 0.00 N ATOM 1219 CA GLU A 84 12.539 31.283 2.287 1.00 0.00 C ATOM 1220 C GLU A 84 11.621 30.162 1.807 1.00 0.00 C ATOM 1221 O GLU A 84 10.440 30.123 2.152 1.00 0.00 O ATOM 1222 CB GLU A 84 13.006 32.120 1.094 1.00 0.00 C ATOM 1223 CG GLU A 84 13.354 33.554 1.456 1.00 0.00 C ATOM 1224 CD GLU A 84 12.136 34.371 1.843 1.00 0.00 C ATOM 1225 OE1 GLU A 84 11.204 34.472 1.019 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.117 34.908 2.970 1.00 0.00 O ATOM 0 H GLU A 84 14.591 31.041 2.644 1.00 0.00 H new ATOM 0 HA GLU A 84 11.979 31.920 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.879 31.645 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.223 32.125 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.064 33.554 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.851 34.028 0.609 1.00 0.00 H new ATOM 1233 N ALA A 85 12.173 29.254 1.009 1.00 0.00 N ATOM 1234 CA ALA A 85 11.405 28.132 0.483 1.00 0.00 C ATOM 1235 C ALA A 85 10.928 27.218 1.607 1.00 0.00 C ATOM 1236 O ALA A 85 9.798 26.730 1.584 1.00 0.00 O ATOM 1237 CB ALA A 85 12.237 27.348 -0.521 1.00 0.00 C ATOM 0 H ALA A 85 13.149 29.273 0.713 1.00 0.00 H new ATOM 0 HA ALA A 85 10.526 28.531 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.651 26.513 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.523 28.001 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.134 26.967 -0.032 1.00 0.00 H new ATOM 1243 N GLN A 86 11.796 26.991 2.587 1.00 0.00 N ATOM 1244 CA GLN A 86 11.462 26.134 3.719 1.00 0.00 C ATOM 1245 C GLN A 86 10.328 26.736 4.542 1.00 0.00 C ATOM 1246 O GLN A 86 9.618 26.025 5.251 1.00 0.00 O ATOM 1247 CB GLN A 86 12.692 25.920 4.603 1.00 0.00 C ATOM 1248 CG GLN A 86 12.504 24.837 5.654 1.00 0.00 C ATOM 1249 CD GLN A 86 12.754 25.341 7.062 1.00 0.00 C ATOM 1250 OE1 GLN A 86 11.982 25.061 7.979 1.00 0.00 O ATOM 1251 NE2 GLN A 86 13.837 26.088 7.240 1.00 0.00 N ATOM 0 H GLN A 86 12.735 27.388 2.620 1.00 0.00 H new ATOM 0 HA GLN A 86 11.131 25.171 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.542 25.659 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.940 26.858 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.490 24.444 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.181 24.009 5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.449 26.295 6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.057 26.455 8.166 1.00 0.00 H new ATOM 1260 N ALA A 87 10.165 28.051 4.442 1.00 0.00 N ATOM 1261 CA ALA A 87 9.116 28.749 5.176 1.00 0.00 C ATOM 1262 C ALA A 87 7.764 28.583 4.491 1.00 0.00 C ATOM 1263 O ALA A 87 6.716 28.750 5.117 1.00 0.00 O ATOM 1264 CB ALA A 87 9.462 30.224 5.317 1.00 0.00 C ATOM 0 H ALA A 87 10.746 28.655 3.860 1.00 0.00 H new ATOM 0 HA ALA A 87 9.047 28.308 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.670 30.733 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.403 30.327 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.561 30.671 4.328 1.00 0.00 H new ATOM 1270 N ILE A 88 7.794 28.255 3.204 1.00 0.00 N ATOM 1271 CA ILE A 88 6.570 28.067 2.435 1.00 0.00 C ATOM 1272 C ILE A 88 5.612 27.120 3.149 1.00 0.00 C ATOM 1273 O ILE A 88 6.018 26.073 3.655 1.00 0.00 O ATOM 1274 CB ILE A 88 6.868 27.514 1.029 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.778 28.476 0.261 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.572 27.279 0.266 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.124 27.997 -1.132 1.00 0.00 C ATOM 0 H ILE A 88 8.653 28.114 2.672 1.00 0.00 H new ATOM 0 HA ILE A 88 6.104 29.048 2.340 1.00 0.00 H new ATOM 0 HB ILE A 88 7.384 26.559 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.290 29.448 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.699 28.621 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.799 26.888 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.957 26.560 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.031 28.220 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.771 28.727 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.641 27.039 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.210 27.879 -1.714 1.00 0.00 H new ATOM 1289 N LYS A 89 4.338 27.492 3.185 1.00 0.00 N ATOM 1290 CA LYS A 89 3.319 26.675 3.834 1.00 0.00 C ATOM 1291 C LYS A 89 2.318 26.142 2.815 1.00 0.00 C ATOM 1292 O LYS A 89 1.955 26.835 1.866 1.00 0.00 O ATOM 1293 CB LYS A 89 2.588 27.490 4.904 1.00 0.00 C ATOM 1294 CG LYS A 89 3.331 27.562 6.227 1.00 0.00 C ATOM 1295 CD LYS A 89 3.933 28.939 6.454 1.00 0.00 C ATOM 1296 CE LYS A 89 4.936 28.926 7.597 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.271 29.073 8.921 1.00 0.00 N ATOM 0 H LYS A 89 3.985 28.355 2.772 1.00 0.00 H new ATOM 0 HA LYS A 89 3.816 25.828 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.427 28.502 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.604 27.053 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.648 27.323 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.121 26.811 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.424 29.278 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.139 