USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 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 103 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0117) USER MOD Set 1.2: A 106 CYS SG : rot 151:sc= -0.373 USER MOD Set 2.1: A 41 MET CE :methyl 141:sc= -0.0383 (180deg=-0.265) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 70 SER OG : rot 173:sc= 0.0879 USER MOD Single : A 26 ASN : amide:sc= -3.44 K(o=-3.4,f=-12!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 157:sc= -0.199 (180deg=-2.13) USER MOD Single : A 37 CYS SG : rot 150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0867 K(o=-0.087,f=-1.6!) USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= -0.0822 (180deg=-0.681) USER MOD Single : A 48 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -84:sc= -0.0782 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= -0.268 (180deg=-0.315) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0157 (180deg=-0.23) USER MOD Single : A 81 SER OG : rot 180:sc= -0.595 USER MOD Single : A 86 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.012) USER MOD Single : A 89 LYS NZ :NH3+ -154:sc= -0.0257 (180deg=-0.946!) USER MOD Single : A 90 ASN : amide:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.27) USER MOD Single : A 107 SER OG : rot -120:sc= -0.51 USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= -0.011 (180deg=-0.139) USER MOD Single : A 121 TYR OH : rot 180:sc=-0.00516 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+ -167:sc= 0 (180deg=-0.0761) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.973 20.780 -4.894 1.00 0.00 N ATOM 385 CA ASN A 26 25.282 22.064 -4.850 1.00 0.00 C ATOM 386 C ASN A 26 23.825 21.912 -5.277 1.00 0.00 C ATOM 387 O ASN A 26 22.978 22.737 -4.935 1.00 0.00 O ATOM 388 CB ASN A 26 25.987 23.077 -5.754 1.00 0.00 C ATOM 389 CG ASN A 26 26.314 22.504 -7.120 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.742 21.497 -7.536 1.00 0.00 O ATOM 391 ND2 ASN A 26 27.240 23.146 -7.824 1.00 0.00 N ATOM 0 HA ASN A 26 25.305 22.426 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.353 23.956 -5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.907 23.411 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.503 22.807 -8.750 1.00 0.00 H new ATOM 0 HD22 ASN A 26 27.688 23.977 -7.439 1.00 0.00 H new ATOM 398 N VAL A 27 23.540 20.851 -6.026 1.00 0.00 N ATOM 399 CA VAL A 27 22.186 20.590 -6.498 1.00 0.00 C ATOM 400 C VAL A 27 21.407 19.747 -5.494 1.00 0.00 C ATOM 401 O VAL A 27 21.890 18.717 -5.025 1.00 0.00 O ATOM 402 CB VAL A 27 22.195 19.869 -7.859 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.776 19.553 -8.306 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.917 20.709 -8.902 1.00 0.00 C ATOM 0 H VAL A 27 24.229 20.159 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 27 21.698 21.558 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 27 22.733 18.928 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.803 19.044 -9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.297 18.909 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.210 20.479 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.914 20.184 -9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.409 21.667 -9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.946 20.878 -8.584 1.00 0.00 H new ATOM 414 N GLY A 28 20.197 20.193 -5.168 1.00 0.00 N ATOM 415 CA GLY A 28 19.370 19.467 -4.222 1.00 0.00 C ATOM 416 C GLY A 28 18.183 18.797 -4.884 1.00 0.00 C ATOM 417 O GLY A 28 17.590 19.345 -5.813 1.00 0.00 O ATOM 0 H GLY A 28 19.775 21.043 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.975 18.713 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.014 20.154 -3.454 1.00 0.00 H new ATOM 421 N SER A 29 17.836 17.605 -4.407 1.00 0.00 N ATOM 422 CA SER A 29 16.716 16.856 -4.963 1.00 0.00 C ATOM 423 C SER A 29 15.776 16.384 -3.858 1.00 0.00 C ATOM 424 O SER A 29 16.209 16.077 -2.748 1.00 0.00 O ATOM 425 CB SER A 29 17.224 15.655 -5.763 1.00 0.00 C ATOM 426 OG SER A 29 18.057 14.829 -4.968 1.00 0.00 O ATOM 0 H SER A 29 18.315 17.138 -3.637 1.00 0.00 H new ATOM 0 HA SER A 29 16.163 17.519 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.378 15.076 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.777 16.003 -6.635 1.00 0.00 H new ATOM 0 HG SER A 29 18.368 14.068 -5.501 1.00 0.00 H new ATOM 432 N GLY A 30 14.485 16.329 -4.171 1.00 0.00 N ATOM 433 CA GLY A 30 13.503 15.894 -3.195 1.00 0.00 C ATOM 434 C GLY A 30 12.318 15.198 -3.835 1.00 0.00 C ATOM 435 O GLY A 30 11.787 15.663 -4.843 1.00 0.00 O ATOM 0 H GLY A 30 14.102 16.578 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.977 15.217 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.151 16.756 -2.629 1.00 0.00 H new ATOM 439 N MET A 31 11.903 14.080 -3.249 1.00 0.00 N ATOM 440 CA MET A 31 10.774 13.318 -3.769 1.00 0.00 C ATOM 441 C MET A 31 9.789 12.977 -2.655 1.00 0.00 C ATOM 442 O MET A 31 10.185 12.533 -1.577 1.00 0.00 O ATOM 443 CB MET A 31 11.263 12.036 -4.444 1.00 0.00 C ATOM 444 CG MET A 31 10.138 11.113 -4.885 1.00 0.00 C ATOM 445 SD MET A 31 10.098 9.572 -3.951 1.00 0.00 S ATOM 446 CE MET A 31 8.511 9.713 -3.133 1.00 0.00 C ATOM 0 H MET A 31 12.332 13.682 -2.414 1.00 0.00 H new ATOM 0 HA MET A 31 10.261 13.935 -4.507 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.867 12.300 -5.312 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.914 11.498 -3.755 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.184 11.628 -4.770 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.252 10.888 -5.945 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.152 8.720 -2.861 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.618 10.319 -2.233 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.796 10.186 -3.806 1.00 0.00 H new ATOM 456 N VAL A 32 8.504 13.187 -2.922 1.00 0.00 N ATOM 457 CA VAL A 32 7.463 12.900 -1.942 1.00 0.00 C ATOM 458 C VAL A 32 6.278 12.193 -2.591 1.00 0.00 C ATOM 459 O VAL A 32 5.978 12.410 -3.764 1.00 0.00 O ATOM 460 CB VAL A 32 6.967 14.187 -1.258 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.116 14.898 -0.559 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.298 15.105 -2.270 1.00 0.00 C ATOM 0 H VAL A 32 8.159 13.555 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 32 7.906 12.246 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 32 6.228 13.915 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.746 15.805 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.546 14.240 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.881 15.159 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.954 16.010 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.013 15.371 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.447 14.593 -2.719 1.00 0.00 H new ATOM 472 N GLY A 33 5.606 11.345 -1.817 1.00 0.00 N ATOM 473 CA GLY A 33 4.460 10.619 -2.334 1.00 0.00 C ATOM 474 C GLY A 33 3.525 10.155 -1.235 1.00 0.00 C ATOM 475 O GLY A 33 3.707 10.501 -0.068 1.00 0.00 O ATOM 0 H GLY A 33 5.835 11.148 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.912 11.257 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.807 9.755 -2.901 1.00 0.00 H new ATOM 479 N ALA A 34 2.520 9.370 -1.608 1.00 0.00 N ATOM 480 CA ALA A 34 1.553 8.857 -0.645 1.00 0.00 C ATOM 481 C ALA A 34 0.919 7.562 -1.140 1.00 0.00 C ATOM 482 O ALA A 34 0.778 7.331 -2.341 1.00 0.00 O ATOM 483 CB ALA A 34 0.480 9.900 -0.369 1.00 0.00 C ATOM 0 H ALA A 34 2.354 9.075 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 34 2.082 8.640 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.236 9.504 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.943 10.800 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.037 10.144 -1.297 1.00 0.00 H new ATOM 489 N PRO A 35 0.527 6.695 -0.195 1.00 0.00 N ATOM 490 CA PRO A 35 -0.098 5.407 -0.511 1.00 0.00 C ATOM 491 C PRO A 35 -1.503 5.570 -1.083 1.00 0.00 C ATOM 492 O PRO A 35 -1.836 4.983 -2.111 1.00 0.00 O ATOM 493 CB PRO A 35 -0.151 4.696 0.843 1.00 0.00 C ATOM 494 CG PRO A 35 -0.161 5.795 1.848 1.00 0.00 C ATOM 495 CD PRO A 35 0.664 6.905 1.257 1.00 0.00 C ATOM 0 HA PRO A 35 0.458 4.860 -1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.042 4.073 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.710 4.042 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.178 6.130 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.258 5.460 2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.294 7.885 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.705 6.846 1.575 1.00 0.00 H new ATOM 503 N ALA A 36 -2.322 6.371 -0.409 1.00 0.00 N ATOM 504 CA ALA A 36 -3.689 6.612 -0.851 1.00 0.00 C ATOM 505 C ALA A 36 -3.728 7.637 -1.980 1.00 0.00 C ATOM 506 O ALA A 36 -4.672 7.668 -2.771 1.00 0.00 O ATOM 507 CB ALA A 36 -4.547 7.077 0.316 1.00 0.00 C ATOM 0 H ALA A 36 -2.062 6.864 0.445 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.092 