USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 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 Single : A 26 ASN : amide:sc=0.000491 X(o=0.00049,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -135:sc= -0.588 (180deg=-4.89!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.194 USER MOD Single : A 41 MET CE :methyl 155:sc= -1.54 (180deg=-2.3!) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0965 (180deg=-0.461) USER MOD Single : A 44 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.18) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -6.13! C(o=-6.1!,f=-13!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 70 SER OG : rot 163:sc= 0.407 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -83:sc= 0.851 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= -0.0107 (180deg=-0.0266) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0898 USER MOD Single : A 86 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.058) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.7) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.31) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 80:sc= -0.867 USER MOD Single : A 115 LYS NZ :NH3+ -113:sc= 0.169 (180deg=0) USER MOD Single : A 121 TYR OH : rot 87:sc= 0.00368 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+ 175:sc= 0.208 (180deg=0.196) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.810 21.316 -5.872 1.00 0.00 N ATOM 385 CA ASN A 26 24.876 22.436 -5.906 1.00 0.00 C ATOM 386 C ASN A 26 23.547 22.017 -6.526 1.00 0.00 C ATOM 387 O ASN A 26 23.087 22.615 -7.499 1.00 0.00 O ATOM 388 CB ASN A 26 25.475 23.603 -6.695 1.00 0.00 C ATOM 389 CG ASN A 26 26.288 23.138 -7.887 1.00 0.00 C ATOM 390 OD1 ASN A 26 27.491 23.388 -7.967 1.00 0.00 O ATOM 391 ND2 ASN A 26 25.634 22.458 -8.821 1.00 0.00 N ATOM 0 HA ASN A 26 24.693 22.756 -4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 26 24.672 24.256 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.109 24.196 -6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 26 26.129 22.120 -9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 26 24.637 22.274 -8.713 1.00 0.00 H new ATOM 398 N VAL A 27 22.934 20.984 -5.957 1.00 0.00 N ATOM 399 CA VAL A 27 21.656 20.486 -6.452 1.00 0.00 C ATOM 400 C VAL A 27 20.816 19.907 -5.319 1.00 0.00 C ATOM 401 O VAL A 27 21.347 19.336 -4.367 1.00 0.00 O ATOM 402 CB VAL A 27 21.856 19.406 -7.532 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.514 18.931 -8.067 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.731 19.935 -8.658 1.00 0.00 C ATOM 0 H VAL A 27 23.302 20.476 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 27 21.133 21.336 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 27 22.362 18.553 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.675 18.168 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.925 18.511 -7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.978 19.773 -8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.862 19.159 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.255 20.805 -9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.704 20.221 -8.259 1.00 0.00 H new ATOM 414 N GLY A 28 19.499 20.058 -5.429 1.00 0.00 N ATOM 415 CA GLY A 28 18.606 19.544 -4.408 1.00 0.00 C ATOM 416 C GLY A 28 17.469 18.727 -4.989 1.00 0.00 C ATOM 417 O GLY A 28 16.697 19.221 -5.810 1.00 0.00 O ATOM 0 H GLY A 28 19.035 20.527 -6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.173 18.927 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.196 20.376 -3.836 1.00 0.00 H new ATOM 421 N SER A 29 17.367 17.471 -4.564 1.00 0.00 N ATOM 422 CA SER A 29 16.320 16.582 -5.052 1.00 0.00 C ATOM 423 C SER A 29 15.281 16.319 -3.967 1.00 0.00 C ATOM 424 O SER A 29 15.608 15.841 -2.881 1.00 0.00 O ATOM 425 CB SER A 29 16.925 15.259 -5.526 1.00 0.00 C ATOM 426 OG SER A 29 18.341 15.309 -5.505 1.00 0.00 O ATOM 0 H SER A 29 17.997 17.047 -3.883 1.00 0.00 H new ATOM 0 HA SER A 29 15.826 17.070 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.577 14.447 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.581 15.039 -6.537 1.00 0.00 H new ATOM 0 HG SER A 29 18.703 14.451 -5.811 1.00 0.00 H new ATOM 432 N GLY A 30 14.025 16.635 -4.269 1.00 0.00 N ATOM 433 CA GLY A 30 12.957 16.427 -3.309 1.00 0.00 C ATOM 434 C GLY A 30 11.791 15.657 -3.898 1.00 0.00 C ATOM 435 O GLY A 30 11.141 16.123 -4.834 1.00 0.00 O ATOM 0 H GLY A 30 13.729 17.031 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.347 15.886 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.605 17.393 -2.947 1.00 0.00 H new ATOM 439 N MET A 31 11.526 14.476 -3.351 1.00 0.00 N ATOM 440 CA MET A 31 10.431 13.640 -3.829 1.00 0.00 C ATOM 441 C MET A 31 9.499 13.257 -2.683 1.00 0.00 C ATOM 442 O MET A 31 9.943 12.754 -1.651 1.00 0.00 O ATOM 443 CB MET A 31 10.978 12.379 -4.500 1.00 0.00 C ATOM 444 CG MET A 31 9.895 11.413 -4.953 1.00 0.00 C ATOM 445 SD MET A 31 9.665 10.040 -3.808 1.00 0.00 S ATOM 446 CE MET A 31 7.894 10.109 -3.549 1.00 0.00 C ATOM 0 H MET A 31 12.055 14.076 -2.576 1.00 0.00 H new ATOM 0 HA MET A 31 9.862 14.214 -4.561 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.579 12.668 -5.362 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.643 11.867 -3.805 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.954 11.953 -5.060 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.152 11.021 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.677 10.005 -2.486 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.511 11.065 -3.906 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.414 9.299 -4.098 1.00 0.00 H new ATOM 456 N VAL A 32 8.206 13.500 -2.871 1.00 0.00 N ATOM 457 CA VAL A 32 7.212 13.179 -1.854 1.00 0.00 C ATOM 458 C VAL A 32 5.890 12.763 -2.489 1.00 0.00 C ATOM 459 O VAL A 32 5.623 13.069 -3.650 1.00 0.00 O ATOM 460 CB VAL A 32 6.964 14.375 -0.916 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.250 14.776 -0.210 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.383 15.548 -1.690 1.00 0.00 C ATOM 0 H VAL A 32 7.822 13.918 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 32 7.610 12.347 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 32 6.240 14.075 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.055 15.623 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.619 13.936 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.999 15.057 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.214 16.384 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.081 15.850 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.437 15.252 -2.143 1.00 0.00 H new ATOM 472 N GLY A 33 5.064 12.062 -1.718 1.00 0.00 N ATOM 473 CA GLY A 33 3.779 11.614 -2.222 1.00 0.00 C ATOM 474 C GLY A 33 3.050 10.720 -1.239 1.00 0.00 C ATOM 475 O GLY A 33 3.412 10.652 -0.065 1.00 0.00 O ATOM 0 H GLY A 33 5.262 11.796 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.159 12.481 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.927 11.075 -3.158 1.00 0.00 H new ATOM 479 N ALA A 34 2.019 10.033 -1.719 1.00 0.00 N ATOM 480 CA ALA A 34 1.237 9.138 -0.875 1.00 0.00 C ATOM 481 C ALA A 34 1.019 7.791 -1.556 1.00 0.00 C ATOM 482 O ALA A 34 0.881 7.701 -2.776 1.00 0.00 O ATOM 483 CB ALA A 34 -0.098 9.776 -0.523 1.00 0.00 C ATOM 0 H ALA A 34 1.706 10.079 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 34 1.797 8.964 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.671 9.096 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.075 10.709 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.656 9.980 -1.437 1.00 0.00 H new ATOM 489 N PRO A 35 0.986 6.718 -0.751 1.00 0.00 N ATOM 490 CA PRO A 35 0.785 5.357 -1.256 1.00 0.00 C ATOM 491 C PRO A 35 -0.632 5.134 -1.773 1.00 0.00 C ATOM 492 O PRO A 35 -0.827 4.626 -2.877 1.00 0.00 O ATOM 493 CB PRO A 35 1.050 4.481 -0.028 1.00 0.00 C ATOM 494 CG PRO A 35 0.756 5.362 1.136 1.00 0.00 C ATOM 495 CD PRO A 35 1.143 6.752 0.712 1.00 0.00 C ATOM 0 HA PRO A 35 1.435 5.136 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.412 3.597 -0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.081 4.129 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.300 5.315 1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.322 5.050 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.500 7.505 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.167 6.990 1.001 1.00 0.00 H new ATOM 503 N ALA A 36 -1.618 5.517 -0.968 1.00 0.00 N ATOM 504 CA ALA A 36 -3.017 5.361 -1.346 1.00 0.00 C ATOM 505 C ALA A 36 -3.451 6.460 -2.310 1.00 0.00 C ATOM 506 O ALA A 36 -4.515 6.375 -2.925 1.00 0.00 O ATOM 507 CB ALA A 36 -3.901 5.361 -0.108 1.00 0.00 C ATOM 0 H ALA A 36 -1.473 5.938 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.126 4.404 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.943 5.244 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.614 4.536 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.780 6.304 0.426 1.00 0.00 H new ATOM 513 N CYS A 37 -2.623 7.491 -2.435 1.00 0.00 N ATOM 514 CA CYS A 37 -2.922 8.609 -3.323 1.00 0.00 C ATOM 515 C CYS A 37 -2.322 8.380 -4.707 1.00 0.00 C ATOM 516 O CYS A 37 -2.923 8.730 -5.721 1.00 0.00 O ATOM 517 CB CYS A 37 -2.389 9.914 -2.732 1.00 0.00 C ATOM 518 SG CYS A 37 -3.196 11.400 -3.374 1.00 0.00 S ATOM 0 H CYS A 37 -1.739 7.576 -1.933 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.005 8.681 -3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.511 9.886 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.319 9.980 -2.931 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.678 12.452 -2.813 1.00 0.00 H new ATOM 524 N GLY A 38 -1.130 7.792 -4.739 1.00 0.00 N ATOM 525 CA GLY A 38 -0.467 7.528 -6.003 1.00 0.00 C ATOM 526 C GLY A 38 0.172 8.770 -6.592 1.00 0.00 C ATOM 527 O GLY A 38 0.788 8.714 -7.656 1.00 0.00 O ATOM 0 H GLY A 38 -0.612 7.494 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.297 6.764 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.190 7.124 -6.712 1.00 0.00 H new ATOM 531 N ALA A 39 0.023 9.895 -5.901 1.00 0.00 N ATOM 532 CA ALA A 39 0.591 11.156 -6.362 1.00 0.00 C ATOM 533 C ALA A 39 2.068 11.258 -5.999 1.00 0.00 C ATOM 534 O ALA A 39 2.481 10.852 -4.913 1.00 0.00 O ATOM 535 CB ALA A 39 -0.181 12.329 -5.774 1.00 0.00 C ATOM 0 H ALA A 39 -0.486 9.959 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 39 0.508 11.188 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.254 13.264 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.223 12.273 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.127 12.291 -4.686 1.00 0.00 H new ATOM 541 N VAL A 40 2.862 11.803 -6.916 1.00 0.00 N ATOM 542 CA VAL A 40 4.294 11.959 -6.693 1.00 0.00 C ATOM 543 C VAL A 40 4.773 13.336 -7.139 1.00 0.00 C ATOM 544 O VAL