29.653 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.499 27.993 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.654 29.735 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.989 29.059 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.754 29.975 8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.605 28.287 9.064 1.00 0.00 H new ATOM 1311 N ASN A 90 1.875 24.905 3.018 1.00 0.00 N ATOM 1312 CA ASN A 90 0.915 24.279 2.117 1.00 0.00 C ATOM 1313 C ASN A 90 -0.274 25.201 1.863 1.00 0.00 C ATOM 1314 O ASN A 90 -0.803 25.259 0.752 1.00 0.00 O ATOM 1315 CB ASN A 90 0.429 22.950 2.698 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.352 23.133 3.985 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -1.654 23.365 3.858 1.00 0.00 O flip ATOM 1318 ND2 ASN A 90 0.207 23.067 5.079 1.00 0.00 N flip ATOM 0 H ASN A 90 2.166 24.317 3.799 1.00 0.00 H new ATOM 0 HA ASN A 90 1.416 24.091 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.198 22.444 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.286 22.303 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.210 22.887 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.332 23.192 5.936 1.00 0.00 H new ATOM 1325 N THR A 91 -0.690 25.921 2.900 1.00 0.00 N ATOM 1326 CA THR A 91 -1.816 26.839 2.791 1.00 0.00 C ATOM 1327 C THR A 91 -1.642 27.783 1.606 1.00 0.00 C ATOM 1328 O THR A 91 -2.605 28.102 0.908 1.00 0.00 O ATOM 1329 CB THR A 91 -1.989 27.672 4.075 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.089 28.576 3.928 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.722 28.453 4.388 1.00 0.00 C ATOM 0 H THR A 91 -0.263 25.886 3.826 1.00 0.00 H new ATOM 0 HA THR A 91 -2.707 26.230 2.640 1.00 0.00 H new ATOM 0 HB THR A 91 -2.189 26.989 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.193 29.101 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.868 29.034 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.107 27.760 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.496 29.126 3.561 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.410 28.227 1.385 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.110 29.134 0.283 1.00 0.00 C ATOM 1341 C ASP A 92 -0.251 28.423 -1.059 1.00 0.00 C ATOM 1342 O ASP A 92 -0.746 28.998 -2.029 1.00 0.00 O ATOM 1343 CB ASP A 92 1.304 29.698 0.429 1.00 0.00 C ATOM 1344 CG ASP A 92 1.347 31.203 0.253 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.776 31.918 1.104 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.953 31.667 -0.735 1.00 0.00 O ATOM 0 H ASP A 92 0.398 27.974 1.954 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.826 29.956 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.696 29.439 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.957 29.230 -0.308 1.00 0.00 H new ATOM 1351 N ILE A 93 0.189 27.170 -1.109 1.00 0.00 N ATOM 1352 CA ILE A 93 0.112 26.381 -2.332 1.00 0.00 C ATOM 1353 C ILE A 93 -1.320 25.936 -2.610 1.00 0.00 C ATOM 1354 O ILE A 93 -1.691 25.683 -3.756 1.00 0.00 O ATOM 1355 CB ILE A 93 1.019 25.138 -2.259 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.486 25.557 -2.137 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.813 24.259 -3.483 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.911 25.866 -0.719 1.00 0.00 C ATOM 0 H ILE A 93 0.603 26.679 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 93 0.455 27.023 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 93 0.750 24.562 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.117 24.760 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.657 26.436 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.461 23.385 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.227 23.937 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.058 24.824 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.962 26.156 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.306 26.684 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.772 24.982 -0.097 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.121 25.844 -1.553 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.513 25.434 -1.684 1.00 0.00 C ATOM 1372 C ALA A 94 -4.363 26.554 -2.274 1.00 0.00 C ATOM 1373 O ALA A 94 -5.139 26.333 -3.202 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.066 25.006 -0.332 1.00 0.00 C ATOM 0 H ALA A 94 -1.829 26.048 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.553 24.585 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.107 24.702 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.483 24.169 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.005 25.840 0.367 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.210 27.757 -1.728 1.00 0.00 N ATOM 1381 CA GLU A 95 -4.965 28.911 -2.201 1.00 0.00 C ATOM 1382 C GLU A 95 -4.363 29.465 -3.489 1.00 0.00 C ATOM 1383 O GLU A 95 -5.054 30.098 -4.287 1.00 0.00 O ATOM 1384 CB GLU A 95 -4.996 30.003 -1.129 1.00 0.00 C ATOM 1385 CG GLU A 95 -3.630 30.595 -0.825 1.00 0.00 C ATOM 1386 CD GLU A 95 -3.494 32.026 -1.308 