5.674 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.566 7.253 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.554 6.310 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.137 8.001 0.724 1.00 0.00 H new ATOM 513 N CYS A 37 -2.699 8.474 -2.048 1.00 0.00 N ATOM 514 CA CYS A 37 -2.617 9.501 -3.080 1.00 0.00 C ATOM 515 C CYS A 37 -2.201 8.897 -4.417 1.00 0.00 C ATOM 516 O CYS A 37 -2.555 9.409 -5.479 1.00 0.00 O ATOM 517 CB CYS A 37 -1.624 10.589 -2.668 1.00 0.00 C ATOM 518 SG CYS A 37 -1.835 12.154 -3.548 1.00 0.00 S ATOM 0 H CYS A 37 -1.910 8.462 -1.401 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.606 9.945 -3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.724 10.770 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.611 10.224 -2.836 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.466 13.136 -2.781 1.00 0.00 H new ATOM 524 N GLY A 38 -1.445 7.805 -4.358 1.00 0.00 N ATOM 525 CA GLY A 38 -0.991 7.150 -5.571 1.00 0.00 C ATOM 526 C GLY A 38 -0.329 8.113 -6.537 1.00 0.00 C ATOM 527 O GLY A 38 -0.753 8.241 -7.685 1.00 0.00 O ATOM 0 H GLY A 38 -1.139 7.362 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.287 6.359 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.839 6.673 -6.062 1.00 0.00 H new ATOM 531 N ALA A 39 0.714 8.792 -6.071 1.00 0.00 N ATOM 532 CA ALA A 39 1.437 9.747 -6.901 1.00 0.00 C ATOM 533 C ALA A 39 2.782 10.107 -6.281 1.00 0.00 C ATOM 534 O ALA A 39 3.089 9.700 -5.160 1.00 0.00 O ATOM 535 CB ALA A 39 0.600 11.000 -7.114 1.00 0.00 C ATOM 0 H ALA A 39 1.077 8.698 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 39 1.626 9.280 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.152 11.705 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.334 10.734 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.382 11.460 -6.150 1.00 0.00 H new ATOM 541 N VAL A 40 3.583 10.871 -7.017 1.00 0.00 N ATOM 542 CA VAL A 40 4.896 11.285 -6.538 1.00 0.00 C ATOM 543 C VAL A 40 5.294 12.636 -7.123 1.00 0.00 C ATOM 544 O VAL A 40 5.040 12.915 -8.295 1.00 0.00 O ATOM 545 CB VAL A 40 5.977 10.247 -6.894 1.00 0.00 C ATOM 546 CG1 VAL A 40 5.886 9.044 -5.967 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.848 9.821 -8.348 1.00 0.00 C ATOM 0 H VAL A 40 3.345 11.216 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 40 4.825 11.368 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 40 6.956 10.706 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.657 8.321 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.031 9.367 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.904 8.581 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.620 9.088 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.865 9.379 -8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.967 10.691 -8.994 1.00 0.00 H new ATOM 557 N MET A 41 5.919 13.471 -6.300 1.00 0.00 N ATOM 558 CA MET A 41 6.353 14.793 -6.737 1.00 0.00 C ATOM 559 C MET A 41 7.864 14.943 -6.595 1.00 0.00 C ATOM 560 O MET A 41 8.385 15.069 -5.487 1.00 0.00 O ATOM 561 CB MET A 41 5.643 15.880 -5.927 1.00 0.00 C ATOM 562 CG MET A 41 4.158 15.994 -6.234 1.00 0.00 C ATOM 563 SD MET A 41 3.799 17.263 -7.464 1.00 0.00 S ATOM 564 CE MET A 41 3.294 18.621 -6.411 1.00 0.00 C ATOM 0 H MET A 41 6.136 13.256 -5.327 1.00 0.00 H new ATOM 0 HA MET A 41 6.091 14.905 -7.789 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.771 15.672 -4.865 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.121 16.839 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.790 15.032 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.617 16.221 -5.315 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.686 19.556 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.206 18.669 -6.376 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.683 18.465 -5.405 1.00 0.00 H new ATOM 574 N LYS A 42 8.564 14.929 -7.725 1.00 0.00 N ATOM 575 CA LYS A 42 10.015 15.064 -7.728 1.00 0.00 C ATOM 576 C LYS A 42 10.430 16.469 -8.155 1.00 0.00 C ATOM 577 O LYS A 42 10.101 16.917 -9.254 1.00 0.00 O ATOM 578 CB LYS A 42 10.643 14.029 -8.665 1.00 0.00 C ATOM 579 CG LYS A 42 10.278 12.596 -8.319 1.00 0.00 C ATOM 580 CD LYS A 42 11.151 11.602 -9.067 1.00 0.00 C ATOM 581 CE LYS A 42 12.560 11.558 -8.496 1.00 0.00 C ATOM 582 NZ LYS A 42 13.065 10.162 -8.373 1.00 0.00 N ATOM 0 H LYS A 42 8.149 14.825 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 42 10.373 14.891 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.329 14.239 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.727 14.136 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.386 12.441 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.231 12.417 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.704 10.610 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.193 11.874 -10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.230 12.131 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.570 12.036 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.028 10.175 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.440 9.621 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.080 9.714 -9.312 1.00 0.00 H new ATOM 596 N LEU A 43 11.155 17.158 -7.280 1.00 0.00 N ATOM 597 CA LEU A 43 11.616 18.512 -7.567 1.00 0.00 C ATOM 598 C LEU A 43 13.108 18.650 -7.283 1.00 0.00 C ATOM 599 O LEU A 43 13.623 18.075 -6.325 1.00 0.00 O ATOM 600 CB LEU A 43 10.831 19.526 -6.734 1.00 0.00 C ATOM 601 CG LEU A 43 10.024 20.560 -7.521 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.614 20.053 -7.779 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.988 21.887 -6.777 1.00 0.00 C ATOM 0 H LEU A 43 11.436 16.801 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 43 11.446 18.711 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.148 18.980 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.531 20.056 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 43 10.512 20.718 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.055 20.802 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.659 19.128 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.115 19.865 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.410 22.611 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.524 21.744 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.004 22.258 -6.645 1.00 0.00 H new ATOM 615 N GLN A 44 13.796 19.417 -8.123 1.00 0.00 N ATOM 616 CA GLN A 44 15.229 19.632 -7.961 1.00 0.00 C ATOM 617 C GLN A 44 15.572 21.115 -8.057 1.00 0.00 C ATOM 618 O GLN A 44 14.990 21.845 -8.860 1.00 0.00 O ATOM 619 CB GLN A 44 16.007 18.847 -9.019 1.00 0.00 C ATOM 620 CG GLN A 44 16.891 17.755 -8.439 1.00 0.00 C ATOM 621 CD GLN A 44 17.280 16.712 -9.468 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.559 16.482 -10.439 1.00 0.00 O ATOM 623 NE2 GLN A 44 18.426 16.073 -9.259 1.00 0.00 N ATOM 0 H GLN A 44 13.384 19.899 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 44 15.514 19.275 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.301 18.398 -9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.626 19.539 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.793 18.205 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.369 17.270 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.992 16.296 -8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.740 15.360 -9.917 1.00 0.00 H new ATOM 632 N ILE A 45 16.518 21.553 -7.233 1.00 0.00 N ATOM 633 CA ILE A 45 16.938 22.949 -7.226 1.00 0.00 C ATOM 634 C ILE A 45 18.457 23.066 -7.274 1.00 0.00 C ATOM 635 O ILE A 45 19.172 22.072 -7.150 1.00 0.00 O ATOM 636 CB ILE A 45 16.416 23.688 -5.980 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.342 23.437 -4.787 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.996 23.245 -5.657 1.00 0.00 C ATOM 639 CD1 ILE A 45 17.480 21.975 -4.426 1.00 0.00 C ATOM 0 H ILE A 45 17.008 20.962 -6.562 1.00 0.00 H new ATOM 0 HA ILE A 45 16.512 23.411 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 45 16.403 24.758 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 45 18.329 23.842 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.963 23.982 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.641 23.776 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.344 23.469 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.985 22.172 -5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 45 18.150 21.873 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.501 21.570 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 45 17.888 21.427 -5.276 1.00 0.00 H new ATOM 651 N LYS A 46 18.945 24.289 -7.453 1.00 0.00 N ATOM 652 CA LYS A 46 20.381 24.539 -7.515 1.00 0.00 C ATOM 653 C LYS A 46 20.769 25.704 -6.611 1.00 0.00 C ATOM 654 O LYS A 46 20.361 26.843 -6.839 1.00 0.00 O ATOM 655 CB LYS A 46 20.807 24.833 -8.955 1.00 0.00 C ATOM 656 CG LYS A 46 22.274 25.200 -9.092 1.00 