A 40 4.574 13.732 -8.287 1.00 0.00 O ATOM 545 CB VAL A 40 5.099 10.880 -7.441 1.00 0.00 C ATOM 546 CG1 VAL A 40 6.563 10.924 -7.028 1.00 0.00 C ATOM 547 CG2 VAL A 40 4.507 9.502 -7.187 1.00 0.00 C ATOM 0 H VAL A 40 2.537 12.144 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 40 4.461 11.849 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 40 5.041 11.084 -8.510 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.116 10.155 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.979 11.903 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.644 10.746 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.088 8.752 -7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.533 9.286 -6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.475 9.479 -7.537 1.00 0.00 H new ATOM 557 N MET A 41 5.407 14.061 -6.223 1.00 0.00 N ATOM 558 CA MET A 41 5.917 15.394 -6.523 1.00 0.00 C ATOM 559 C MET A 41 7.441 15.395 -6.571 1.00 0.00 C ATOM 560 O MET A 41 8.105 15.310 -5.537 1.00 0.00 O ATOM 561 CB MET A 41 5.427 16.398 -5.478 1.00 0.00 C ATOM 562 CG MET A 41 3.917 16.579 -5.469 1.00 0.00 C ATOM 563 SD MET A 41 3.327 17.561 -6.861 1.00 0.00 S ATOM 564 CE MET A 41 3.374 19.208 -6.158 1.00 0.00 C ATOM 0 H MET A 41 5.580 13.748 -5.268 1.00 0.00 H new ATOM 0 HA MET A 41 5.540 15.688 -7.503 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.751 16.069 -4.491 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.899 17.363 -5.664 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.438 15.600 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.618 17.060 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.477 19.942 -6.957 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.451 19.396 -5.609 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.223 19.290 -5.479 1.00 0.00 H new ATOM 574 N LYS A 42 7.991 15.492 -7.776 1.00 0.00 N ATOM 575 CA LYS A 42 9.438 15.506 -7.959 1.00 0.00 C ATOM 576 C LYS A 42 9.913 16.875 -8.434 1.00 0.00 C ATOM 577 O LYS A 42 9.523 17.342 -9.505 1.00 0.00 O ATOM 578 CB LYS A 42 9.855 14.431 -8.966 1.00 0.00 C ATOM 579 CG LYS A 42 9.399 13.033 -8.587 1.00 0.00 C ATOM 580 CD LYS A 42 10.579 12.130 -8.266 1.00 0.00 C ATOM 581 CE LYS A 42 11.463 11.913 -9.485 1.00 0.00 C ATOM 582 NZ LYS A 42 10.681 11.435 -10.659 1.00 0.00 N ATOM 0 H LYS A 42 7.456 15.562 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 42 9.904 15.294 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.447 14.684 -9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.941 14.436 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.736 13.087 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.822 12.603 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.168 12.571 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.215 11.169 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.966 12.846 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.240 11.187 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.329 11.044 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.015 10.697 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.152 12.230 -11.071 1.00 0.00 H new ATOM 596 N LEU A 43 10.759 17.513 -7.633 1.00 0.00 N ATOM 597 CA LEU A 43 11.290 18.829 -7.972 1.00 0.00 C ATOM 598 C LEU A 43 12.798 18.882 -7.749 1.00 0.00 C ATOM 599 O LEU A 43 13.322 18.241 -6.838 1.00 0.00 O ATOM 600 CB LEU A 43 10.601 19.909 -7.137 1.00 0.00 C ATOM 601 CG LEU A 43 9.389 20.584 -7.780 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.189 19.650 -7.769 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.060 21.886 -7.063 1.00 0.00 C ATOM 0 H LEU A 43 11.092 17.140 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 43 11.091 19.013 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.286 19.464 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.335 20.678 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 43 9.634 20.815 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.336 20.148 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.427 18.745 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.942 19.387 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.195 22.352 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.835 21.679 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.914 22.561 -7.124 1.00 0.00 H new ATOM 615 N GLN A 44 13.488 19.651 -8.585 1.00 0.00 N ATOM 616 CA GLN A 44 14.935 19.788 -8.477 1.00 0.00 C ATOM 617 C GLN A 44 15.334 21.254 -8.340 1.00 0.00 C ATOM 618 O GLN A 44 14.807 22.118 -9.041 1.00 0.00 O ATOM 619 CB GLN A 44 15.619 19.173 -9.699 1.00 0.00 C ATOM 620 CG GLN A 44 16.453 17.944 -9.375 1.00 0.00 C ATOM 621 CD GLN A 44 15.916 16.685 -10.028 1.00 0.00 C ATOM 622 OE1 GLN A 44 14.706 16.462 -10.069 1.00 0.00 O ATOM 623 NE2 GLN A 44 16.815 15.855 -10.543 1.00 0.00 N ATOM 0 H GLN A 44 13.068 20.188 -9.344 1.00 0.00 H new ATOM 0 HA GLN A 44 15.260 19.257 -7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.859 18.903 -10.433 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.258 19.924 -10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.479 18.109 -9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.482 17.804 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.808 16.080 -10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.512 14.992 -10.995 1.00 0.00 H new ATOM 632 N ILE A 45 16.267 21.526 -7.434 1.00 0.00 N ATOM 633 CA ILE A 45 16.737 22.887 -7.207 1.00 0.00 C ATOM 634 C ILE A 45 18.250 22.981 -7.369 1.00 0.00 C ATOM 635 O ILE A 45 18.947 21.966 -7.395 1.00 0.00 O ATOM 636 CB ILE A 45 16.351 23.388 -5.802 1.00 0.00 C ATOM 637 CG1 ILE A 45 16.722 22.346 -4.745 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.864 23.704 -5.743 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.493 22.817 -3.326 1.00 0.00 C ATOM 0 H ILE A 45 16.712 20.822 -6.845 1.00 0.00 H new ATOM 0 HA ILE A 45 16.254 23.516 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 45 16.906 24.303 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.139 21.442 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 45 17.771 22.076 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.606 24.057 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.627 24.478 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.292 22.804 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.777 22.028 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.097 23.704 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.439 23.059 -3.189 1.00 0.00 H new ATOM 651 N LYS A 46 18.753 24.206 -7.478 1.00 0.00 N ATOM 652 CA LYS A 46 20.184 24.434 -7.635 1.00 0.00 C ATOM 653 C LYS A 46 20.654 25.578 -6.742 1.00 0.00 C ATOM 654 O LYS A 46 20.434 26.750 -7.049 1.00 0.00 O ATOM 655 CB LYS A 46 20.514 24.746 -9.097 1.00 0.00 C ATOM 656 CG LYS A 46 21.369 23.684 -9.767 1.00 0.00 C ATOM 657 CD LYS A 46 22.762 24.205 -10.080 1.00 0.00 C ATOM 658 CE LYS A 46 23.477 23.315 -11.085 1.00 0.00 C ATOM 659 NZ LYS A 46 23.045 23.597 -12.481 1.00 0.00 N ATOM 0 H LYS A 46 18.190 25.056 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 46 20.706 23.525 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.584 24.857 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.033 25.703 -9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.443 22.812 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.887 23.355 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.692 25.219 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.346 24.260 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.553 23.464 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.281 22.269 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.555 22.970 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.022 23.430 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.256 24.588 -12.716 1.00 0.00 H new ATOM 673 N VAL A 47 21.303 25.230 -5.635 1.00 0.00 N ATOM 674 CA VAL A 47 21.807 26.228 -4.699 1.00 0.00 C ATOM 675 C VAL A 47 23.221 26.663 -5.066 1.00 0.00 C ATOM 676 O VAL A 47 24.008 25.874 -5.587 1.00 0.00 O ATOM 677 CB VAL A 47 21.805 25.693 -3.254 1.00 0.00 C ATOM 678 CG1 VAL A 47 21.694 26.840 -2.261 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.673 24.696 -3.058 1.00 0.00 C ATOM 0 H VAL A 47 21.492 24.265 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 47 21.139 27.087 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 47 22.748 25.178 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 47 21.694 26.444 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 47 22.541 27.514 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 47 20.767 27.386 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.686 24.328 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.719 25.185 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.802 23.860 -3.745 1.00 0.00 H new ATOM 689 N ASN A 48 23.537 27.924 -4.790 1.00 0.00 N ATOM 690 CA ASN A 48 24.858 28.464 -5.091 1.00 0.00 C ATOM 691 C ASN A 48 25.706 28.565 -3.827 1.00 0.00 C ATOM 692 O ASN A 48 25.403 27.937 -2.812 1.00 0.00 O ATOM 693 CB ASN A 48 24.731 29.842 -5.745 1.00 0.00 C ATOM 694 CG ASN A 48 24.437 30.935 -4.736 1.00 0.00 C ATOM 695 OD1 ASN A 48 25.345 31.619 -4.262 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.163 31.105 -4.402 1.00 0.00 N ATOM 0 H ASN A 48 22.897 28.591 -4.359 1.00 0.00 H new ATOM 0 HA ASN A 48 25.352 27.783 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.655 30.077 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.936 29.816 -6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.904 31.825 -3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.443 30.515 -4.820 1.00 0.00 H new ATOM 703 N ASP A 49 26.769 29.358 -3.896 1.00 0.00 N ATOM 704 CA ASP A 49 27.661 29.543 -2.757 1.00 0.00 C ATOM 705 C ASP A 49 26.881 29.987 -1.524 1.00 0.00 C ATOM 706 O ASP A 49 26.622 29.191 -0.622 1.00 0.00 O ATOM 707 CB ASP A 49 28.742 30.572 -3.091 1.00 0.00 C ATOM 708 CG ASP A 49 30.088 29.930 -3.361 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.342 29.551 -4.524 1.00 0.00 O ATOM 710 OD2 ASP A 49 30.888 29.808 -2.410 1.00 0.00 O ATOM 0 H ASP A 49 27.034 29.883 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 49 28.136 28.587 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.435 31.147 -3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 28.838 31.276 -2.264 1.00 0.00 H new ATOM 715 N GLU A 50 26.511 31.264 -1.491 1.00 0.00 N ATOM 716 CA GLU A 50 25.763 31.813 -0.366 1.00 0.00 C ATOM 717 C GLU A 50 24.684 30.839 0.097 1.00 0.00 C ATOM 718 O GLU A 50 24.415 30.716 1.291 1.00 0.00 O ATOM 719 CB GLU A 50 25.127 33.150 -0.753 1.00 0.00 C ATOM 720 CG GLU A 50 24.562 33.170 -2.163 1.00 0.00 C ATOM 721 CD GLU A 50 23.468 34.205 -2.338 