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -3.821 32.948 -0.533 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -3.060 32.223 -2.463 1.00 0.00 O ATOM 0 H GLU A 95 -3.571 27.957 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.985 28.585 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.664 30.800 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.416 29.589 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.454 30.560 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.860 29.982 -1.294 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.071 29.221 -3.684 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.376 29.696 -4.875 1.00 0.00 C ATOM 1397 C GLU A 96 -3.127 29.293 -6.141 1.00 0.00 C ATOM 1398 O GLU A 96 -3.317 30.103 -7.049 1.00 0.00 O ATOM 1399 CB GLU A 96 -0.950 29.142 -4.915 1.00 0.00 C ATOM 1400 CG GLU A 96 0.112 30.169 -4.559 1.00 0.00 C ATOM 1401 CD GLU A 96 0.161 31.322 -5.542 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.292 31.143 -6.692 1.00 0.00 O ATOM 1403 OE2 GLU A 96 0.654 32.405 -5.161 1.00 0.00 O ATOM 0 H GLU A 96 -2.485 28.698 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.334 30.784 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.876 28.301 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.748 28.754 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.084 30.557 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.087 29.682 -4.527 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.550 28.035 -6.194 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.280 27.522 -7.348 1.00 0.00 C ATOM 1412 C LEU A 97 -5.664 27.026 -6.941 1.00 0.00 C ATOM 1413 O LEU A 97 -6.427 26.535 -7.773 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.495 26.388 -8.010 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.041 26.699 -8.369 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.174 25.461 -8.204 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.946 27.234 -9.791 1.00 0.00 C ATOM 0 H LEU A 97 -3.400 27.352 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.401 28.337 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.507 25.526 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.018 26.094 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.675 27.467 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.143 25.701 -8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.218 25.122 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.539 24.671 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.905 27.450 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.331 26.488 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.535 28.147 -9.876 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.982 27.161 -5.658 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.275 26.729 -5.142 1.00 0.00 C ATOM 1431 C GLU A 98 -7.572 25.290 -5.554 1.00 0.00 C ATOM 1432 O GLU A 98 -8.547 25.022 -6.257 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.385 27.654 -5.644 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.339 29.046 -5.038 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.709 29.690 -4.949 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.247 30.085 -6.004 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.242 29.799 -3.825 1.00 0.00 O ATOM 0 H GLU A 98 -5.362 27.566 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.237 26.777 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.314 27.737 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.351 27.202 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.903 28.990 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.683 29.677 -5.637 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.723 24.367 -5.113 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.893 22.955 -5.436 1.00 0.00 C ATOM 1446 C LEU A 99 -8.305 22.485 -5.101 1.00 0.00 C ATOM 1447 O LEU A 99 -8.988 23.052 -4.247 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.869 22.111 -4.675 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.710 21.554 -5.503 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -3.833 22.684 -6.022 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.888 20.574 -4.679 1.00 0.00 C ATOM 0 H LEU A 99 -5.911 24.572 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.734 22.831 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.455 22.717 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.391 21.275 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.124 21.020 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.014 22.269 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.428 23.348 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.428 23.246 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.068 20.188 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.484 21.083 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.522 19.748 -4.358 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.754 21.424 -5.787 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.088 20.852 -5.577 1.00 0.00 C ATOM 1465 C PRO A 100 -10.215 20.157 -4.226 1.00 0.00 C ATOM 1466 O PRO A 100 -9.233 19.692 -3.645 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.222 19.838 -6.716 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.821 19.466 -7.058 1.00 0.00 C ATOM 1469 CD PRO A 100 -7.994 20.699 -6.819 1.00 0.00 C ATOM 0 HA PRO A 100 -10.864 21.617 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.798 18.967 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.737 20.271 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.475 18.638 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.746 19.141 -8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.990 20.449 -6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.884 21.291 -7.727 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.451 20.081 -3.712 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.736 19.443 -2.424 1.00 0.00 C ATOM 1479 C PRO A 101 -11.559 17.929 -2.476 1.00 0.00 C ATOM 1480 O PRO A 101 -11.612 17.252 -1.449 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.201 19.802 -2.166 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.779 20.033 -3.519 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.668 20.613 -4.350 1.00 0.00 C ATOM 0 HA PRO A 101 -11.057 19.782 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.720 18.997 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.286 20.692 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.145 19.102 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.627 20.716 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.743 20.304 -5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.684 21.703 -4.338 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.349 17.403 -3.678 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.162 15.969 -3.864 1.00 0.00 C ATOM 1493 C VAL A 102 -10.041 15.441 -2.976 1.00 0.00 C ATOM 1494 O VAL A 102 -10.256 14.566 -2.138 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.844 15.630 -5.332 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -10.569 14.142 -5.489 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -11.983 16.068 -6.239 1.00 0.00 C ATOM 0 H VAL A 102 -11.304 17.949 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.099 15.489 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.946 16.174 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.346 13.921 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.717 13.862 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.446 13.575 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.741 15.821 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.899 15.553 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.127 17.145 -6.148 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.841 15.979 -3.166 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.683 15.565 -2.383 1.00 0.00 C ATOM 1509 C LYS A 103 -6.765 16.750 -2.100 1.00 0.00 C ATOM 1510 O LYS A 103 -5.696 16.875 -2.697 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.908 14.470 -3.119 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.906 13.739 -2.242 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.476 12.433 -1.715 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.120 11.264 -2.621 1.00 0.00 C ATOM 1515 NZ LYS A 103 -6.273 9.957 -1.924 1.00 0.00 N ATOM 0 H LYS A 103 -8.645 16.704 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.042 15.171 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.615 13.748 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.382 14.914 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.000 13.537 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.620 14.376 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.094 12.247 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.560 12.514 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.758 11.282 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.092 11.373 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.021 9.185 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.645 9.930 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.259 9.842 -1.615 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.189 17.616 -1.185 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.403 18.788 -0.822 1.00 0.00 C ATOM 1531 C ILE A 104 -4.967 18.405 -0.483 1.00 0.00 C ATOM 1532 O ILE A 104 -4.047 19.212 -0.623 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.021 19.531 0.378 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.454 19.960 0.057 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.172 20.737 0.749 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.545 20.974 -1.061 1.00 0.00 C ATOM 0 H ILE A 104 -8.072 17.528 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.405 19.449 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.047 18.853 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.036 19.079 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.909 20.379 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.622 