0.00 C ATOM 657 CD LYS A 46 23.176 24.103 -8.551 1.00 0.00 C ATOM 658 CE LYS A 46 24.184 23.645 -9.594 1.00 0.00 C ATOM 659 NZ LYS A 46 24.961 24.785 -10.153 1.00 0.00 N ATOM 0 H LYS A 46 18.367 25.123 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 46 20.896 23.644 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.601 23.958 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.199 25.649 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.508 25.381 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.469 26.130 -8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.703 24.466 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.569 23.255 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.868 22.924 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.663 23.130 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.908 24.457 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.468 25.166 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.051 25.530 -9.433 1.00 0.00 H new ATOM 673 N VAL A 47 21.560 25.413 -5.583 1.00 0.00 N ATOM 674 CA VAL A 47 22.006 26.437 -4.646 1.00 0.00 C ATOM 675 C VAL A 47 23.498 26.709 -4.798 1.00 0.00 C ATOM 676 O VAL A 47 24.274 25.810 -5.118 1.00 0.00 O ATOM 677 CB VAL A 47 21.715 26.029 -3.189 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.110 27.145 -2.234 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.248 25.666 -3.021 1.00 0.00 C ATOM 0 H VAL A 47 21.905 24.475 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 47 21.449 27.344 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 47 22.313 25.150 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 47 21.897 26.839 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.175 27.352 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.541 28.044 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.060 25.380 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.629 26.525 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.002 24.832 -3.678 1.00 0.00 H new ATOM 689 N ASN A 48 23.893 27.957 -4.566 1.00 0.00 N ATOM 690 CA ASN A 48 25.294 28.348 -4.677 1.00 0.00 C ATOM 691 C ASN A 48 25.942 28.448 -3.299 1.00 0.00 C ATOM 692 O ASN A 48 25.361 28.031 -2.297 1.00 0.00 O ATOM 693 CB ASN A 48 25.414 29.687 -5.408 1.00 0.00 C ATOM 694 CG ASN A 48 24.078 30.186 -5.924 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.479 29.581 -6.814 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.605 31.295 -5.368 1.00 0.00 N ATOM 0 H ASN A 48 23.263 28.714 -4.300 1.00 0.00 H new ATOM 0 HA ASN A 48 25.816 27.581 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.840 30.429 -4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 48 26.106 29.581 -6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.711 31.679 -5.675 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.135 31.763 -4.633 1.00 0.00 H new ATOM 703 N ASP A 49 27.147 29.004 -3.258 1.00 0.00 N ATOM 704 CA ASP A 49 27.874 29.161 -2.003 1.00 0.00 C ATOM 705 C ASP A 49 27.221 30.225 -1.126 1.00 0.00 C ATOM 706 O ASP A 49 27.565 30.372 0.046 1.00 0.00 O ATOM 707 CB ASP A 49 29.332 29.533 -2.277 1.00 0.00 C ATOM 708 CG ASP A 49 30.288 28.400 -1.960 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.406 28.040 -0.770 1.00 0.00 O ATOM 710 OD2 ASP A 49 30.919 27.874 -2.901 1.00 0.00 O ATOM 0 H ASP A 49 27.642 29.354 -4.079 1.00 0.00 H new ATOM 0 HA ASP A 49 27.843 28.209 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.441 29.815 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.599 30.407 -1.683 1.00 0.00 H new ATOM 715 N GLU A 50 26.279 30.964 -1.703 1.00 0.00 N ATOM 716 CA GLU A 50 25.580 32.015 -0.973 1.00 0.00 C ATOM 717 C GLU A 50 24.351 31.457 -0.260 1.00 0.00 C ATOM 718 O GLU A 50 23.799 32.093 0.637 1.00 0.00 O ATOM 719 CB GLU A 50 25.164 33.138 -1.926 1.00 0.00 C ATOM 720 CG GLU A 50 26.024 34.385 -1.808 1.00 0.00 C ATOM 721 CD GLU A 50 27.498 34.065 -1.656 1.00 0.00 C ATOM 722 OE1 GLU A 50 28.079 33.484 -2.596 1.00 0.00 O ATOM 723 OE2 GLU A 50 28.071 34.395 -0.596 1.00 0.00 O ATOM 0 H GLU A 50 25.982 30.855 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 50 26.262 32.417 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.211 32.770 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.125 33.403 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.880 35.006 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.693 34.970 -0.950 1.00 0.00 H new ATOM 730 N GLY A 51 23.928 30.264 -0.667 1.00 0.00 N ATOM 731 CA GLY A 51 22.768 29.641 -0.058 1.00 0.00 C ATOM 732 C GLY A 51 21.464 30.138 -0.651 1.00 0.00 C ATOM 733 O GLY A 51 20.441 30.182 0.032 1.00 0.00 O ATOM 0 H GLY A 51 24.368 29.718 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 51 22.832 28.560 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.774 29.838 1.014 1.00 0.00 H new ATOM 737 N ILE A 52 21.501 30.515 -1.925 1.00 0.00 N ATOM 738 CA ILE A 52 20.313 31.012 -2.609 1.00 0.00 C ATOM 739 C ILE A 52 20.012 30.187 -3.855 1.00 0.00 C ATOM 740 O ILE A 52 20.923 29.740 -4.552 1.00 0.00 O ATOM 741 CB ILE A 52 20.472 32.490 -3.010 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.702 33.356 -1.770 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.247 32.966 -3.776 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.614 33.220 -0.728 1.00 0.00 C ATOM 0 H ILE A 52 22.340 30.486 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 52 19.483 30.922 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 52 21.342 32.583 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.659 33.088 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.774 34.400 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.375 34.013 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.125 32.365 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.362 32.862 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 52 19.843 33.862 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.658 33.516 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.556 32.184 -0.395 1.00 0.00 H new ATOM 756 N ILE A 53 18.727 29.992 -4.132 1.00 0.00 N ATOM 757 CA ILE A 53 18.305 29.224 -5.296 1.00 0.00 C ATOM 758 C ILE A 53 18.529 30.010 -6.584 1.00 0.00 C ATOM 759 O ILE A 53 17.953 31.080 -6.776 1.00 0.00 O ATOM 760 CB ILE A 53 16.819 28.828 -5.202 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.582 27.942 -3.976 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.380 28.113 -6.471 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.232 26.580 -4.080 1.00 0.00 C ATOM 0 H ILE A 53 17.960 30.356 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 53 18.913 28.320 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 53 16.223 29.734 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.963 28.451 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.509 27.814 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.328 27.840 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.518 28.774 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.979 27.213 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.023 26.007 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.833 26.052 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.310 26.699 -4.193 1.00 0.00 H new ATOM 775 N GLU A 54 19.367 29.469 -7.463 1.00 0.00 N ATOM 776 CA GLU A 54 19.666 30.120 -8.733 1.00 0.00 C ATOM 777 C GLU A 54 18.980 29.398 -9.889 1.00 0.00 C ATOM 778 O GLU A 54 18.706 29.993 -10.931 1.00 0.00 O ATOM 779 CB GLU A 54 21.177 30.162 -8.967 1.00 0.00 C ATOM 780 CG GLU A 54 21.562 30.488 -10.400 1.00 0.00 C ATOM 781 CD GLU A 54 22.971 31.038 -10.515 1.00 0.00 C ATOM 782 OE1 GLU A 54 23.739 30.909 -9.538 1.00 0.00 O ATOM 783 OE2 GLU A 54 23.305 31.597 -11.580 1.00 0.00 O ATOM 0 H GLU A 54 19.850 28.582 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 54 19.285 31.140 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.618 30.905 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.605 29.197 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.476 29.588 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.858 31.215 -10.805 1.00 0.00 H new ATOM 790 N ASP A 55 18.708 28.112 -9.697 1.00 0.00 N ATOM 791 CA ASP A 55 18.055 27.307 -10.722 1.00 0.00 C ATOM 792 C ASP A 55 17.093 26.303 -10.095 1.00 0.00 C ATOM 793 O ASP A 55 17.294 25.860 -8.965 1.00 0.00 O ATOM 794 CB ASP A 55 19.098 26.574 -11.567 1.00 0.00 C ATOM 795 CG ASP A 55 19.243 27.169 -12.954 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.239 27.193 -13.697 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.359 27.612 -13.295 1.00 0.00 O ATOM 0 H ASP A 55 18.930 27.605 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 55 17.484 27.977 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.061 26.607 -11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.819 25.524 -11.653 1.00 0.00 H new ATOM 802 N ALA A 56 