1.00 0.00 C ATOM 722 OE1 GLU A 50 23.236 34.990 -1.395 1.00 0.00 O ATOM 723 OE2 GLU A 50 22.843 34.230 -3.419 1.00 0.00 O ATOM 0 H GLU A 50 26.717 31.937 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 50 26.459 31.974 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.329 33.381 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.874 33.939 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.366 33.374 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.166 32.184 -2.406 1.00 0.00 H new ATOM 730 N GLY A 51 24.068 30.149 -0.858 1.00 0.00 N ATOM 731 CA GLY A 51 23.025 29.195 -0.529 1.00 0.00 C ATOM 732 C GLY A 51 21.650 29.669 -0.957 1.00 0.00 C ATOM 733 O GLY A 51 20.674 29.503 -0.225 1.00 0.00 O ATOM 0 H GLY A 51 24.273 30.234 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.244 28.242 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.026 29.017 0.546 1.00 0.00 H new ATOM 737 N ILE A 52 21.573 30.262 -2.143 1.00 0.00 N ATOM 738 CA ILE A 52 20.308 30.762 -2.666 1.00 0.00 C ATOM 739 C ILE A 52 19.928 30.051 -3.960 1.00 0.00 C ATOM 740 O ILE A 52 20.743 29.930 -4.876 1.00 0.00 O ATOM 741 CB ILE A 52 20.366 32.279 -2.925 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.719 33.025 -1.636 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.039 32.773 -3.481 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.782 32.726 -0.488 1.00 0.00 C ATOM 0 H ILE A 52 22.372 30.408 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 52 19.552 30.560 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 52 21.143 32.477 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.736 32.764 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.709 34.097 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.096 33.847 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.824 32.261 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.244 32.566 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.093 33.289 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.767 33.013 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.809 31.660 -0.264 1.00 0.00 H new ATOM 756 N ILE A 53 18.686 29.585 -4.031 1.00 0.00 N ATOM 757 CA ILE A 53 18.198 28.889 -5.215 1.00 0.00 C ATOM 758 C ILE A 53 18.251 29.790 -6.443 1.00 0.00 C ATOM 759 O ILE A 53 17.579 30.819 -6.499 1.00 0.00 O ATOM 760 CB ILE A 53 16.754 28.391 -5.019 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.682 27.416 -3.842 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.245 27.731 -6.292 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.581 26.210 -4.000 1.00 0.00 C ATOM 0 H ILE A 53 17.999 29.677 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 53 18.852 28.031 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 53 16.117 29.247 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.952 27.943 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.652 27.078 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.223 27.384 -6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.264 28.453 -7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.882 26.883 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.478 25.563 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.297 25.659 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.617 26.537 -4.088 1.00 0.00 H new ATOM 775 N GLU A 54 19.054 29.394 -7.427 1.00 0.00 N ATOM 776 CA GLU A 54 19.194 30.167 -8.655 1.00 0.00 C ATOM 777 C GLU A 54 18.579 29.424 -9.838 1.00 0.00 C ATOM 778 O GLU A 54 18.215 30.031 -10.845 1.00 0.00 O ATOM 779 CB GLU A 54 20.669 30.460 -8.935 1.00 0.00 C ATOM 780 CG GLU A 54 20.931 30.981 -10.338 1.00 0.00 C ATOM 781 CD GLU A 54 21.200 29.868 -11.333 1.00 0.00 C ATOM 782 OE1 GLU A 54 21.039 28.687 -10.961 1.00 0.00 O ATOM 783 OE2 GLU A 54 21.570 30.179 -12.484 1.00 0.00 O ATOM 0 H GLU A 54 19.616 28.544 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 54 18.663 31.110 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.029 31.192 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.247 29.549 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.071 31.562 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.785 31.658 -10.317 1.00 0.00 H new ATOM 790 N ASP A 55 18.466 28.107 -9.708 1.00 0.00 N ATOM 791 CA ASP A 55 17.895 27.280 -10.764 1.00 0.00 C ATOM 792 C ASP A 55 16.901 26.275 -10.191 1.00 0.00 C ATOM 793 O ASP A 55 17.141 25.680 -9.141 1.00 0.00 O ATOM 794 CB ASP A 55 19.003 26.545 -11.521 1.00 0.00 C ATOM 795 CG ASP A 55 19.354 27.220 -12.832 1.00 0.00 C ATOM 796 OD1 ASP A 55 19.117 28.440 -12.954 1.00 0.00 O ATOM 797 OD2 ASP A 55 19.867 26.528 -13.736 1.00 0.00 O ATOM 0 H ASP A 55 18.763 27.589 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 55 17.364 27.934 -11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.893 26.490 -10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.687 25.520 -11.716 1.00 0.00 H new ATOM 802 N ALA A 56 15.783 26.093 -10.886 1.00 0.00 N ATOM 803 CA ALA A 56 14.753 25.160 -10.447 1.00 0.00 C ATOM 804 C ALA A 56 14.220 24.340 -11.616 1.00 0.00 C ATOM 805 O ALA A 56 13.575 24.874 -12.518 1.00 0.00 O ATOM 806 CB ALA A 56 13.618 25.910 -9.765 1.00 0.00 C ATOM 0 H ALA A 56 15.568 26.580 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 56 15.202 24.472 -9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.856 25.201 -9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.005 26.446 -8.899 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.179 26.621 -10.465 1.00 0.00 H new ATOM 812 N ARG A 57 14.495 23.039 -11.595 1.00 0.00 N ATOM 813 CA ARG A 57 14.044 22.146 -12.655 1.00 0.00 C ATOM 814 C ARG A 57 12.933 21.227 -12.156 1.00 0.00 C ATOM 815 O ARG A 57 12.928 20.815 -10.996 1.00 0.00 O ATOM 816 CB ARG A 57 15.214 21.311 -13.179 1.00 0.00 C ATOM 817 CG ARG A 57 15.733 21.770 -14.532 1.00 0.00 C ATOM 818 CD ARG A 57 14.657 21.674 -15.603 1.00 0.00 C ATOM 819 NE ARG A 57 15.225 21.477 -16.933 1.00 0.00 N ATOM 820 CZ ARG A 57 14.571 21.742 -18.059 1.00 0.00 C ATOM 821 NH1 ARG A 57 13.332 22.211 -18.014 1.00 0.00 N ATOM 822 NH2 ARG A 57 15.156 21.536 -19.232 1.00 0.00 N ATOM 0 H ARG A 57 15.028 22.581 -10.856 1.00 0.00 H new ATOM 0 HA ARG A 57 13.649 22.757 -13.467 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.028 21.348 -12.455 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.901 20.270 -13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.084 22.799 -14.458 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.590 21.161 -14.820 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.986 20.848 -15.369 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.057 22.584 -15.596 1.00 0.00 H new ATOM 0 HE ARG A 57 16.176 21.116 -17.002 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.879 22.369 -17.114 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.832 22.414 -18.879 1.00 0.00 H new ATOM 0 HH21 ARG A 57 16.109 21.174 -19.270 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.653 21.740 -20.096 1.00 0.00 H new ATOM 836 N PHE A 58 11.992 20.910 -13.040 1.00 0.00 N ATOM 837 CA PHE A 58 10.875 20.042 -12.689 1.00 0.00 C ATOM 838 C PHE A 58 10.786 18.857 -13.646 1.00 0.00 C ATOM 839 O PHE A 58 11.164 18.957 -14.814 1.00 0.00 O ATOM 840 CB PHE A 58 9.563 20.829 -12.710 1.00 0.00 C ATOM 841 CG PHE A 58 8.353 19.985 -12.429 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.241 19.286 -11.238 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.327 19.890 -13.356 1.00 0.00 C ATOM 844 CE1 PHE A 58 7.128 18.509 -10.975 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.212 19.115 -13.099 1.00 0.00 C ATOM 846 CZ PHE A 58 6.113 18.423 -11.908 1.00 0.00 C ATOM 0 H PHE A 58 11.981 21.242 -14.005 1.00 0.00 H new ATOM 0 HA PHE A 58 11.046 19.661 -11.682 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.617 21.629 -11.972 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.448 21.302 -13.685 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.033 19.349 -10.506 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.400 20.428 -14.290 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.052 17.970 -10.042 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.419 19.051 -13.829 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.243 17.815 -11.706 1.00 0.00 H new ATOM 856 N LYS A 59 10.284 17.734 -13.143 1.00 0.00 N ATOM 857 CA LYS A 59 10.143 16.529 -13.951 1.00 0.00 C ATOM 858 C LYS A 59 8.767 15.900 -13.756 1.00 0.00 C ATOM 859 O LYS A 59 8.178 15.992 -12.678 1.00 0.00 O ATOM 860 CB LYS A 59 11.234 15.518 -13.591 1.00 0.00 C ATOM 861 CG LYS A 59 12.497 15.663 -14.422 1.00 0.00 C ATOM 862 CD LYS A 59 12.974 14.321 -14.951 1.00 0.00 C ATOM 863 CE LYS A 59 11.989 13.733 -15.950 1.00 0.00 C ATOM 864 NZ LYS A 59 11.653 12.318 -15.630 1.00 0.00 N ATOM 0 H LYS A 59 9.968 17.634 -12.178 1.00 0.00 H new ATOM 0 HA LYS A 59 10.249 16.810 -14.999 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.488 15.630 -12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.839 14.510 -13.718 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.309 16.338 -15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.282 16.116 -13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.948 14.441 -15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.108 13.628 -14.120 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.077 14.330 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.412 13.788 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.979 11.953 -16.