21.251 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.168 20.407 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.117 21.418 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.590 21.232 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.991 21.871 -0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.120 20.551 -1.971 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.780 17.166 -0.038 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.455 16.673 0.319 1.00 0.00 C ATOM 1550 C HIS A 105 -2.482 16.838 -0.845 1.00 0.00 C ATOM 1551 O HIS A 105 -1.267 16.884 -0.649 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.528 15.203 0.733 1.00 0.00 C ATOM 1553 CG HIS A 105 -3.141 14.962 2.159 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.117 15.641 2.786 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -3.647 14.112 3.082 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -2.009 15.217 4.032 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -2.927 14.289 4.238 1.00 0.00 N ATOM 0 H HIS A 105 -5.530 16.485 0.084 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.091 17.262 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.543 14.840 0.574 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.875 14.619 0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.465 13.422 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.292 15.569 4.759 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -3.076 13.786 5.113 1.00 0.00 H new ATOM 1565 N CYS A 106 -3.024 16.927 -2.054 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.204 17.085 -3.250 1.00 0.00 C ATOM 1567 C CYS A 106 -1.373 18.362 -3.174 1.00 0.00 C ATOM 1568 O CYS A 106 -0.352 18.491 -3.849 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.087 17.111 -4.499 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.360 15.485 -5.243 1.00 0.00 S ATOM 0 H CYS A 106 -4.028 16.892 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.526 16.234 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.052 17.547 -4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.630 17.766 -5.241 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.119 15.609 -6.291 1.00 0.00 H new ATOM 1576 N SER A 107 -1.818 19.303 -2.348 1.00 0.00 N ATOM 1577 CA SER A 107 -1.118 20.572 -2.188 1.00 0.00 C ATOM 1578 C SER A 107 -0.086 20.486 -1.067 1.00 0.00 C ATOM 1579 O SER A 107 0.942 21.163 -1.102 1.00 0.00 O ATOM 1580 CB SER A 107 -2.115 21.695 -1.892 1.00 0.00 C ATOM 1581 OG SER A 107 -2.192 21.956 -0.502 1.00 0.00 O ATOM 0 H SER A 107 -2.660 19.211 -1.779 1.00 0.00 H new ATOM 0 HA SER A 107 -0.599 20.792 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.814 22.601 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.100 21.419 -2.268 1.00 0.00 H new ATOM 0 HG SER A 107 -2.743 21.270 -0.070 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.368 19.648 -0.075 1.00 0.00 N ATOM 1588 CA ILE A 108 0.535 19.472 1.055 1.00 0.00 C ATOM 1589 C ILE A 108 1.862 18.865 0.609 1.00 0.00 C ATOM 1590 O ILE A 108 2.903 19.102 1.223 1.00 0.00 O ATOM 1591 CB ILE A 108 -0.088 18.573 2.139 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -1.514 19.031 2.454 1.00 0.00 C ATOM 1593 CG2 ILE A 108 0.768 18.588 3.396 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.601 20.474 2.899 1.00 0.00 C ATOM 0 H ILE A 108 -1.214 19.081 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 108 0.713 20.463 1.474 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.129 17.551 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.135 18.894 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.928 18.393 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.314 17.948 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.767 18.220 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.837 19.607 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.641 20.729 3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.007 20.612 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.218 21.122 2.110 1.00 0.00 H new ATOM 1606 N LEU A 109 1.817 18.084 -0.465 1.00 0.00 N ATOM 1607 CA LEU A 109 3.016 17.444 -0.996 1.00 0.00 C ATOM 1608 C LEU A 109 3.862 18.441 -1.781 1.00 0.00 C ATOM 1609 O LEU A 109 5.059 18.233 -1.981 1.00 0.00 O ATOM 1610 CB LEU A 109 2.634 16.264 -1.891 1.00 0.00 C ATOM 1611 CG LEU A 109 1.846 15.140 -1.220 1.00 0.00 C ATOM 1612 CD1 LEU A 109 1.710 13.950 -2.157 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.515 14.722 0.082 1.00 0.00 C ATOM 0 H LEU A 109 0.964 17.879 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 109 3.606 17.078 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.046 16.643 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.547 15.841 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 109 0.847 15.511 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.146 13.160 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.186 14.257 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.701 13.579 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.940 