16.047 25.951 -10.835 1.00 0.00 N ATOM 803 CA ALA A 56 15.055 24.999 -10.351 1.00 0.00 C ATOM 804 C ALA A 56 14.500 24.156 -11.494 1.00 0.00 C ATOM 805 O ALA A 56 13.952 24.687 -12.461 1.00 0.00 O ATOM 806 CB ALA A 56 13.928 25.729 -9.636 1.00 0.00 C ATOM 0 H ALA A 56 15.865 26.311 -11.772 1.00 0.00 H new ATOM 0 HA ALA A 56 15.545 24.329 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.194 25.006 -9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.333 26.282 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.448 26.423 -10.326 1.00 0.00 H new ATOM 812 N ARG A 57 14.646 22.840 -11.378 1.00 0.00 N ATOM 813 CA ARG A 57 14.160 21.924 -12.404 1.00 0.00 C ATOM 814 C ARG A 57 12.969 21.119 -11.893 1.00 0.00 C ATOM 815 O ARG A 57 12.603 21.207 -10.721 1.00 0.00 O ATOM 816 CB ARG A 57 15.279 20.977 -12.843 1.00 0.00 C ATOM 817 CG ARG A 57 15.737 21.199 -14.275 1.00 0.00 C ATOM 818 CD ARG A 57 17.253 21.253 -14.373 1.00 0.00 C ATOM 819 NE ARG A 57 17.777 22.572 -14.025 1.00 0.00 N ATOM 820 CZ ARG A 57 19.050 22.920 -14.176 1.00 0.00 C ATOM 821 NH1 ARG A 57 19.925 22.052 -14.665 1.00 0.00 N ATOM 822 NH2 ARG A 57 19.451 24.139 -13.837 1.00 0.00 N ATOM 0 H ARG A 57 15.097 22.384 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 57 13.836 22.515 -13.261 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.131 21.100 -12.175 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.936 19.948 -12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.359 20.396 -14.908 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.314 22.129 -14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.686 20.504 -13.710 1.00 0.00 H new ATOM 0 HD3 ARG A 57 17.560 20.997 -15.387 1.00 0.00 H new ATOM 0 HE ARG A 57 17.130 23.263 -13.645 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.621 21.114 -14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 57 20.902 22.322 -14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.781 24.810 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 57 20.429 24.405 -13.953 1.00 0.00 H new ATOM 836 N PHE A 58 12.368 20.334 -12.781 1.00 0.00 N ATOM 837 CA PHE A 58 11.217 19.514 -12.421 1.00 0.00 C ATOM 838 C PHE A 58 10.994 18.408 -13.449 1.00 0.00 C ATOM 839 O PHE A 58 11.293 18.574 -14.632 1.00 0.00 O ATOM 840 CB PHE A 58 9.961 20.382 -12.309 1.00 0.00 C ATOM 841 CG PHE A 58 8.703 19.590 -12.092 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.474 18.945 -10.888 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.749 19.492 -13.092 1.00 0.00 C ATOM 844 CE1 PHE A 58 7.318 18.215 -10.686 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.591 18.764 -12.896 1.00 0.00 C ATOM 846 CZ PHE A 58 6.375 18.125 -11.691 1.00 0.00 C ATOM 0 H PHE A 58 12.659 20.248 -13.755 1.00 0.00 H new ATOM 0 HA PHE A 58 11.419 19.052 -11.455 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.086 21.084 -11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.856 20.974 -13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.207 19.013 -10.098 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.912 19.991 -14.036 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.152 17.715 -9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.856 18.695 -13.684 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.470 17.556 -11.535 1.00 0.00 H new ATOM 856 N LYS A 59 10.469 17.278 -12.988 1.00 0.00 N ATOM 857 CA LYS A 59 10.205 16.143 -13.865 1.00 0.00 C ATOM 858 C LYS A 59 8.854 15.511 -13.544 1.00 0.00 C ATOM 859 O LYS A 59 8.510 15.313 -12.379 1.00 0.00 O ATOM 860 CB LYS A 59 11.315 15.098 -13.729 1.00 0.00 C ATOM 861 CG LYS A 59 11.980 14.742 -15.047 1.00 0.00 C ATOM 862 CD LYS A 59 11.767 13.280 -15.402 1.00 0.00 C ATOM 863 CE LYS A 59 11.708 13.075 -16.908 1.00 0.00 C ATOM 864 NZ LYS A 59 10.591 12.172 -17.302 1.00 0.00 N ATOM 0 H LYS A 59 10.218 17.124 -12.012 1.00 0.00 H new ATOM 0 HA LYS A 59 10.181 16.507 -14.892 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.072 15.472 -13.039 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.899 14.193 -13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.578 15.372 -15.840 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.048 14.950 -14.985 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.576 12.681 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.841 12.926 -14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.586 14.039 -17.401 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.653 12.656 -17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.585 12.058 -18.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.720 11.243 -16.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.687 12.583 -16.994 1.00 0.00 H new ATOM 978 N ALA A 68 0.122 21.966 -12.102 1.00 0.00 N ATOM 979 CA ALA A 68 0.256 23.354 -11.677 1.00 0.00 C ATOM 980 C ALA A 68 0.892 23.445 -10.295 1.00 0.00 C ATOM 981 O ALA A 68 1.747 24.297 -10.049 1.00 0.00 O ATOM 982 CB ALA A 68 -1.102 24.040 -11.682 1.00 0.00 C ATOM 0 HA ALA A 68 0.911 23.864 -12.384 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.988 25.076 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.519 24.015 -12.689 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.774 23.522 -10.998 1.00 0.00 H new ATOM 988 N SER A 69 0.470 22.563 -9.394 1.00 0.00 N ATOM 989 CA SER A 69 0.996 22.548 -8.034 1.00 0.00 C ATOM 990 C SER A 69 2.518 22.439 -8.042 1.00 0.00 C ATOM 991 O SER A 69 3.192 22.948 -7.146 1.00 0.00 O ATOM 992 CB SER A 69 0.394 21.383 -7.245 1.00 0.00 C ATOM 993 OG SER A 69 0.656 20.145 -7.883 1.00 0.00 O ATOM 0 H SER A 69 -0.235 21.850 -9.582 1.00 0.00 H new ATOM 0 HA SER A 69 0.719 23.486 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.808 21.371 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.682 21.524 -7.146 1.00 0.00 H new ATOM 0 HG SER A 69 0.263 19.417 -7.358 1.00 0.00 H new ATOM 999 N SER A 70 3.052 21.772 -9.059 1.00 0.00 N ATOM 1000 CA SER A 70 4.494 21.592 -9.182 1.00 0.00 C ATOM 1001 C SER A 70 5.134 22.792 -9.873 1.00 0.00 C ATOM 1002 O SER A 70 6.158 23.307 -9.424 1.00 0.00 O ATOM 1003 CB SER A 70 4.805 20.314 -9.964 1.00 0.00 C ATOM 1004 OG SER A 70 3.615 19.685 -10.407 1.00 0.00 O ATOM 0 H SER A 70 2.508 21.347 -9.810 1.00 0.00 H new ATOM 0 HA SER A 70 4.911 21.507 -8.179 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.435 20.553 -10.821 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.370 19.627 -9.334 1.00 0.00 H new ATOM 0 HG SER A 70 3.841 18.933 -10.993 1.00 0.00 H new ATOM 1010 N SER A 71 4.522 23.233 -10.968 1.00 0.00 N ATOM 1011 CA SER A 71 5.033 24.370 -11.724 1.00 0.00 C ATOM 1012 C SER A 71 4.985 25.645 -10.886 1.00 0.00 C ATOM 1013 O SER A 71 5.716 26.601 -11.147 1.00 0.00 O ATOM 1014 CB SER A 71 4.226 24.560 -13.009 1.00 0.00 C ATOM 1015 OG SER A 71 4.726 23.740 -14.051 1.00 0.00 O ATOM 0 H SER A 71 3.672 22.820 -11.351 1.00 0.00 H new ATOM 0 HA SER A 71 6.072 24.165 -11.983 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.179 24.320 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.264 25.606 -13.315 1.00 0.00 H new ATOM 0 HG SER A 71 4.192 23.879 -14.861 1.00 0.00 H new ATOM 1021 N LEU A 72 4.118 25.651 -9.880 1.00 0.00 N ATOM 1022 CA LEU A 72 3.972 26.808 -9.003 1.00 0.00 C ATOM 1023 C LEU A 72 5.066 26.826 -7.940 1.00 0.00 C ATOM 1024 O LEU A 72 5.721 27.847 -7.725 1.00 0.00 O ATOM 1025 CB LEU A 72 2.596 26.796 -8.335 1.00 0.00 C ATOM 1026 CG LEU A 72 2.138 28.118 -7.717 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.917 28.410 -6.444 1.00 0.00 C ATOM 1028 CD2 LEU A 72 2.297 29.256 -8.715 1.00 0.00 C ATOM 0 H LEU A 72 3.505 24.868 -9.651 1.00 0.00 H new ATOM 0 HA LEU A 72 4.066 27.708 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.857 26.489 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.600 26.035 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 72 1.082 28.031 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.578 29.354 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.752 27.608 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.980 28.478 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.966 30.189 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.345 29.344 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.694 29.051 -9.600 1.00 0.00 H new ATOM 1040 N VAL A 73 5.260 25.690 -7.278 1.00 0.00 N ATOM 1041 CA VAL A 73 6.277 25.574 -6.239 1.00 0.00 C ATOM 1042 C VAL A 73 7.675 25.764 -6.816 1.00 0.00 C ATOM 1043 O VAL A 73 8.593 26.199 -6.119 1.00 0.00 O ATOM 1044 CB VAL A 73 6.205 24.207 -5.534 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.930 24.096 -4.712 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.295 23.078 -6.550 1.00 0.00 C ATOM 0 H VAL A 73 4.726 24.837 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 73 6.078 26.360 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 73 7.054 24.123 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.897 