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.519 11.743 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.225 12.268 -14.683 1.00 0.00 H new ATOM 978 N ALA A 68 -0.594 21.905 -11.463 1.00 0.00 N ATOM 979 CA ALA A 68 -0.170 23.297 -11.370 1.00 0.00 C ATOM 980 C ALA A 68 0.643 23.539 -10.102 1.00 0.00 C ATOM 981 O ALA A 68 1.439 24.475 -10.034 1.00 0.00 O ATOM 982 CB ALA A 68 -1.379 24.220 -11.408 1.00 0.00 C ATOM 0 HA ALA A 68 0.468 23.516 -12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.048 25.256 -11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.919 24.074 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.037 23.992 -10.570 1.00 0.00 H new ATOM 988 N SER A 69 0.436 22.690 -9.101 1.00 0.00 N ATOM 989 CA SER A 69 1.147 22.815 -7.834 1.00 0.00 C ATOM 990 C SER A 69 2.654 22.894 -8.062 1.00 0.00 C ATOM 991 O SER A 69 3.302 23.863 -7.666 1.00 0.00 O ATOM 992 CB SER A 69 0.820 21.630 -6.922 1.00 0.00 C ATOM 993 OG SER A 69 -0.543 21.258 -7.039 1.00 0.00 O ATOM 0 H SER A 69 -0.218 21.908 -9.143 1.00 0.00 H new ATOM 0 HA SER A 69 0.821 23.737 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.455 20.782 -7.180 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.042 21.891 -5.887 1.00 0.00 H new ATOM 0 HG SER A 69 -0.727 20.498 -6.448 1.00 0.00 H new ATOM 999 N SER A 70 3.204 21.868 -8.703 1.00 0.00 N ATOM 1000 CA SER A 70 4.634 21.819 -8.981 1.00 0.00 C ATOM 1001 C SER A 70 5.062 23.006 -9.840 1.00 0.00 C ATOM 1002 O SER A 70 6.080 23.645 -9.572 1.00 0.00 O ATOM 1003 CB SER A 70 4.994 20.510 -9.686 1.00 0.00 C ATOM 1004 OG SER A 70 3.829 19.780 -10.031 1.00 0.00 O ATOM 0 H SER A 70 2.681 21.060 -9.039 1.00 0.00 H new ATOM 0 HA SER A 70 5.165 21.870 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.572 20.724 -10.585 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.627 19.905 -9.036 1.00 0.00 H new ATOM 0 HG SER A 70 4.052 19.109 -10.710 1.00 0.00 H new ATOM 1010 N SER A 71 4.277 23.294 -10.872 1.00 0.00 N ATOM 1011 CA SER A 71 4.575 24.401 -11.774 1.00 0.00 C ATOM 1012 C SER A 71 4.677 25.715 -11.005 1.00 0.00 C ATOM 1013 O SER A 71 5.476 26.588 -11.347 1.00 0.00 O ATOM 1014 CB SER A 71 3.497 24.512 -12.854 1.00 0.00 C ATOM 1015 OG SER A 71 3.983 24.062 -14.107 1.00 0.00 O ATOM 0 H SER A 71 3.429 22.777 -11.105 1.00 0.00 H new ATOM 0 HA SER A 71 5.536 24.202 -12.249 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.626 23.923 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.168 25.548 -12.939 1.00 0.00 H new ATOM 0 HG SER A 71 3.275 24.141 -14.780 1.00 0.00 H new ATOM 1021 N LEU A 72 3.862 25.849 -9.965 1.00 0.00 N ATOM 1022 CA LEU A 72 3.859 27.057 -9.146 1.00 0.00 C ATOM 1023 C LEU A 72 4.970 27.010 -8.102 1.00 0.00 C ATOM 1024 O LEU A 72 5.621 28.018 -7.827 1.00 0.00 O ATOM 1025 CB LEU A 72 2.504 27.225 -8.456 1.00 0.00 C ATOM 1026 CG LEU A 72 2.492 28.102 -7.203 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.847 29.539 -7.554 1.00 0.00 C ATOM 1028 CD2 LEU A 72 1.134 28.038 -6.520 1.00 0.00 C ATOM 0 H LEU A 72 3.195 25.137 -9.668 1.00 0.00 H new ATOM 0 HA LEU A 72 4.036 27.910 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.802 27.646 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.131 26.237 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 72 3.243 27.723 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.833 30.148 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.842 29.570 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.120 29.930 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.144 28.668 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.365 28.391 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.919 27.009 -6.233 1.00 0.00 H new ATOM 1040 N VAL A 73 5.184 25.831 -7.526 1.00 0.00 N ATOM 1041 CA VAL A 73 6.220 25.651 -6.515 1.00 0.00 C ATOM 1042 C VAL A 73 7.608 25.875 -7.105 1.00 0.00 C ATOM 1043 O VAL A 73 8.542 26.255 -6.397 1.00 0.00 O ATOM 1044 CB VAL A 73 6.159 24.244 -5.893 1.00 0.00 C ATOM 1045 CG1 VAL A 73 7.306 24.041 -4.915 1.00 0.00 C ATOM 1046 CG2 VAL A 73 4.818 24.022 -5.208 1.00 0.00 C ATOM 0 H VAL A 73 4.654 24.987 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 73 6.035 26.392 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 73 6.260 23.509 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.246 23.041 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.255 24.154 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.240 24.782 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.792 23.022 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.685 24.763 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.015 24.121 -5.939 1.00 0.00 H new ATOM 1056 N THR A 74 7.737 25.637 -8.406 1.00 0.00 N ATOM 1057 CA THR A 74 9.011 25.811 -9.092 1.00 0.00 C ATOM 1058 C THR A 74 9.368 27.288 -9.223 1.00 0.00 C ATOM 1059 O THR A 74 10.478 27.699 -8.889 1.00 0.00 O ATOM 1060 CB THR A 74 8.987 25.174 -10.494 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.660 25.221 -11.030 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.467 23.732 -10.442 1.00 0.00 C ATOM 0 H THR A 74 6.974 25.323 -9.006 1.00 0.00 H new ATOM 0 HA THR A 74 9.766 25.310 -8.487 1.00 0.00 H new ATOM 0 HB THR A 74 9.659 25.741 -11.138 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.143 24.461 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.441 23.304 -11.444 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.488 23.702 -10.061 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.817 23.156 -9.784 1.00 0.00 H new ATOM 1070 N GLU A 75 8.418 28.080 -9.711 1.00 0.00 N ATOM 1071 CA GLU A 75 8.634 29.511 -9.886 1.00 0.00 C ATOM 1072 C GLU A 75 8.851 30.197 -8.540 1.00 0.00 C ATOM 1073 O GLU A 75 9.412 31.291 -8.473 1.00 0.00 O ATOM 1074 CB GLU A 75 7.442 30.145 -10.607 1.00 0.00 C ATOM 1075 CG GLU A 75 7.261 29.652 -12.033 1.00 0.00 C ATOM 1076 CD GLU A 75 8.233 30.297 -13.001 1.00 0.00 C ATOM 1077 OE1 GLU A 75 9.451 30.268 -12.725 1.00 0.00 O ATOM 1078 OE2 GLU A 75 7.777 30.831 -14.033 1.00 0.00 O ATOM 0 H GLU A 75 7.493 27.755 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 75 9.530 29.646 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.534 29.937 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.569 31.227 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.392 28.570 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.241 29.857 -12.358 1.00 0.00 H new ATOM 1085 N TRP A 76 8.404 29.546 -7.473 1.00 0.00 N ATOM 1086 CA TRP A 76 8.549 30.094 -6.128 1.00 0.00 C ATOM 1087 C TRP A 76 9.960 29.865 -5.597 1.00 0.00 C ATOM 1088 O TRP A 76 10.589 30.779 -5.064 1.00 0.00 O ATOM 1089 CB TRP A 76 7.527 29.459 -5.184 1.00 0.00 C ATOM 1090 CG TRP A 76 6.519 30.436 -4.658 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.171 30.243 -4.547 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.778 31.758 -4.173 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.577 31.366 -4.022 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.542 32.309 -3.783 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.935 32.529 -4.028 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.432 33.594 -3.260 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.824 33.805 -3.509 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.580 34.327 -3.130 1.00 0.00 C ATOM 0 H TRP A 76 7.939 28.639 -7.512 1.00 0.00 H new ATOM 0 HA TRP A 76 8.369 31.168 -6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.007 28.658 -5.709 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.052 29.002 -4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.649 29.341 -4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.580 31.479 -3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.898 32.135 -4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.474 33.998 -2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.711 34.410 -3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.526 35.328 -2.727 1.00 0.00 H new ATOM 1109 N VAL A 77 10.452 28.639 -5.745 1.00 0.00 N ATOM 1110 CA VAL A 77 11.790 28.291 -5.281 1.00 0.00 C ATOM 1111 C VAL A 77 12.859 28.999 -6.106 1.00 0.00 C ATOM 1112 O VAL A 77 13.933 29.328 -5.600 1.00 0.00 O ATOM 1113 CB VAL A 77 12.030 26.771 -5.347 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.143 26.047 -4.346 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.787 26.255 -6.758 1.00 0.00 C ATOM 0 H VAL A 77 9.944 27.870 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 77 11.860 28.617 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 77 13.069 26.572 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.326 24.974 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.370 26.397 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.097 26.250 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.961 25.179 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.758 26.464 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.468 26.751 -7.449 1.00 0.00 H new ATOM 1125 N LYS A 78 12.558 29.233 -7.379 1.00 0.00 N ATOM 1126 CA LYS A 78 13.492 29.905 -8.275 1.00 0.00 C ATOM 1127 C LYS A 78 13.832 31.300 -7.761 1.00 0.00 C ATOM 1128 O LYS A 78 13.096 32.256 -7.998 1.00 0.00 O ATOM 1129 CB LYS A 78 12.901 29.999 -9.683 1.00 0.00 C ATOM 1130 CG LYS A 78 13.498 29.002 -10.661 1.00 0.00 C ATOM 1131 CD LYS A 78 13.994 29.688 -11.923 1.00 0.00 C ATOM 1132 CE LYS A 78 13.605 28.909 -13.171 1.00 0.00 C ATOM 1133 NZ LYS A 78 13.662 29.757 -14.394 1.00 0.00 N ATOM 0 H LYS A 78 11.674 28.967 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 78 14.409 29.317 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.824 29.840 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.055 31.008 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.324 28.473 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.749 28.254 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.580 30.695 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.078 29.791 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.273 28.056 -13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.597 28.511 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.390 29.190 -15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.006 30.558 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.629 30.116 -14.523 1.00 0.00 H new ATOM 1147 N GLY A 79 14.954 31.409 -7.056 1.00 0.00 N ATOM 1148 CA GLY A 79 15.373 32.691 -6.521 1.00 0.00 C ATOM 1149 C GLY A 79 15.059 32.834 -5.045 1.00 0.00 C ATOM 1150 O GLY A 79 14.942 33.947 -4.532 1.00 0.00 O ATOM 0 H GLY A 79 15.580 30.632 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.445 32.812 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.879 33.491 -7.073 1.00 0.00 H new ATOM 1154 N LYS A 80 14.920 31.704 -4.359 1.00 0.00 N ATOM 1155 CA LYS A 80 14.617 31.706 -2.933 1.00 0.00 C ATOM 1156 C LYS A 80 15.723 31.017 -2.141 1.00 0.00 C ATOM 1157 O LYS A 80 16.390 30.113 -2.645 1.00 0.00 O ATOM 1158 CB LYS A 80 13.279 31.010 -2.674 1.00 0.00 C ATOM 1159 CG LYS A 80 12.311 31.841 -1.850 1.00 0.00 C ATOM 1160 CD LYS A 80 11.654 32.925 -2.689 1.00 0.00 C ATOM 1161 CE LYS A 80 10.808 33.855 -1.833 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.834 35.254 -2.342 1.00 0.00 N ATOM 0 H LYS A 80 15.013 30.774 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 80 14.550 32.743 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.814 30.767 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.463 30.066 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.544 31.193 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.842 32.298 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.421 33.502 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.030 32.465 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.779 33.495 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.173 33.835 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.193 35.842 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.801 35.630 