13.921 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.526 14.370 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.559 15.575 0.759 1.00 0.00 H new ATOM 1625 N ALA A 110 3.233 19.525 -2.223 1.00 0.00 N ATOM 1626 CA ALA A 110 3.929 20.556 -2.983 1.00 0.00 C ATOM 1627 C ALA A 110 4.963 21.270 -2.119 1.00 0.00 C ATOM 1628 O ALA A 110 6.107 21.458 -2.533 1.00 0.00 O ATOM 1629 CB ALA A 110 2.933 21.555 -3.552 1.00 0.00 C ATOM 0 H ALA A 110 2.242 19.712 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 110 4.454 20.073 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.467 22.319 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.235 21.038 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.383 22.025 -2.737 1.00 0.00 H new ATOM 1635 N GLU A 111 4.552 21.667 -0.919 1.00 0.00 N ATOM 1636 CA GLU A 111 5.444 22.363 0.002 1.00 0.00 C ATOM 1637 C GLU A 111 6.457 21.398 0.611 1.00 0.00 C ATOM 1638 O GLU A 111 7.525 21.809 1.066 1.00 0.00 O ATOM 1639 CB GLU A 111 4.639 23.042 1.112 1.00 0.00 C ATOM 1640 CG GLU A 111 3.698 22.100 1.844 1.00 0.00 C ATOM 1641 CD GLU A 111 3.734 22.293 3.348 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.100 23.399 3.796 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.397 21.336 4.076 1.00 0.00 O ATOM 0 H GLU A 111 3.608 21.519 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 111 5.985 23.123 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.329 23.484 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.060 23.859 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.681 22.257 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.964 21.070 1.607 1.00 0.00 H new ATOM 1650 N ASP A 112 6.114 20.115 0.616 1.00 0.00 N ATOM 1651 CA ASP A 112 6.994 19.091 1.168 1.00 0.00 C ATOM 1652 C ASP A 112 8.065 18.691 0.158 1.00 0.00 C ATOM 1653 O ASP A 112 9.245 18.602 0.493 1.00 0.00 O ATOM 1654 CB ASP A 112 6.183 17.862 1.583 1.00 0.00 C ATOM 1655 CG ASP A 112 5.636 17.977 2.992 1.00 0.00 C ATOM 1656 OD1 ASP A 112 4.876 18.932 3.256 1.00 0.00 O ATOM 1657 OD2 ASP A 112 5.968 17.114 3.831 1.00 0.00 O ATOM 0 H ASP A 112 5.233 19.759 0.244 1.00 0.00 H new ATOM 0 HA ASP A 112 7.487 19.506 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.357 17.724 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.812 16.975 1.512 1.00 0.00 H new ATOM 1662 N ALA A 113 7.644 18.451 -1.079 1.00 0.00 N ATOM 1663 CA ALA A 113 8.567 18.062 -2.138 1.00 0.00 C ATOM 1664 C ALA A 113 9.734 19.039 -2.235 1.00 0.00 C ATOM 1665 O ALA A 113 10.890 18.631 -2.348 1.00 0.00 O ATOM 1666 CB ALA A 113 7.836 17.976 -3.470 1.00 0.00 C ATOM 0 H ALA A 113 6.670 18.519 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 113 8.969 17.079 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.537 17.685 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.040 17.234 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.406 18.948 -3.712 1.00 0.00 H new ATOM 1672 N ILE A 114 9.423 20.331 -2.192 1.00 0.00 N ATOM 1673 CA ILE A 114 10.447 21.365 -2.274 1.00 0.00 C ATOM 1674 C ILE A 114 11.382 21.311 -1.071 1.00 0.00 C ATOM 1675 O ILE A 114 12.589 21.518 -1.198 1.00 0.00 O ATOM 1676 CB ILE A 114 9.822 22.770 -2.362 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.918 23.026 -1.154 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.039 22.922 -3.657 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.176 24.342 -1.222 1.00 0.00 C ATOM 0 H ILE A 114 8.471 20.686 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 114 11.018 21.172 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 114 10.623 23.509 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.195 22.214 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.523 23.006 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.604 23.920 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.708 22.778 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.244 22.177 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.555 24.456 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.893 25.162 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.544 24.358 -2.110 1.00 0.00 H new ATOM 1691 N LYS A 115 10.817 21.029 0.098 1.00 0.00 N ATOM 1692 CA LYS A 115 11.599 20.944 1.326 1.00 0.00 C ATOM 1693 C LYS A 115 12.616 19.810 1.245 1.00 0.00 C ATOM 1694 O LYS A 115 13.783 19.984 1.595 1.00 0.00 O ATOM 1695 CB LYS A 115 10.677 20.732 2.529 1.00 0.00 C ATOM 1696 CG LYS A 115 9.804 21.934 2.846 1.00 0.00 C ATOM 1697 CD LYS A 115 10.398 22.775 3.963 1.00 0.00 C ATOM 1698 CE LYS A 115 10.288 22.073 5.308 1.00 0.00 C ATOM 1699 NZ LYS A 115 8.875 21.965 5.763 1.00 0.00 N ATOM 0 H LYS A 115 9.819 20.855 0.221 1.00 0.00 H new ATOM 0 HA LYS A 115 12.137 21.884 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.038 19.870 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.283 20.493 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.687 22.546 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.808 21.596 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.445 