23.123 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.913 24.883 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.065 24.202 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.243 22.119 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.468 23.156 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.239 23.148 -7.090 1.00 0.00 H new ATOM 1056 N THR A 74 7.832 25.435 -8.094 1.00 0.00 N ATOM 1057 CA THR A 74 9.119 25.568 -8.766 1.00 0.00 C ATOM 1058 C THR A 74 9.479 27.034 -8.978 1.00 0.00 C ATOM 1059 O THR A 74 10.567 27.474 -8.609 1.00 0.00 O ATOM 1060 CB THR A 74 9.119 24.849 -10.128 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.819 24.928 -10.724 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.521 23.390 -9.969 1.00 0.00 C ATOM 0 H THR A 74 7.083 25.074 -8.685 1.00 0.00 H new ATOM 0 HA THR A 74 9.863 25.104 -8.119 1.00 0.00 H new ATOM 0 HB THR A 74 9.845 25.342 -10.774 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.252 24.211 -10.369 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.514 22.902 -10.944 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.522 23.333 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.815 22.888 -9.307 1.00 0.00 H new ATOM 1070 N GLU A 75 8.558 27.785 -9.574 1.00 0.00 N ATOM 1071 CA GLU A 75 8.780 29.202 -9.835 1.00 0.00 C ATOM 1072 C GLU A 75 8.965 29.973 -8.531 1.00 0.00 C ATOM 1073 O GLU A 75 9.513 31.075 -8.522 1.00 0.00 O ATOM 1074 CB GLU A 75 7.608 29.788 -10.624 1.00 0.00 C ATOM 1075 CG GLU A 75 6.256 29.550 -9.974 1.00 0.00 C ATOM 1076 CD GLU A 75 5.113 30.162 -10.760 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.690 29.554 -11.765 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.642 31.251 -10.370 1.00 0.00 O ATOM 0 H GLU A 75 7.652 27.436 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 75 9.691 29.298 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.761 30.861 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.602 29.355 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.089 28.477 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.263 29.967 -8.967 1.00 0.00 H new ATOM 1085 N TRP A 76 8.505 29.385 -7.433 1.00 0.00 N ATOM 1086 CA TRP A 76 8.619 30.016 -6.123 1.00 0.00 C ATOM 1087 C TRP A 76 10.031 29.868 -5.568 1.00 0.00 C ATOM 1088 O TRP A 76 10.638 30.840 -5.119 1.00 0.00 O ATOM 1089 CB TRP A 76 7.609 29.405 -5.150 1.00 0.00 C ATOM 1090 CG TRP A 76 6.561 30.376 -4.695 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.222 30.139 -4.574 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.767 31.737 -4.301 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.582 31.271 -4.129 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.508 32.265 -3.954 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.892 32.560 -4.207 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.346 33.578 -3.521 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.729 33.864 -3.777 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.464 34.362 -3.438 1.00 0.00 C ATOM 0 H TRP A 76 8.050 28.472 -7.423 1.00 0.00 H new ATOM 0 HA TRP A 76 8.404 31.078 -6.240 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.123 28.554 -5.628 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.140 29.020 -4.280 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.737 29.200 -4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.580 31.357 -3.957 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.871 32.185 -4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.372 33.964 -3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.591 34.510 -3.701 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.370 35.385 -3.105 1.00 0.00 H new ATOM 1109 N VAL A 77 10.551 28.645 -5.603 1.00 0.00 N ATOM 1110 CA VAL A 77 11.893 28.370 -5.105 1.00 0.00 C ATOM 1111 C VAL A 77 12.950 29.044 -5.972 1.00 0.00 C ATOM 1112 O VAL A 77 14.005 29.448 -5.483 1.00 0.00 O ATOM 1113 CB VAL A 77 12.174 26.856 -5.055 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.328 26.190 -3.981 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.920 26.223 -6.415 1.00 0.00 C ATOM 0 H VAL A 77 10.063 27.829 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 77 11.945 28.775 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 77 13.223 26.707 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.541 25.121 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.564 26.625 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.272 26.346 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.123 25.153 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.880 26.381 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.574 26.680 -7.157 1.00 0.00 H new ATOM 1125 N LYS A 78 12.659 29.164 -7.263 1.00 0.00 N ATOM 1126 CA LYS A 78 13.583 29.791 -8.201 1.00 0.00 C ATOM 1127 C LYS A 78 13.918 31.214 -7.765 1.00 0.00 C ATOM 1128 O LYS A 78 13.156 32.146 -8.017 1.00 0.00 O ATOM 1129 CB LYS A 78 12.982 29.806 -9.608 1.00 0.00 C ATOM 1130 CG LYS A 78 13.595 28.776 -10.542 1.00 0.00 C ATOM 1131 CD LYS A 78 13.908 29.374 -11.903 1.00 0.00 C ATOM 1132 CE LYS A 78 12.730 29.237 -12.856 1.00 0.00 C ATOM 1133 NZ LYS A 78 11.614 30.154 -12.494 1.00 0.00 N ATOM 0 H LYS A 78 11.790 28.835 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 78 14.503 29.206 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.909 29.627 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.112 30.799 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.509 28.380 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.909 27.937 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.164 30.427 -11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.781 28.878 -12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.059 29.449 -13.873 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.372 28.207 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.866 30.092 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.227 29.881 -11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.969 31.130 -12.446 1.00 0.00 H new ATOM 1147 N GLY A 79 15.064 31.373 -7.110 1.00 0.00 N ATOM 1148 CA GLY A 79 15.480 32.686 -6.651 1.00 0.00 C ATOM 1149 C GLY A 79 15.380 32.832 -5.145 1.00 0.00 C ATOM 1150 O GLY A 79 16.027 33.697 -4.554 1.00 0.00 O ATOM 0 H GLY A 79 15.712 30.617 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.508 32.868 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.863 33.447 -7.129 1.00 0.00 H new ATOM 1154 N LYS A 80 14.565 31.987 -4.523 1.00 0.00 N ATOM 1155 CA LYS A 80 14.381 32.025 -3.077 1.00 0.00 C ATOM 1156 C LYS A 80 15.548 31.352 -2.362 1.00 0.00 C ATOM 1157 O LYS A 80 16.340 30.640 -2.980 1.00 0.00 O ATOM 1158 CB LYS A 80 13.069 31.339 -2.691 1.00 0.00 C ATOM 1159 CG LYS A 80 12.165 32.199 -1.824 1.00 0.00 C ATOM 1160 CD LYS A 80 11.408 33.223 -2.652 1.00 0.00 C ATOM 1161 CE LYS A 80 10.450 34.036 -1.794 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.382 35.457 -2.233 1.00 0.00 N ATOM 0 H LYS A 80 14.021 31.267 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 80 14.342 33.070 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.532 31.063 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.295 30.414 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.456 31.563 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.762 32.710 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.116 33.891 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.851 32.716 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.455 33.593 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.769 33.992 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.560 35.918 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.251 35.951 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.287 35.496 -3.268 1.00 0.00 H new ATOM 1176 N SER A 81 15.648 31.581 -1.057 1.00 0.00 N ATOM 1177 CA SER A 81 16.720 30.999 -0.258 1.00 0.00 C ATOM 1178 C SER A 81 16.284 29.669 0.349 1.00 0.00 C ATOM 1179 O SER A 81 15.157 29.217 0.140 1.00 0.00 O ATOM 1180 CB SER A 81 17.142 31.965 0.851 1.00 0.00 C ATOM 1181 OG SER A 81 18.352 31.547 1.458 1.00 0.00 O ATOM 0 H SER A 81 14.999 32.166 -0.530 1.00 0.00 H new ATOM 0 HA SER A 81 17.571 30.818 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.266 32.966 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.356 32.025 1.604 1.00 0.00 H new ATOM 0 HG SER A 81 18.601 32.182 2.162 1.00 0.00 H new ATOM 1187 N LEU A 82 17.184 29.046 1.102 1.00 0.00 N ATOM 1188 CA LEU A 82 16.894 27.767 1.741 1.00 0.00 C ATOM 1189 C LEU A 82 15.833 27.928 2.825 1.00 0.00 C ATOM 1190 O LEU A 82 14.883 27.148 2.899 1.00 0.00 O ATOM 1191 CB LEU A 82 18.169 27.175 2.343 1.00 0.00 C ATOM 1192 CG LEU A 82 19.422 27.251 1.471 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.625 26.690 2.213 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.207 