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.526 35.268 -3.335 1.00 0.00 H new ATOM 1176 N SER A 81 15.913 31.448 -0.898 1.00 0.00 N ATOM 1177 CA SER A 81 16.940 30.874 -0.037 1.00 0.00 C ATOM 1178 C SER A 81 16.525 29.490 0.454 1.00 0.00 C ATOM 1179 O SER A 81 15.526 28.931 0.000 1.00 0.00 O ATOM 1180 CB SER A 81 17.207 31.792 1.157 1.00 0.00 C ATOM 1181 OG SER A 81 18.399 31.423 1.827 1.00 0.00 O ATOM 0 H SER A 81 15.368 32.194 -0.465 1.00 0.00 H new ATOM 0 HA SER A 81 17.855 30.775 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.282 32.825 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.367 31.746 1.850 1.00 0.00 H new ATOM 0 HG SER A 81 18.548 32.026 2.585 1.00 0.00 H new ATOM 1187 N LEU A 82 17.299 28.943 1.385 1.00 0.00 N ATOM 1188 CA LEU A 82 17.013 27.625 1.940 1.00 0.00 C ATOM 1189 C LEU A 82 15.905 27.702 2.984 1.00 0.00 C ATOM 1190 O LEU A 82 14.992 26.875 2.998 1.00 0.00 O ATOM 1191 CB LEU A 82 18.276 27.027 2.563 1.00 0.00 C ATOM 1192 CG LEU A 82 19.545 27.106 1.713 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.763 26.712 2.535 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.420 26.218 0.484 1.00 0.00 C ATOM 0 H LEU A 82 18.129 29.392 1.771 1.00 0.00 H new ATOM 0 HA LEU A 82 16.676 26.981 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.465 27.533 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 82 18.082 25.980 2.794 1.00 0.00 H new ATOM 0 HG LEU A 82 19.673 28.136 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.657 26.774 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.863 27.388 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.643 25.691 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.332 26.287 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.267 25.185 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.571 26.545 -0.117 1.00 0.00 H new ATOM 1206 N ASP A 83 15.989 28.700 3.857 1.00 0.00 N ATOM 1207 CA ASP A 83 14.991 28.887 4.903 1.00 0.00 C ATOM 1208 C ASP A 83 13.674 29.384 4.316 1.00 0.00 C ATOM 1209 O ASP A 83 12.598 28.968 4.743 1.00 0.00 O ATOM 1210 CB ASP A 83 15.501 29.876 5.953 1.00 0.00 C ATOM 1211 CG ASP A 83 16.119 29.182 7.150 1.00 0.00 C ATOM 1212 OD1 ASP A 83 15.418 28.375 7.796 1.00 0.00 O ATOM 1213 OD2 ASP A 83 17.305 29.446 7.442 1.00 0.00 O ATOM 0 H ASP A 83 16.738 29.392 3.861 1.00 0.00 H new ATOM 0 HA ASP A 83 14.814 27.922 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.240 30.536 5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.675 30.504 6.287 1.00 0.00 H new ATOM 1218 N GLU A 84 13.769 30.276 3.334 1.00 0.00 N ATOM 1219 CA GLU A 84 12.584 30.830 2.690 1.00 0.00 C ATOM 1220 C GLU A 84 11.696 29.719 2.136 1.00 0.00 C ATOM 1221 O GLU A 84 10.519 29.622 2.480 1.00 0.00 O ATOM 1222 CB GLU A 84 12.987 31.785 1.565 1.00 0.00 C ATOM 1223 CG GLU A 84 13.138 33.228 2.016 1.00 0.00 C ATOM 1224 CD GLU A 84 14.073 33.375 3.200 1.00 0.00 C ATOM 1225 OE1 GLU A 84 13.592 33.294 4.349 1.00 0.00 O ATOM 1226 OE2 GLU A 84 15.286 33.570 2.978 1.00 0.00 O ATOM 0 H GLU A 84 14.653 30.630 2.968 1.00 0.00 H new ATOM 0 HA GLU A 84 12.019 31.383 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.929 31.448 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.239 31.737 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.513 33.827 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.158 33.626 2.280 1.00 0.00 H new ATOM 1233 N ALA A 85 12.270 28.885 1.275 1.00 0.00 N ATOM 1234 CA ALA A 85 11.533 27.781 0.674 1.00 0.00 C ATOM 1235 C ALA A 85 11.040 26.806 1.738 1.00 0.00 C ATOM 1236 O ALA A 85 9.914 26.315 1.667 1.00 0.00 O ATOM 1237 CB ALA A 85 12.402 27.058 -0.344 1.00 0.00 C ATOM 0 H ALA A 85 13.243 28.953 0.978 1.00 0.00 H new ATOM 0 HA ALA A 85 10.662 28.193 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.838 26.236 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.701 27.754 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.291 26.665 0.150 1.00 0.00 H new ATOM 1243 N GLN A 86 11.890 26.532 2.722 1.00 0.00 N ATOM 1244 CA GLN A 86 11.539 25.614 3.800 1.00 0.00 C ATOM 1245 C GLN A 86 10.441 26.202 4.679 1.00 0.00 C ATOM 1246 O GLN A 86 9.753 25.476 5.397 1.00 0.00 O ATOM 1247 CB GLN A 86 12.772 25.296 4.648 1.00 0.00 C ATOM 1248 CG GLN A 86 12.627 24.034 5.483 1.00 0.00 C ATOM 1249 CD GLN A 86 12.704 24.306 6.972 1.00 0.00 C ATOM 1250 OE1 GLN A 86 11.860 23.848 7.743 1.00 0.00 O ATOM 1251 NE2 GLN A 86 13.719 25.056 7.385 1.00 0.00 N ATOM 0 H GLN A 86 12.826 26.932 2.795 1.00 0.00 H new ATOM 0 HA GLN A 86 11.166 24.693 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.636 25.191 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.975 26.138 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.673 23.559 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.410 23.328 5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.395 25.415 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.822 25.273 8.376 1.00 0.00 H new ATOM 1260 N ALA A 87 10.282 27.520 4.618 1.00 0.00 N ATOM 1261 CA ALA A 87 9.265 28.204 5.407 1.00 0.00 C ATOM 1262 C ALA A 87 7.911 28.171 4.706 1.00 0.00 C ATOM 1263 O ALA A 87 6.875 28.412 5.326 1.00 0.00 O ATOM 1264 CB ALA A 87 9.686 29.641 5.678 1.00 0.00 C ATOM 0 H ALA A 87 10.845 28.135 4.030 1.00 0.00 H new ATOM 0 HA ALA A 87 9.165 27.680 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.917 30.140 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.627 29.647 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.816 30.167 4.732 1.00 0.00 H new ATOM 1270 N ILE A 88 7.928 27.872 3.412 1.00 0.00 N ATOM 1271 CA ILE A 88 6.700 27.807 2.628 1.00 0.00 C ATOM 1272 C ILE A 88 5.661 26.922 3.306 1.00 0.00 C ATOM 1273 O ILE A 88 5.994 25.894 3.896 1.00 0.00 O ATOM 1274 CB ILE A 88 6.967 27.272 1.209 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.930 28.198 0.463 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.660 27.129 0.442 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.245 27.737 -0.943 1.00 0.00 C ATOM 0 H ILE A 88 8.777 27.671 2.884 1.00 0.00 H new ATOM 0 HA ILE A 88 6.316 28.825 2.558 1.00 0.00 H new ATOM 0 HB ILE A 88 7.429 26.288 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.499 29.198 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.859 28.274 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.865 26.750 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.005 26.433 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.173 28.101 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.933 28.441 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.705 26.749 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.324 27.688 -1.525 1.00 0.00 H new ATOM 1289 N LYS A 89 4.398 27.327 3.218 1.00 0.00 N ATOM 1290 CA LYS A 89 3.307 26.570 3.820 1.00 0.00 C ATOM 1291 C LYS A 89 2.298 26.136 2.762 1.00 0.00 C ATOM 1292 O LYS A 89 1.909 26.925 1.902 1.00 0.00 O ATOM 1293 CB LYS A 89 2.609 27.408 4.893 1.00 0.00 C ATOM 1294 CG LYS A 89 3.542 27.892 5.990 1.00 0.00 C ATOM 1295 CD LYS A 89 4.259 26.733 6.663 1.00 0.00 C ATOM 1296 CE LYS A 89 5.167 27.215 7.784 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.830 26.574 9.085 1.00 0.00 N ATOM 0 H LYS A 89 4.105 28.176 2.735 1.00 0.00 H new ATOM 0 HA LYS A 89 3.729 25.677 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.140 28.271 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.811 26.817 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.275 28.579 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.973 28.450 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.526 26.033 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.848 26.190 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.204 26.998 7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.082 28.297 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.471 26.929 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.848 26.802 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.935 25.543 9.001 1.00 0.00 H new ATOM 1311 N ASN A 90 1.876 24.878 2.834 1.00 0.00 N ATOM 1312 CA ASN A 90 0.910 24.340 1.883 1.00 0.00 C ATOM 1313 C ASN A 90 -0.281 25.281 1.725 1.00 0.00 C ATOM 1314 O ASN A 90 -0.805 25.460 0.625 1.00 0.00 O ATOM 1315 CB ASN A 90 0.428 22.961 2.338 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.468 23.036 3.559 1.00 0.00 C ATOM 1317 OD1 ASN A 90 0.010 23.127 4.689 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.777 22.997 3.335 1.00 0.00 N ATOM 0 H ASN A 90 2.188 24.212 3.541 1.00 0.00 H new ATOM 0 HA ASN A 90 1.405 24.244 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.113 22.481 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.290 22.333 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.430 23.043 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.129 22.921 2.381 1.00 0.00 H new ATOM 1325 N THR A 91 -0.704 25.881 2.834 1.00 0.00 N ATOM 1326 CA THR A 91 -1.833 26.803 2.820 1.00 0.00 C ATOM 1327 C THR A 91 -1.691 27.829 1.701 1.00 0.00 C ATOM 1328 O THR A 91 -2.679 28.231 1.086 1.00 0.00 O ATOM 1329 CB THR A 91 -1.970 27.543 4.164 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.088 28.437 4.119 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.704 28.323 4.485 1.00 0.00 C ATOM 0 H THR A 91 -0.282 25.745 3.752 1.00 0.00 H new ATOM 0 HA THR A 91 -2.728 26.204 2.650 1.00 0.00 H new ATOM 0 HB THR A 91 -2.129 26.801 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.169 28.903 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.825 28.837 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.140 27.636 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.519 29.055 3.699 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.458 28.248 1.441 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.187 29.226 0.393 1.00 0.00 C ATOM 1341 C ASP A 92 -0.371 28.606 -0.989 1.00 0.00 C ATOM 1342 O ASP A 92 -1.073 29.156 -1.837 1.00 0.00 O ATOM 1343 CB ASP A 92 1.232 29.777 0.535 1.00 0.00 C ATOM 1344 CG ASP A 92 1.303 30.958 1.482 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.738 30.864 2.592 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.925 31.977 1.115 1.00 0.00 O ATOM 0 H ASP A 92 0.370 27.926 1.941 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.898 30.045 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.891 28.987 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.601 30.079 -0.445 1.00 0.00 H new ATOM 1351 N ILE A 93 0.267 27.461 -1.207 1.00 0.00 N ATOM 1352 CA ILE A 93 0.174 26.768 -2.486 1.00 0.00 C ATOM 1353 C ILE A 93 -1.254 26.309 -2.760 1.00 0.00 C ATOM 1354 O ILE A 93 -1.638 26.090 -3.909 1.00 0.00 O ATOM 1355 CB ILE A 93 1.112 25.547 -2.534 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.567 25.988 -2.361 