22.984 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.884 23.735 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.723 21.076 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.868 22.620 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.853 21.737 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.388 22.870 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.395 21.213 5.229 1.00 0.00 H new ATOM 1713 N ALA A 116 12.165 18.649 0.781 1.00 0.00 N ATOM 1714 CA ALA A 116 13.037 17.488 0.651 1.00 0.00 C ATOM 1715 C ALA A 116 14.305 17.837 -0.121 1.00 0.00 C ATOM 1716 O ALA A 116 15.358 17.238 0.093 1.00 0.00 O ATOM 1717 CB ALA A 116 12.298 16.347 -0.031 1.00 0.00 C ATOM 0 H ALA A 116 11.201 18.488 0.489 1.00 0.00 H new ATOM 0 HA ALA A 116 13.329 17.170 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.961 15.487 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.426 16.072 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.977 16.663 -1.023 1.00 0.00 H new ATOM 1723 N ALA A 117 14.195 18.808 -1.021 1.00 0.00 N ATOM 1724 CA ALA A 117 15.333 19.237 -1.825 1.00 0.00 C ATOM 1725 C ALA A 117 16.297 20.086 -1.003 1.00 0.00 C ATOM 1726 O ALA A 117 17.514 19.939 -1.110 1.00 0.00 O ATOM 1727 CB ALA A 117 14.856 20.010 -3.046 1.00 0.00 C ATOM 0 H ALA A 117 13.329 19.313 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 117 15.867 18.347 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.716 20.324 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.213 19.372 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.296 20.889 -2.725 1.00 0.00 H new ATOM 1733 N ILE A 118 15.744 20.974 -0.183 1.00 0.00 N ATOM 1734 CA ILE A 118 16.555 21.847 0.657 1.00 0.00 C ATOM 1735 C ILE A 118 17.449 21.036 1.589 1.00 0.00 C ATOM 1736 O ILE A 118 18.587 21.416 1.861 1.00 0.00 O ATOM 1737 CB ILE A 118 15.679 22.792 1.498 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.851 23.702 0.588 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.543 23.620 2.438 1.00 0.00 C ATOM 1740 CD1 ILE A 118 13.972 24.674 1.342 1.00 0.00 C ATOM 0 H ILE A 118 14.738 21.108 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 118 17.176 22.442 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 118 14.996 22.191 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.524 24.262 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.226 23.085 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.909 24.283 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.092 22.957 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.248 24.214 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.415 25.286 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.274 24.121 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.593 25.317 1.967 1.00 0.00 H new ATOM 1752 N ALA A 119 16.925 19.915 2.074 1.00 0.00 N ATOM 1753 CA ALA A 119 17.677 19.047 2.973 1.00 0.00 C ATOM 1754 C ALA A 119 18.816 18.350 2.238 1.00 0.00 C ATOM 1755 O ALA A 119 19.955 18.338 2.706 1.00 0.00 O ATOM 1756 CB ALA A 119 16.752 18.022 3.612 1.00 0.00 C ATOM 0 H ALA A 119 15.983 19.587 1.860 1.00 0.00 H new ATOM 0 HA ALA A 119 18.112 19.666 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.326 17.381 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.976 18.536 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.290 17.414 2.834 1.00 0.00 H new ATOM 1762 N ASP A 120 18.502 17.768 1.085 1.00 0.00 N ATOM 1763 CA ASP A 120 19.500 17.068 0.285 1.00 0.00 C ATOM 1764 C ASP A 120 20.716 17.955 0.035 1.00 0.00 C ATOM 1765 O ASP A 120 21.843 17.469 -0.057 1.00 0.00 O ATOM 1766 CB ASP A 120 18.895 16.623 -1.047 1.00 0.00 C ATOM 1767 CG ASP A 120 19.228 15.182 -1.382 1.00 0.00 C ATOM 1768 OD1 ASP A 120 20.281 14.695 -0.921 1.00 0.00 O ATOM 1769 OD2 ASP A 120 18.436 14.542 -2.105 1.00 0.00 O ATOM 0 H ASP A 120 17.564 17.767 0.684 1.00 0.00 H new ATOM 0 HA ASP A 120 19.823 16.188 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.812 16.743 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.260 17.272 -1.843 1.00 0.00 H new ATOM 1774 N TYR A 121 20.478 19.258 -0.075 1.00 0.00 N ATOM 1775 CA TYR A 121 21.553 20.213 -0.318 1.00 0.00 C ATOM 1776 C TYR A 121 22.494 20.291 0.880 1.00 0.00 C ATOM 1777 O TYR A 121 23.706 20.120 0.746 1.00 0.00 O ATOM 1778 CB TYR A 121 20.976 21.597 -0.618 1.00 0.00 C ATOM 1779 CG TYR A 121 22.016 22.694 -0.648 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.203 22.533 -1.353 1.00 0.00 C ATOM 1781 CD2 TYR A 121 21.814 23.889 0.030 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.157 23.532 -1.383 1.00 0.00 C ATOM 1783 CE2 TYR A 121 22.761 24.894 0.005 1.00 0.00 C ATOM 1784 CZ TYR A 121 23.931 24.711 -0.702 1.00 0.00 C ATOM 1785 OH TYR A 121 24.878 25.709 -0.728 1.00 0.00 O ATOM 0 H TYR A 121 19.551 19.676 0.000 1.00 0.00 H new ATOM 0 HA TYR A 121 22.122 19.869 -1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.464 21.567 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.226 21.840 0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.383 