26.507 0.161 1.00 0.00 C ATOM 0 H LEU A 82 18.121 29.406 1.285 1.00 0.00 H new ATOM 0 HA LEU A 82 16.509 27.088 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.374 27.686 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.981 26.129 2.583 1.00 0.00 H new ATOM 0 HG LEU A 82 19.618 28.299 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.507 26.753 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.793 27.266 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.439 25.648 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.110 26.572 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.984 25.461 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.373 26.955 -0.379 1.00 0.00 H new ATOM 1206 N ASP A 83 16.000 28.946 3.662 1.00 0.00 N ATOM 1207 CA ASP A 83 15.055 29.212 4.740 1.00 0.00 C ATOM 1208 C ASP A 83 13.713 29.678 4.184 1.00 0.00 C ATOM 1209 O ASP A 83 12.657 29.227 4.627 1.00 0.00 O ATOM 1210 CB ASP A 83 15.620 30.266 5.694 1.00 0.00 C ATOM 1211 CG ASP A 83 16.219 29.653 6.945 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.012 28.698 6.816 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.894 30.130 8.052 1.00 0.00 O ATOM 0 H ASP A 83 16.781 29.600 3.615 1.00 0.00 H new ATOM 0 HA ASP A 83 14.897 28.284 5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.383 30.848 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.827 30.959 5.976 1.00 0.00 H new ATOM 1218 N GLU A 84 13.763 30.584 3.212 1.00 0.00 N ATOM 1219 CA GLU A 84 12.551 31.112 2.598 1.00 0.00 C ATOM 1220 C GLU A 84 11.670 29.982 2.073 1.00 0.00 C ATOM 1221 O GLU A 84 10.490 29.893 2.410 1.00 0.00 O ATOM 1222 CB GLU A 84 12.906 32.068 1.457 1.00 0.00 C ATOM 1223 CG GLU A 84 13.218 33.481 1.922 1.00 0.00 C ATOM 1224 CD GLU A 84 12.060 34.120 2.664 1.00 0.00 C ATOM 1225 OE1 GLU A 84 10.902 33.736 2.400 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.314 35.004 3.509 1.00 0.00 O ATOM 0 H GLU A 84 14.629 30.967 2.833 1.00 0.00 H new ATOM 0 HA GLU A 84 11.996 31.658 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.767 31.673 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.076 32.102 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.094 33.461 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.475 34.095 1.059 1.00 0.00 H new ATOM 1233 N ALA A 85 12.253 29.121 1.246 1.00 0.00 N ATOM 1234 CA ALA A 85 11.523 27.995 0.675 1.00 0.00 C ATOM 1235 C ALA A 85 11.091 27.014 1.760 1.00 0.00 C ATOM 1236 O ALA A 85 9.982 26.483 1.723 1.00 0.00 O ATOM 1237 CB ALA A 85 12.374 27.289 -0.370 1.00 0.00 C ATOM 0 H ALA A 85 13.229 29.181 0.956 1.00 0.00 H new ATOM 0 HA ALA A 85 10.625 28.383 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.816 26.451 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.627 27.989 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.289 26.921 0.094 1.00 0.00 H new ATOM 1243 N GLN A 86 11.975 26.779 2.724 1.00 0.00 N ATOM 1244 CA GLN A 86 11.685 25.860 3.818 1.00 0.00 C ATOM 1245 C GLN A 86 10.567 26.402 4.702 1.00 0.00 C ATOM 1246 O GLN A 86 9.897 25.646 5.405 1.00 0.00 O ATOM 1247 CB GLN A 86 12.942 25.618 4.656 1.00 0.00 C ATOM 1248 CG GLN A 86 12.830 24.424 5.590 1.00 0.00 C ATOM 1249 CD GLN A 86 12.730 24.829 7.047 1.00 0.00 C ATOM 1250 OE1 GLN A 86 11.798 24.437 7.750 1.00 0.00 O ATOM 1251 NE2 GLN A 86 13.692 25.620 7.509 1.00 0.00 N ATOM 0 H GLN A 86 12.897 27.212 2.770 1.00 0.00 H new ATOM 0 HA GLN A 86 11.357 24.914 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.790 25.468 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 86 13.154 26.511 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.952 23.837 5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.699 23.779 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.446 25.921 6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.677 25.926 8.482 1.00 0.00 H new ATOM 1260 N ALA A 87 10.372 27.716 4.662 1.00 0.00 N ATOM 1261 CA ALA A 87 9.334 28.359 5.458 1.00 0.00 C ATOM 1262 C ALA A 87 7.985 28.305 4.748 1.00 0.00 C ATOM 1263 O ALA A 87 6.961 28.693 5.311 1.00 0.00 O ATOM 1264 CB ALA A 87 9.717 29.800 5.760 1.00 0.00 C ATOM 0 H ALA A 87 10.919 28.356 4.087 1.00 0.00 H new ATOM 0 HA ALA A 87 9.242 27.815 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.933 30.268 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.654 29.818 6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.839 30.348 4.825 1.00 0.00 H new ATOM 1270 N ILE A 88 7.993 27.824 3.510 1.00 0.00 N ATOM 1271 CA ILE A 88 6.770 27.720 2.724 1.00 0.00 C ATOM 1272 C ILE A 88 5.775 26.768 3.378 1.00 0.00 C ATOM 1273 O ILE A 88 6.159 25.749 3.953 1.00 0.00 O ATOM 1274 CB ILE A 88 7.060 27.235 1.291 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.945 28.245 0.557 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.760 27.012 0.533 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.325 27.811 -0.841 1.00 0.00 C ATOM 0 H ILE A 88 8.832 27.500 3.029 1.00 0.00 H new ATOM 0 HA ILE A 88 6.338 28.720 2.680 1.00 0.00 H new ATOM 0 HB ILE A 88 7.593 26.286 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.424 29.201 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.853 28.409 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.982 26.670 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.163 26.259 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.202 27.947 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.952 28.575 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.874 26.871 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.423 27.674 -1.437 1.00 0.00 H new ATOM 1289 N LYS A 89 4.493 27.105 3.287 1.00 0.00 N ATOM 1290 CA LYS A 89 3.440 26.280 3.867 1.00 0.00 C ATOM 1291 C LYS A 89 2.451 25.828 2.798 1.00 0.00 C ATOM 1292 O LYS A 89 2.121 26.584 1.885 1.00 0.00 O ATOM 1293 CB LYS A 89 2.704 27.053 4.964 1.00 0.00 C ATOM 1294 CG LYS A 89 3.197 26.737 6.366 1.00 0.00 C ATOM 1295 CD LYS A 89 4.497 27.459 6.675 1.00 0.00 C ATOM 1296 CE LYS A 89 4.260 28.932 6.971 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.424 29.775 5.754 1.00 0.00 N ATOM 0 H LYS A 89 4.158 27.945 2.816 1.00 0.00 H new ATOM 0 HA LYS A 89 3.905 25.396 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.815 28.122 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.639 26.828 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.438 27.025 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.344 25.662 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.981 26.988 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.178 27.362 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.255 29.065 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.957 29.265 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.693 30.740 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.167 29.370 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.527 29.804 5.228 1.00 0.00 H new ATOM 1311 N ASN A 90 1.980 24.591 2.918 1.00 0.00 N ATOM 1312 CA ASN A 90 1.028 24.040 1.962 1.00 0.00 C ATOM 1313 C ASN A 90 -0.144 24.994 1.748 1.00 0.00 C ATOM 1314 O ASN A 90 -0.693 25.086 0.650 1.00 0.00 O ATOM 1315 CB ASN A 90 0.513 22.683 2.447 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.508 22.817 3.561 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -0.161 22.791 4.742 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.774 22.961 3.188 1.00 0.00 N ATOM 0 H ASN A 90 2.242 23.952 3.668 1.00 0.00 H new ATOM 0 HA ASN A 90 1.543 23.907 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.065 22.147 1.610 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.353 22.083 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.506 23.056 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.015 22.977 2.197 1.00 0.00 H new ATOM 1325 N THR A 91 -0.522 25.704 2.807 1.00 0.00 N ATOM 1326 CA THR A 91 -1.628 26.651 2.737 1.00 0.00 C ATOM 1327 C THR A 91 -1.388 27.696 1.653 1.00 0.00 C ATOM 1328 O THR A 91 -2.328 28.158 1.005 1.00 0.00 O ATOM 1329 CB THR A 91 -1.842 27.365 4.085 1.00 0.00 C ATOM 1330 OG1 THR A 91 -2.987 28.221 4.008 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.616 28.181 4.465 1.00 0.00 C ATOM 0 H THR A 91 -0.078 25.641 3.723 1.00 0.00 H new ATOM 0 HA THR A 91 -2.522 26.077 2.493 1.00 0.00 H new ATOM 0 HB THR A 91 -2.006 26.608 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.118 28.670 4.869 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.790 28.676 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.248 27.522 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.426 28.931 3.697 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.127 28.065 1.462 1.00 0.00 N ATOM 1340 CA ASP A 92 0.236 29.055 0.454 1.00 0.00 C ATOM 1341 C ASP A 92 0.121 28.470 -0.949 1.00 0.00 C ATOM 1342 O ASP A 92 -0.283 29.157 -1.888 1.00 0.00 O ATOM 1343 CB ASP A 92 1.660 29.560 0.694 1.00 0.00 C ATOM 1344 CG ASP A 92 