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.933 24.793 -3.844 1.00 0.00 C ATOM 1358 CD1 ILE A 93 3.042 25.954 -0.926 1.00 0.00 C ATOM 0 H ILE A 93 0.853 26.994 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 93 0.478 27.480 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 93 0.855 24.877 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.208 25.343 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.680 27.000 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.602 23.933 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.099 24.452 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.167 25.454 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.081 26.279 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.426 26.621 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.962 24.938 -0.540 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.038 26.165 -1.696 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.425 25.736 -1.822 1.00 0.00 C ATOM 1372 C ALA A 94 -4.316 26.884 -2.284 1.00 0.00 C ATOM 1373 O ALA A 94 -5.140 26.719 -3.183 1.00 0.00 O ATOM 1374 CB ALA A 94 -3.927 25.177 -0.498 1.00 0.00 C ATOM 0 H ALA A 94 -1.736 26.339 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.469 24.951 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.964 24.860 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.315 24.323 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.861 25.947 0.270 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.144 28.047 -1.664 1.00 0.00 N ATOM 1381 CA GLU A 95 -4.934 29.222 -2.013 1.00 0.00 C ATOM 1382 C GLU A 95 -4.420 29.861 -3.300 1.00 0.00 C ATOM 1383 O GLU A 95 -5.179 30.486 -4.040 1.00 0.00 O ATOM 1384 CB GLU A 95 -4.900 30.244 -0.874 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.519 29.736 0.417 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.035 29.768 0.389 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.605 30.880 0.389 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.652 28.682 0.367 1.00 0.00 O ATOM 0 H GLU A 95 -3.465 28.201 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.963 28.901 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.865 30.529 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.426 31.145 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.184 28.715 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.162 30.342 1.250 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.126 29.700 -3.558 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.510 30.263 -4.754 1.00 0.00 C ATOM 1397 C GLU A 96 -3.157 29.699 -6.015 1.00 0.00 C ATOM 1398 O GLU A 96 -3.594 30.447 -6.891 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.008 29.974 -4.765 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.157 31.161 -4.345 1.00 0.00 C ATOM 1401 CD GLU A 96 -0.809 31.991 -3.256 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.597 31.679 -2.066 1.00 0.00 O ATOM 1403 OE2 GLU A 96 -1.531 32.951 -3.596 1.00 0.00 O ATOM 0 H GLU A 96 -2.484 29.185 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.665 31.342 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.803 29.136 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.714 29.663 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.811 30.803 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.033 31.792 -5.213 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.215 28.374 -6.101 1.00 0.00 N ATOM 1411 CA LEU A 97 -3.808 27.708 -7.256 1.00 0.00 C ATOM 1412 C LEU A 97 -5.242 27.280 -6.961 1.00 0.00 C ATOM 1413 O LEU A 97 -5.934 26.755 -7.831 1.00 0.00 O ATOM 1414 CB LEU A 97 -2.972 26.490 -7.651 1.00 0.00 C ATOM 1415 CG LEU A 97 -1.682 26.782 -8.419 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -0.674 25.662 -8.214 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.974 26.974 -9.900 1.00 0.00 C ATOM 0 H LEU A 97 -2.859 27.740 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.823 28.416 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.715 25.941 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.592 25.831 -8.259 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.253 27.706 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.237 25.887 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.441 25.572 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.095 24.723 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.044 27.181 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.427 26.068 -10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.660 27.811 -10.030 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.681 27.512 -5.727 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.034 27.152 -5.319 1.00 0.00 C ATOM 1431 C GLU A 98 -7.342 25.701 -5.677 1.00 0.00 C ATOM 1432 O GLU A 98 -8.354 25.409 -6.317 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.055 28.080 -5.980 1.00 0.00 C ATOM 1434 CG GLU A 98 -7.902 29.538 -5.579 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.235 30.247 -5.437 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.116 30.028 -6.294 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.396 31.021 -4.471 1.00 0.00 O ATOM 0 H GLU A 98 -5.120 27.947 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.101 27.263 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.960 27.998 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.059 27.744 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.361 29.596 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.298 30.055 -6.325 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.464 24.796 -5.261 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.641 23.374 -5.538 1.00 0.00 C ATOM 1446 C LEU A 99 -8.027 22.904 -5.108 1.00 0.00 C ATOM 1447 O LEU A 99 -8.602 23.394 -4.136 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.566 22.557 -4.818 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.523 21.886 -5.712 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -3.514 22.907 -6.214 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.820 20.764 -4.961 1.00 0.00 C ATOM 0 H LEU A 99 -5.622 25.021 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.544 23.223 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.048 23.212 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.059 21.785 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.034 21.456 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.780 22.411 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.030 23.676 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.008 23.367 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.081 20.297 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.322 21.171 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.553 20.019 -4.651 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.577 21.929 -5.848 1.00 0.00 N ATOM 1464 CA PRO A 100 -9.901 21.369 -5.560 1.00 0.00 C ATOM 1465 C PRO A 100 -9.914 20.541 -4.280 1.00 0.00 C ATOM 1466 O PRO A 100 -8.891 20.016 -3.841 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.181 20.481 -6.775 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.834 20.115 -7.296 1.00 0.00 C ATOM 1469 CD PRO A 100 -7.948 21.298 -7.020 1.00 0.00 C ATOM 0 HA PRO A 100 -10.648 22.147 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.751 19.595 -6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.765 21.012 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.455 19.220 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.874 19.898 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.923 20.992 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.910 21.979 -7.871 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.100 20.418 -3.666 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.276 19.653 -2.428 1.00 0.00 C ATOM 1479 C PRO A 101 -11.124 18.151 -2.648 1.00 0.00 C ATOM 1480 O PRO A 101 -11.020 17.381 -1.693 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.707 19.989 -2.004 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.401 20.358 -3.269 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.362 21.016 -4.134 1.00 0.00 C ATOM 0 HA PRO A 101 -10.525 19.908 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.188 19.137 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.725 20.811 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.815 19.476 -3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.233 21.035 -3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.534 20.815 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.364 22.099 -4.011 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.110 17.741 -3.913 1.00 0.00 N ATOM 1492 CA VAL A 102 -10.969 16.332 -4.258 1.00 0.00 C ATOM 1493 C VAL A 102 -9.772 15.710 -3.549 1.00 0.00 C ATOM 1494 O VAL A 102 -9.837 14.575 -3.075 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.809 16.140 -5.778 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.102 16.487 -6.499 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -9.655 16.980 -6.302 1.00 0.00 C ATOM 0 H VAL A 102 -11.195 18.365 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.881 15.833 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.583 15.092 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.970 16.345 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.902 15.838 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.362 17.527 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.556 16.832 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.849 18.033 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.731 16.678 -5.808 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.677 16.460 -3.479 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.463 15.984 -2.826 1.00 0.00 C ATOM 1509 C LYS A 103 -6.570 17.152 -2.421 1.00 0.00 C ATOM 1510 O LYS A 103 -5.494 17.348 -2.987 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.697 15.040 -3.755 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.754 14.100 -3.024 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.482 12.868 -2.511 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.733 12.952 -1.013 1.00 0.00 C ATOM 1515 NZ LYS A 103 -6.017 11.879 -0.270 1.00 0.00 N ATOM 0 H LYS A 103 -8.606 17.401 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.752 15.442 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.411 14.450 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.125 15.632 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.950 13.796 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.291 14.625 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.432 12.761 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.894 11.978 