21.611 -1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 121 20.900 24.035 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.074 23.391 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 121 22.586 25.818 0.536 1.00 0.00 H new ATOM 0 HH TYR A 121 24.632 26.376 -1.403 1.00 0.00 H new ATOM 1795 N LYS A 122 21.927 20.549 2.053 1.00 0.00 N ATOM 1796 CA LYS A 122 22.712 20.648 3.278 1.00 0.00 C ATOM 1797 C LYS A 122 23.498 19.365 3.526 1.00 0.00 C ATOM 1798 O LYS A 122 24.512 19.372 4.223 1.00 0.00 O ATOM 1799 CB LYS A 122 21.799 20.939 4.472 1.00 0.00 C ATOM 1800 CG LYS A 122 20.867 22.118 4.252 1.00 0.00 C ATOM 1801 CD LYS A 122 20.178 22.532 5.541 1.00 0.00 C ATOM 1802 CE LYS A 122 18.673 22.325 5.461 1.00 0.00 C ATOM 1803 NZ LYS A 122 18.061 22.173 6.810 1.00 0.00 N ATOM 0 H LYS A 122 20.926 20.694 2.182 1.00 0.00 H new ATOM 0 HA LYS A 122 23.419 21.469 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.204 20.052 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.414 21.132 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.432 22.961 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.117 21.856 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.582 21.954 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.391 23.581 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.217 23.172 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.460 21.439 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.035 22.034 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 18.478 21.350 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 18.242 23.029 7.372 1.00 0.00 H new ATOM 1817 N SER A 123 23.023 18.265 2.951 1.00 0.00 N ATOM 1818 CA SER A 123 23.680 16.973 3.111 1.00 0.00 C ATOM 1819 C SER A 123 24.834 16.824 2.124 1.00 0.00 C ATOM 1820 O SER A 123 25.734 16.007 2.321 1.00 0.00 O ATOM 1821 CB SER A 123 22.674 15.837 2.914 1.00 0.00 C ATOM 1822 OG SER A 123 23.308 14.573 3.008 1.00 0.00 O ATOM 0 H SER A 123 22.185 18.243 2.370 1.00 0.00 H new ATOM 0 HA SER A 123 24.082 16.921 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.887 15.909 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.195 15.936 1.940 1.00 0.00 H new ATOM 0 HG SER A 123 22.644 13.864 2.880 1.00 0.00 H new ATOM 1828 N LYS A 124 24.800 17.620 1.061 1.00 0.00 N ATOM 1829 CA LYS A 124 25.842 17.579 0.041 1.00 0.00 C ATOM 1830 C LYS A 124 27.136 18.196 0.562 1.00 0.00 C ATOM 1831 O LYS A 124 28.230 17.797 0.162 1.00 0.00 O ATOM 1832 CB LYS A 124 25.382 18.318 -1.217 1.00 0.00 C ATOM 1833 CG LYS A 124 25.733 17.599 -2.508 1.00 0.00 C ATOM 1834 CD LYS A 124 24.679 16.568 -2.876 1.00 0.00 C ATOM 1835 CE LYS A 124 25.297 15.359 -3.561 1.00 0.00 C ATOM 1836 NZ LYS A 124 25.728 15.671 -4.952 1.00 0.00 N ATOM 0 H LYS A 124 24.062 18.302 0.883 1.00 0.00 H new ATOM 0 HA LYS A 124 26.032 16.535 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.302 18.458 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 124 25.832 19.311 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.830 18.325 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 124 26.701 17.109 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 124 24.152 16.248 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.939 17.022 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 124 26.155 15.013 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.575 14.543 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.144 14.822 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.905 15.977 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 26.436 16.432 -4.933 1.00 0.00 H new ATOM 1850 N ARG A 125 27.004 19.170 1.456 1.00 0.00 N ATOM 1851 CA ARG A 125 28.164 19.842 2.031 1.00 0.00 C ATOM 1852 C ARG A 125 28.471 19.299 3.424 1.00 0.00 C ATOM 1853 O ARG A 125 29.461 19.683 4.045 1.00 0.00 O ATOM 1854 CB ARG A 125 27.923 21.351 2.101 1.00 0.00 C ATOM 1855 CG ARG A 125 26.676 21.733 2.883 1.00 0.00 C ATOM 1856 CD ARG A 125 27.025 22.506 4.145 1.00 0.00 C ATOM 1857 NE ARG A 125 25.874 23.227 4.681 1.00 0.00 N ATOM 1858 CZ ARG A 125 25.441 24.385 4.196 1.00 0.00 C ATOM 1859 NH1 ARG A 125 26.060 24.951 3.169 1.00 0.00 N ATOM 1860 NH2 ARG A 125 24.386 24.980 4.738 1.00 0.00 N ATOM 0 H ARG A 125 26.106 19.512 1.798 1.00 0.00 H new ATOM 0 HA ARG A 125 29.022 19.648 1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.789 21.828 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.841 21.745 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.022 22.337 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.121 20.833 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.404 21.816 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.826 23.212 3.928 1.00 0.00 H new ATOM 0 HE ARG A 125 25.375 22.819 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 125 26.871 24.497 2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 125 25.725 25.840 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.907 24.548 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.054 25.869 4.365 1.00 0.00 H new