1.698 30.779 1.595 1.00 0.00 C ATOM 1345 OD1 ASP A 92 1.239 31.855 1.157 1.00 0.00 O ATOM 1346 OD2 ASP A 92 2.185 30.657 2.738 1.00 0.00 O ATOM 0 H ASP A 92 0.662 27.694 1.992 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.457 29.892 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.255 28.763 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.122 29.804 -0.263 1.00 0.00 H new ATOM 1351 N ILE A 93 0.479 27.197 -1.086 1.00 0.00 N ATOM 1352 CA ILE A 93 0.415 26.520 -2.375 1.00 0.00 C ATOM 1353 C ILE A 93 -1.015 26.108 -2.709 1.00 0.00 C ATOM 1354 O ILE A 93 -1.371 25.958 -3.878 1.00 0.00 O ATOM 1355 CB ILE A 93 1.316 25.272 -2.400 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.782 25.670 -2.213 1.00 0.00 C ATOM 1357 CG2 ILE A 93 1.131 24.511 -3.705 1.00 0.00 C ATOM 1358 CD1 ILE A 93 3.280 25.490 -0.796 1.00 0.00 C ATOM 0 H ILE A 93 0.816 26.614 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 93 0.770 27.229 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 93 1.029 24.618 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.400 25.075 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.907 26.713 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.775 23.631 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.091 24.200 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.395 25.156 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.326 25.791 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.686 26.106 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.187 24.443 -0.508 1.00 0.00 H new ATOM 1370 N ALA A 94 -1.830 25.928 -1.676 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.222 25.538 -1.860 1.00 0.00 C ATOM 1372 C ALA A 94 -4.040 26.682 -2.449 1.00 0.00 C ATOM 1373 O ALA A 94 -4.755 26.502 -3.434 1.00 0.00 O ATOM 1374 CB ALA A 94 -3.822 25.083 -0.537 1.00 0.00 C ATOM 0 H ALA A 94 -1.550 26.046 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.250 24.707 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.862 24.795 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.261 24.229 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.774 25.899 0.184 1.00 0.00 H new ATOM 1380 N GLU A 95 -3.930 27.857 -1.838 1.00 0.00 N ATOM 1381 CA GLU A 95 -4.662 29.030 -2.303 1.00 0.00 C ATOM 1382 C GLU A 95 -4.002 29.627 -3.542 1.00 0.00 C ATOM 1383 O GLU A 95 -4.647 30.323 -4.326 1.00 0.00 O ATOM 1384 CB GLU A 95 -4.738 30.083 -1.195 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.387 29.576 0.083 1.00 0.00 C ATOM 1386 CD GLU A 95 -6.898 29.704 0.060 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.535 29.070 -0.807 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.443 30.438 0.911 1.00 0.00 O ATOM 0 H GLU A 95 -3.342 28.022 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.672 28.716 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.731 30.432 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.299 30.943 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.117 28.531 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.992 30.133 0.933 1.00 0.00 H new ATOM 1395 N GLU A 96 -2.713 29.350 -3.711 1.00 0.00 N ATOM 1396 CA GLU A 96 -1.966 29.861 -4.854 1.00 0.00 C ATOM 1397 C GLU A 96 -2.635 29.460 -6.165 1.00 0.00 C ATOM 1398 O GLU A 96 -2.914 30.305 -7.017 1.00 0.00 O ATOM 1399 CB GLU A 96 -0.527 29.342 -4.824 1.00 0.00 C ATOM 1400 CG GLU A 96 0.489 30.387 -4.395 1.00 0.00 C ATOM 1401 CD GLU A 96 0.815 31.372 -5.502 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.127 31.980 -6.052 1.00 0.00 O ATOM 1403 OE2 GLU A 96 2.012 31.535 -5.816 1.00 0.00 O ATOM 0 H GLU A 96 -2.165 28.775 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.954 30.949 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.471 28.492 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.261 28.975 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.104 30.930 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.404 29.889 -4.076 1.00 0.00 H new ATOM 1410 N LEU A 97 -2.890 28.165 -6.321 1.00 0.00 N ATOM 1411 CA LEU A 97 -3.527 27.650 -7.528 1.00 0.00 C ATOM 1412 C LEU A 97 -4.944 27.170 -7.234 1.00 0.00 C ATOM 1413 O LEU A 97 -5.645 26.692 -8.125 1.00 0.00 O ATOM 1414 CB LEU A 97 -2.700 26.505 -8.116 1.00 0.00 C ATOM 1415 CG LEU A 97 -1.188 26.727 -8.167 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -0.475 25.762 -7.232 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -0.674 26.570 -9.590 1.00 0.00 C ATOM 0 H LEU A 97 -2.665 27.453 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.582 28.461 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.896 25.605 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.053 26.311 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.978 27.744 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.600 25.935 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.821 25.922 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.692 24.737 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.404 26.731 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.896 25.565 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.161 27.301 -10.235 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.360 27.304 -5.979 1.00 0.00 N ATOM 1430 CA GLU A 98 -6.695 26.885 -5.568 1.00 0.00 C ATOM 1431 C GLU A 98 -6.971 25.448 -6.000 1.00 0.00 C ATOM 1432 O GLU A 98 -7.889 25.187 -6.779 1.00 0.00 O ATOM 1433 CB GLU A 98 -7.752 27.819 -6.162 1.00 0.00 C ATOM 1434 CG GLU A 98 -7.595 29.268 -5.731 1.00 0.00 C ATOM 1435 CD GLU A 98 -8.870 30.070 -5.907 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -9.614 29.799 -6.872 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.123 30.970 -5.078 1.00 0.00 O ATOM 0 H GLU A 98 -4.792 27.699 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.745 26.936 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.703 27.765 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.741 27.467 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.291 29.301 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.796 29.731 -6.310 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.170 24.519 -5.489 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.326 23.107 -5.821 1.00 0.00 C ATOM 1446 C LEU A 99 -7.753 22.639 -5.553 1.00 0.00 C ATOM 1447 O LEU A 99 -8.445 23.150 -4.671 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.340 22.261 -5.014 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.102 21.774 -5.767 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -3.187 22.941 -6.102 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.357 20.728 -4.949 1.00 0.00 C ATOM 0 H LEU A 99 -5.406 24.718 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.116 22.984 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.012 22.844 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.871 21.391 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.426 21.314 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.311 22.575 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.722 23.655 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.870 23.431 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.479 20.393 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.045 21.163 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.013 19.878 -4.761 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.205 21.643 -6.329 1.00 0.00 N ATOM 1464 CA PRO A 100 -9.553 21.082 -6.193 1.00 0.00 C ATOM 1465 C PRO A 100 -9.721 20.286 -4.903 1.00 0.00 C ATOM 1466 O PRO A 100 -8.760 19.766 -4.336 1.00 0.00 O ATOM 1467 CB PRO A 100 -9.679 20.163 -7.410 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.277 19.792 -7.752 1.00 0.00 C ATOM 1469 CD PRO A 100 -7.435 20.987 -7.399 1.00 0.00 C ATOM 0 HA PRO A 100 -10.316 21.859 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.277 19.281 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.168 20.671 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.959 18.912 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.185 19.548 -8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.443 20.693 -7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.295 21.647 -8.255 1.00 0.00 H new ATOM 1477 N PRO A 101 -10.971 20.185 -4.428 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.295 19.452 -3.201 1.00 0.00 C ATOM 1479 C PRO A 101 -11.132 17.945 -3.366 1.00 0.00 C ATOM 1480 O PRO A 101 -11.165 17.196 -2.389 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.763 19.807 -2.952 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.303 20.149 -4.298 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.165 20.779 -5.052 1.00 0.00 C ATOM 0 HA PRO A 101 -10.632 19.721 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.303 18.970 -2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.856 20.646 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.666 