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.411 13.926 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.803 12.876 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.213 11.971 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.343 10.949 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.994 11.967 -0.434 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.022 17.923 -1.438 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.261 19.070 -0.957 1.00 0.00 C ATOM 1531 C ILE A 104 -4.826 18.677 -0.624 1.00 0.00 C ATOM 1532 O ILE A 104 -3.917 19.507 -0.670 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.913 19.694 0.291 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.337 20.155 -0.027 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.076 20.857 0.802 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.397 21.276 -1.040 1.00 0.00 C ATOM 0 H ILE A 104 -7.910 17.775 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.256 19.806 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.962 18.937 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.910 19.307 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.818 20.483 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.551 21.287 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.079 20.501 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.997 21.618 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.437 21.551 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.852 22.140 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.945 20.946 -1.975 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.628 17.406 -0.290 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.302 16.901 0.048 1.00 0.00 C ATOM 1550 C HIS A 105 -2.308 17.195 -1.070 1.00 0.00 C ATOM 1551 O HIS A 105 -1.100 17.269 -0.837 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.358 15.397 0.314 1.00 0.00 C ATOM 1553 CG HIS A 105 -3.211 15.038 1.761 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -3.729 15.806 2.783 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -2.602 13.986 2.355 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -3.442 15.242 3.943 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -2.760 14.136 3.711 1.00 0.00 N ATOM 0 H HIS A 105 -5.369 16.707 -0.246 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.966 17.409 0.952 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.307 15.006 -0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.569 14.906 -0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -2.087 13.178 1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -3.718 15.621 4.916 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.408 13.497 4.423 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.822 17.362 -2.284 1.00 0.00 N ATOM 1566 CA CYS A 106 -1.978 17.646 -3.439 1.00 0.00 C ATOM 1567 C CYS A 106 -1.197 18.940 -3.236 1.00 0.00 C ATOM 1568 O CYS A 106 -0.190 19.180 -3.903 1.00 0.00 O ATOM 1569 CB CYS A 106 -2.829 17.744 -4.706 1.00 0.00 C ATOM 1570 SG CYS A 106 -2.919 16.207 -5.655 1.00 0.00 S ATOM 0 H CYS A 106 -3.819 17.306 -2.494 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.267 16.827 -3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -3.839 18.048 -4.430 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.423 18.529 -5.344 1.00 0.00 H new ATOM 0 HG CYS A 106 -3.662 16.389 -6.706 1.00 0.00 H new ATOM 1576 N SER A 107 -1.668 19.772 -2.313 1.00 0.00 N ATOM 1577 CA SER A 107 -1.016 21.044 -2.026 1.00 0.00 C ATOM 1578 C SER A 107 0.065 20.873 -0.963 1.00 0.00 C ATOM 1579 O SER A 107 1.074 21.578 -0.970 1.00 0.00 O ATOM 1580 CB SER A 107 -2.046 22.075 -1.561 1.00 0.00 C ATOM 1581 OG SER A 107 -1.881 23.306 -2.244 1.00 0.00 O ATOM 0 H SER A 107 -2.499 19.588 -1.751 1.00 0.00 H new ATOM 0 HA SER A 107 -0.546 21.398 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.052 21.692 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.946 22.235 -0.487 1.00 0.00 H new ATOM 0 HG SER A 107 -2.293 23.246 -3.131 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.155 19.933 -0.050 1.00 0.00 N ATOM 1588 CA ILE A 108 0.800 19.668 1.019 1.00 0.00 C ATOM 1589 C ILE A 108 2.047 18.973 0.482 1.00 0.00 C ATOM 1590 O ILE A 108 3.135 19.106 1.043 1.00 0.00 O ATOM 1591 CB ILE A 108 0.178 18.798 2.127 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.860 19.601 2.913 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.261 18.269 3.055 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.270 19.443 2.389 1.00 0.00 C ATOM 0 H ILE A 108 -0.986 19.342 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 108 1.078 20.634 1.440 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.323 17.948 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.832 19.291 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.587 20.656 2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.806 17.656 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.967 17.666 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.787 19.106 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.952 20.040 2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.313 19.781 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.562 18.394 2.441 1.00 0.00 H new ATOM 1606 N LEU A 109 1.882 18.233 -0.608 1.00 0.00 N ATOM 1607 CA LEU A 109 2.995 17.518 -1.223 1.00 0.00 C ATOM 1608 C LEU A 109 3.942 18.485 -1.926 1.00 0.00 C ATOM 1609 O LEU A 109 5.119 18.184 -2.123 1.00 0.00 O ATOM 1610 CB LEU A 109 2.473 16.482 -2.221 1.00 0.00 C ATOM 1611 CG LEU A 109 1.678 15.319 -1.627 1.00 0.00 C ATOM 1612 CD1 LEU A 109 1.330 14.305 -2.705 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.460 14.657 -0.502 1.00 0.00 C ATOM 0 H LEU A 109 0.988 18.112 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 109 3.547 17.008 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.842 16.993 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.323 16.073 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 109 0.749 15.713 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.764 13.484 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.729 14.786 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.247 13.916 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.878 13.832 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.405 14.277 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.657 15.387 0.283 1.00 0.00 H new ATOM 1625 N ALA A 110 3.421 19.649 -2.299 1.00 0.00 N ATOM 1626 CA ALA A 110 4.221 20.662 -2.976 1.00 0.00 C ATOM 1627 C ALA A 110 5.249 21.272 -2.029 1.00 0.00 C ATOM 1628 O ALA A 110 6.389 21.525 -2.416 1.00 0.00 O ATOM 1629 CB ALA A 110 3.322 21.747 -3.551 1.00 0.00 C ATOM 0 H ALA A 110 2.448 19.914 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 110 4.758 20.180 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.933 22.497 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.629 21.304 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.759 22.218 -2.745 1.00 0.00 H new ATOM 1635 N GLU A 111 4.837 21.506 -0.787 1.00 0.00 N ATOM 1636 CA GLU A 111 5.724 22.088 0.214 1.00 0.00 C ATOM 1637 C GLU A 111 6.566 21.009 0.889 1.00 0.00 C ATOM 1638 O GLU A 111 7.626 21.292 1.447 1.00 0.00 O ATOM 1639 CB GLU A 111 4.913 22.849 1.265 1.00 0.00 C ATOM 1640 CG GLU A 111 3.870 21.994 1.966 1.00 0.00 C ATOM 1641 CD GLU A 111 3.704 22.359 3.428 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.136 23.464 3.818 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.140 21.539 4.183 1.00 0.00 O ATOM 0 H GLU A 111 3.896 21.302 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 111 6.394 22.783 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.594 23.260 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.417 23.694 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.913 22.105 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.153 20.944 1.887 1.00 0.00 H new ATOM 1650 N ASP A 112 6.086 19.772 0.833 1.00 0.00 N ATOM 1651 CA ASP A 112 6.793 18.649 1.438 1.00 0.00 C ATOM 1652 C ASP A 112 7.945 18.191 0.549 1.00 0.00 C ATOM 1653 O ASP A 112 8.893 17.563 1.019 1.00 0.00 O ATOM 1654 CB ASP A 112 5.831 17.487 1.687 1.00 0.00 C ATOM 1655 CG ASP A 112 4.930 17.727 2.882 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.201 18.676 3.648 1.00 0.00 O ATOM 1657 OD2 ASP A 112 3.955 16.966 3.052 1.00 0.00 O ATOM 0 H ASP A 112 5.210 19.521 0.375 1.00 0.00 H new ATOM 0 HA ASP A 112 7.203 18.981 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.218 17.330 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.403 16.573 1.845 1.00 0.00 H new ATOM 1662 N ALA A 113 7.855 18.508 -0.739 1.00 0.00 N ATOM 1663 CA ALA A 113 8.890 18.129 -1.693 1.00 0.00 C ATOM 1664 C ALA A 113 10.073 19.089 -1.629 1.00 0.00 C ATOM 1665 O ALA A 113 11.225 18.664 -1.546 1.00 0.00 O ATOM 1666 CB ALA A 113 8.318 18.086 -3.102 1.00 0.00 C ATOM 0 H ALA A 113 7.076 19.026 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 113 9.248 17.134 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.102 17.802 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.510 17.356 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.932 19.070 -3.368 1.00 0.00 H new ATOM 1672 N ILE A 114 9.780 20.385 -1.669 1.00 0.00 N ATOM 1673 CA ILE A 114 10.821 21.404 -1.616 1.00 0.00 C ATOM 1674 C ILE A 114 11.754 21.176 -0.431 1.00 0.00 C ATOM 1675 O ILE A 114 12.969 21.339 -0.543 1.00 0.00 O ATOM 1676 CB ILE A 114 10.219 22.818 -1.515 1.00 0.00 C ATOM 1677 CG1 ILE A 114 9.224 22.892 -0.355 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.543 23.200 -2.824 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.530 24.231 -0.238 1.00 0.00 C ATOM 0 H ILE A 114 8.831 20.753 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 114 11.388 21.324 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 114 11.025 23.527 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.473 22.112 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.749 22.681 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.122 24.202 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.276 23.183 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.746 22.489 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.840 24.211 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.273 25.013 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.977 24.435 -1.155 1.00 0.00 H new ATOM 1691 N LYS A 115 11.177 20.795 0.704 1.00 0.00 N ATOM 1692 CA LYS A 115 11.956 20.541 1.910 1.00 0.00 C ATOM 1693 C LYS A 115 12.895 19.355 1.711 1.00 0.00 C ATOM 1694 O LYS A 115 14.006 19.336 2.241 1.00 0.00 O ATOM 1695 CB LYS A 115 11.026 20.275 3.096 1.00 0.00 C ATOM 1696 CG LYS A 115 11.239 21.225 4.261 1.00 0.00 C ATOM 1697 CD LYS A 115 9.918 21.705 4.838 1.00 0.00 C ATOM 1698 CE LYS A 115 9.189 22.624 3.870 1.00 0.00 C ATOM 1699 NZ LYS A 115 7.726 22.672 4.147 1.00 0.00 N ATOM 0 H LYS A 115 10.173 20.655 0.814 1.00 0.00 H new ATOM 0 HA LYS A 115 12.556 21.427 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.992 20.351 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.174 19.252 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.816 20.725 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.825 22.082 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.288 20.847 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.099 22.231 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.605 23.629 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.354 22.281 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.209 22.233 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.522 22.154 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.425 23.662 4.250 1.00 0.00 H new ATOM 1713 N ALA A 116 12.442 18.370 0.943 1.00 0.00 N ATOM 1714 CA ALA A 116 13.244 17.183 0.672 1.00 0.00 C ATOM 1715 C ALA A 116 14.444 17.520 -0.207 1.00 0.00 C ATOM 1716 O ALA A 116 15.479 16.858 -0.140 1.00 0.00 O ATOM 1717 CB ALA A 116 12.390 16.109 0.013 1.00 0.00 C ATOM 0 H ALA A 116 11.524 18.370 0.498 1.00 0.00 H new ATOM 0 HA ALA A 116 13.618 16.803 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.001 15.228 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.568 15.840 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.988 16.489 -0.926 1.00 0.00 H new ATOM 1723 N ALA A 117 14.297 18.554 -1.029 1.00 0.00 N ATOM 1724 CA ALA A 117 15.370 18.979 -1.920 1.00 0.00 C ATOM 1725 C ALA A 117 16.410 19.806 -1.171 1.00 0.00 C ATOM 1726 O ALA A 117 17.613 19.641 -1.376 1.00 0.00 O ATOM 1727 CB ALA A 117 14.803 19.772 -3.088 1.00 0.00 C ATOM 0 H ALA A 117 13.446 19.112 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 117 15.863 18.087 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.615 20.083 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.104 19.149 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.283 20.653 -2.711 1.00 0.00 H new ATOM 1733 N ILE A 118 15.938 20.696 -0.304 1.00 0.00 N ATOM 1734 CA ILE A 118 16.828 21.548 0.475 1.00 0.00 C ATOM 1735 C ILE A 118 17.705 20.719 1.408 1.00 0.00 C ATOM 1736 O ILE A 118 18.843 21.089 1.697 1.00 0.00 O ATOM 1737 CB ILE A 118 16.038 22.574 1.308 1.00 0.00 C ATOM 1738 CG1 ILE A 118 15.233 23.497 0.391 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.982 23.383 2.186 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.311 24.436 1.137 1.00 0.00 C ATOM 0 H ILE A 118 14.945 20.846 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 118 17.460 22.079 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 118 15.343 22.037 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.922 24.084 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.642 22.889 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.409 24.104 2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.515 22.713 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.699 23.912 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.773 25.060 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.598 23.856 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.898 25.069 1.803 1.00 0.00 H new ATOM 1752 N ALA A 119 17.169 19.597 1.874 1.00 0.00 N ATOM 1753 CA ALA A 119 17.904 18.713 2.771 1.00 0.00 C ATOM 1754 C ALA A 119 19.001 17.963 2.024 1.00 0.00 C ATOM 1755 O ALA A 119 20.144 17.901 2.479 1.00 0.00 O ATOM 1756 CB ALA A 119 16.953 17.733 3.442 1.00 0.00 C ATOM 0 H ALA A 119 16.228 19.278 1.645 1.00 0.00 H new ATOM 0 HA ALA A 119 18.377 19.325 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.515 17.079 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 119 16.209 18.284 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.453 17.133 2.682 1.00 0.00 H new ATOM 1762 N ASP A 120 18.647 17.393 0.878 1.00 0.00 N ATOM 1763 CA ASP A 120 19.603 16.646 0.068 1.00 0.00 C ATOM 1764 C ASP A 120 20.840 17.489 -0.228 1.00 0.00 C ATOM 1765 O ASP A 120 21.948 16.965 -0.337 1.00 0.00 O ATOM 1766 CB ASP A 120 18.952 16.196 -1.241 1.00 0.00 C ATOM 1767 CG ASP A 120 19.146 14.716 -1.505 1.00 0.00 C ATOM 1768 OD1 ASP A 120 18.410 13.905 -0.904 1.00 0.00 O ATOM 1769 OD2 ASP A 120 20.032 14.369 -2.313 1.00 0.00 O ATOM 0 H ASP A 120 17.705 17.434 0.488 1.00 0.00 H new ATOM 0 HA ASP A 120 19.912 15.766 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.886 16.420 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.373 16.768 -2.068 1.00 0.00 H new ATOM 1774 N TYR A 121 20.642 18.796 -0.357 1.00 0.00 N ATOM 1775 CA TYR A 121 21.741 19.711 -0.643 1.00 0.00 C ATOM 1776 C TYR A 121 22.669 19.841 0.561 1.00 0.00 C ATOM 1777 O TYR A 121 23.875 19.618 0.458 1.00 0.00 O ATOM 1778 CB TYR A 121 21.198 21.086 -1.034 1.00 0.00 C ATOM 1779 CG TYR A 121 22.259 22.161 -1.093 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.222 22.161 -2.095 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.300 23.177 -0.146 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.194 23.141 -2.152 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.268 24.162 -0.196 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.212 24.140 -1.201 1.00 0.00 C ATOM 1785 OH TYR A 121 25.179 25.118 -1.254 1.00 0.00 O ATOM 0 H TYR A 121 19.731 19.246 -0.268 1.00 0.00 H new ATOM 0 HA TYR A 121 22.313 19.303 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.713 21.012 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.432 21.382 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.210 21.381 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.563 23.197 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 121 24.936 23.125 -2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.285 24.945 0.548 1.00 0.00 H new ATOM 0 HH TYR A 121 24.876 25.847 -1.835 1.00 0.00 H new ATOM 1795 N LYS A 122 22.097 20.205 1.704 1.00 0.00 N ATOM 1796 CA LYS A 122 22.869 20.364 2.930 1.00 0.00 C ATOM 1797 C LYS A 122 23.521 19.047 3.337 1.00 0.00 C ATOM 1798 O LYS A 122 24.597 19.035 3.936 1.00 0.00 O ATOM 1799 CB LYS A 122 21.971 20.872 4.060 1.00 0.00 C ATOM 1800 CG LYS A 122 21.078 22.030 3.653 1.00 0.00 C ATOM 1801 CD LYS A 122 21.109 23.147 4.683 1.00 0.00 C ATOM 1802 CE LYS A 122 20.043 22.951 5.750 1.00 0.00 C ATOM 1803 NZ LYS A 122 20.603 23.082 7.124 1.00 0.00 N ATOM 0 H LYS A 122 21.100 20.396 1.806 1.00 0.00 H new ATOM 0 HA LYS A 122 23.655 21.095 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.348 20.051 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.596 21.183 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.400 22.417 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.055 21.676 3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 122 22.092 23.184 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.957 24.105 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.249 23.685 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.590 21.966 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.845 22.942 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.343 22.365 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 21.012 24.031 7.243 1.00 0.00 H new ATOM 1817 N SER A 123 22.864 17.939 3.007 1.00 0.00 N ATOM 1818 CA SER A 123 23.379 16.617 3.341 1.00 0.00 C ATOM 1819 C SER A 123 24.534 16.235 2.420 1.00 0.00 C ATOM 1820 O SER A 123 25.325 15.344 2.731 1.00 0.00 O ATOM 1821 CB SER A 123 22.266 15.572 3.242 1.00 0.00 C ATOM 1822 OG SER A 123 22.647 14.359 3.866 1.00 0.00 O ATOM 0 H SER A 123 21.974 17.931 2.509 1.00 0.00 H new ATOM 0 HA SER A 123 23.749 16.647 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.360 15.956 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.029 15.387 2.194 1.00 0.00 H new ATOM 0 HG SER A 123 21.918 13.709 3.790 1.00 0.00 H new ATOM 1828 N LYS A 124 24.625 16.916 1.283 1.00 0.00 N ATOM 1829 CA LYS A 124 25.683 16.651 0.314 1.00 0.00 C ATOM 1830 C LYS A 124 26.987 17.319 0.737 1.00 0.00 C ATOM 1831 O LYS A 124 28.069 16.912 0.314 1.00 0.00 O ATOM 1832 CB LYS A 124 25.269 17.149 -1.072 1.00 0.00 C ATOM 1833 CG LYS A 124 25.048 16.033 -2.079 1.00 0.00 C ATOM 1834 CD LYS A 124 23.843 15.183 -1.713 1.00 0.00 C ATOM 1835 CE LYS A 124 23.916 13.807 -2.358 1.00 0.00 C ATOM 1836 NZ LYS A 124 22.837 12.906 -1.866 1.00 0.00 N ATOM 0 H LYS A 124 23.979 17.656 1.009 1.00 0.00 H new ATOM 0 HA LYS A 124 25.843 15.574 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.352 17.731 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.038 17.822 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 124 24.905 16.460 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 124 25.937 15.404 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.787 15.076 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.930 15.687 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.839 13.909 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.887 13.359 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 22.869 12.008 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 22.975 12.720 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 21.913 13.359 -2.012 1.00 0.00 H new ATOM 1850 N ARG A 125 26.877 18.344 1.576 1.00 0.00 N ATOM 1851 CA ARG A 125 28.049 19.067 2.056 1.00 0.00 C ATOM 1852 C ARG A 125 28.270 18.816 3.545 1.00 0.00 C ATOM 1853 O ARG A 125 29.305 19.183 4.099 1.00 0.00 O ATOM 1854 CB ARG A 125 27.890 20.567 1.799 1.00 0.00 C ATOM 1855 CG ARG A 125 26.729 21.195 2.554 1.00 0.00 C ATOM 1856 CD ARG A 125 27.198 22.327 3.453 1.00 0.00 C ATOM 1857 NE ARG A 125 27.459 23.552 2.701 1.00 0.00 N ATOM 1858 CZ ARG A 125 28.103 24.599 3.203 1.00 0.00 C ATOM 1859 NH1 ARG A 125 28.551 24.571 4.450 1.00 0.00 N ATOM 1860 NH2 ARG A 125 28.302 25.678 2.455 1.00 0.00 N ATOM 0 H ARG A 125 25.989 18.692 1.937 1.00 0.00 H new ATOM 0 HA ARG A 125 28.919 18.702 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.812 21.075 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.749 20.731 0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.994 21.573 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.230 20.435 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 125 26.442 22.523 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 125 28.105 22.023 3.976 1.00 0.00 H new ATOM 0 HE ARG A 125 27.128 23.606 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 125 28.401 23.743 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 125 29.045 25.377 4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 125 27.960 25.703 1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 125 28.797 26.482 2.841 1.00 0.00 H new