19.258 -4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.146 20.836 -4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.216 20.554 -6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.171 21.865 -4.955 1.00 0.00 H new ATOM 1491 N VAL A 102 -10.955 17.506 -4.608 1.00 0.00 N ATOM 1492 CA VAL A 102 -10.785 16.087 -4.900 1.00 0.00 C ATOM 1493 C VAL A 102 -9.713 15.467 -4.011 1.00 0.00 C ATOM 1494 O VAL A 102 -9.893 14.375 -3.472 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.406 15.860 -6.376 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -11.588 16.165 -7.284 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -9.201 16.709 -6.753 1.00 0.00 C ATOM 0 H VAL A 102 -10.926 18.112 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.742 15.606 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.139 14.811 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.301 15.999 -8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.421 15.511 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.889 17.204 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.947 16.536 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.438 17.763 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.353 16.437 -6.124 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.597 16.172 -3.861 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.494 15.693 -3.035 1.00 0.00 C ATOM 1509 C LYS A 103 -6.594 16.847 -2.607 1.00 0.00 C ATOM 1510 O LYS A 103 -5.513 17.042 -3.164 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.676 14.648 -3.797 1.00 0.00 C ATOM 1512 CG LYS A 103 -6.233 15.110 -5.175 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.777 14.205 -6.268 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.109 12.839 -6.245 1.00 0.00 C ATOM 1515 NZ LYS A 103 -4.730 12.887 -6.806 1.00 0.00 N ATOM 0 H LYS A 103 -8.432 17.077 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.915 15.234 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.795 14.389 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.269 13.739 -3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.573 16.132 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.144 15.125 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.853 14.087 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.619 14.672 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.072 12.470 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.709 12.131 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.340 11.924 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.758 13.295 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.128 13.476 -6.196 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.045 17.607 -1.616 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.278 18.740 -1.112 1.00 0.00 C ATOM 1531 C ILE A 104 -4.849 18.330 -0.774 1.00 0.00 C ATOM 1532 O ILE A 104 -3.936 19.155 -0.783 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.934 19.353 0.139 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.362 19.805 -0.176 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.105 20.519 0.654 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.432 20.910 -1.206 1.00 0.00 C ATOM 0 H ILE A 104 -7.938 17.459 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.261 19.487 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.978 18.592 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.935 18.949 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.838 20.146 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.582 20.942 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.106 20.169 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.033 21.284 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.474 21.180 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.887 21.781 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.986 20.566 -2.139 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.662 17.047 -0.478 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.343 16.526 -0.139 1.00 0.00 C ATOM 1550 C HIS A 105 -2.327 16.871 -1.223 1.00 0.00 C ATOM 1551 O HIS A 105 -1.128 16.958 -0.959 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.405 15.010 0.055 1.00 0.00 C ATOM 1553 CG HIS A 105 -3.531 14.594 1.489 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.732 15.101 2.492 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -4.370 13.716 2.085 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -3.074 14.551 3.643 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -4.065 13.706 3.424 1.00 0.00 N ATOM 0 H HIS A 105 -5.407 16.350 -0.466 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.024 16.992 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.252 14.615 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.506 14.561 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.137 13.132 1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.620 14.757 4.601 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -4.528 13.138 4.134 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.815 17.064 -2.444 1.00 0.00 N ATOM 1566 CA CYS A 106 -1.949 17.398 -3.569 1.00 0.00 C ATOM 1567 C CYS A 106 -1.218 18.713 -3.321 1.00 0.00 C ATOM 1568 O CYS A 106 -0.200 18.998 -3.953 1.00 0.00 O ATOM 1569 CB CYS A 106 -2.767 17.490 -4.858 1.00 0.00 C ATOM 1570 SG CYS A 106 -2.620 16.042 -5.931 1.00 0.00 S ATOM 0 H CYS A 106 -3.805 16.995 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.208 16.606 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -3.816 17.633 -4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.452 18.374 -5.413 1.00 0.00 H new ATOM 0 HG CYS A 106 -3.715 15.897 -6.616 1.00 0.00 H new ATOM 1576 N SER A 107 -1.744 19.512 -2.399 1.00 0.00 N ATOM 1577 CA SER A 107 -1.145 20.800 -2.071 1.00 0.00 C ATOM 1578 C SER A 107 -0.049 20.638 -1.022 1.00 0.00 C ATOM 1579 O SER A 107 0.952 21.356 -1.039 1.00 0.00 O ATOM 1580 CB SER A 107 -2.214 21.770 -1.563 1.00 0.00 C ATOM 1581 OG SER A 107 -1.771 22.456 -0.405 1.00 0.00 O ATOM 0 H SER A 107 -2.584 19.290 -1.865 1.00 0.00 H new ATOM 0 HA SER A 107 -0.698 21.206 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.458 22.489 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.129 21.222 -1.337 1.00 0.00 H new ATOM 0 HG SER A 107 -2.378 22.265 0.341 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.246 19.691 -0.111 1.00 0.00 N ATOM 1588 CA ILE A 108 0.725 19.434 0.945 1.00 0.00 C ATOM 1589 C ILE A 108 1.976 18.763 0.389 1.00 0.00 C ATOM 1590 O ILE A 108 3.067 18.901 0.944 1.00 0.00 O ATOM 1591 CB ILE A 108 0.129 18.546 2.053 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.923 19.322 2.848 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.229 18.040 2.975 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.258 19.423 2.144 1.00 0.00 C ATOM 0 H ILE A 108 -1.069 19.089 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 108 0.993 20.401 1.371 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.354 17.686 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.066 18.838 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.549 20.326 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.792 17.414 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.946 17.456 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.737 18.888 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.955 19.986 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.128 19.934 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.654 18.423 1.969 1.00 0.00 H new ATOM 1606 N LEU A 109 1.812 18.036 -0.711 1.00 0.00 N ATOM 1607 CA LEU A 109 2.929 17.344 -1.344 1.00 0.00 C ATOM 1608 C LEU A 109 3.841 18.330 -2.068 1.00 0.00 C ATOM 1609 O LEU A 109 5.024 18.059 -2.275 1.00 0.00 O ATOM 1610 CB LEU A 109 2.412 16.293 -2.328 1.00 0.00 C ATOM 1611 CG LEU A 109 1.630 15.129 -1.718 1.00 0.00 C ATOM 1612 CD1 LEU A 109 1.307 14.089 -2.779 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.414 14.502 -0.575 1.00 0.00 C ATOM 0 H LEU A 109 0.916 17.911 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 109 3.507 16.849 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.773 16.791 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.263 15.886 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 109 0.692 15.515 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.750 13.268 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.705 14.546 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.233 13.706 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.843 13.675 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.368 14.130 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.594 15.251 0.197 1.00 0.00 H new ATOM 1625 N ALA A 110 3.283 19.475 -2.447 1.00 0.00 N ATOM 1626 CA ALA A 110 4.047 20.503 -3.143 1.00 0.00 C ATOM 1627 C ALA A 110 5.076 21.143 -2.218 1.00 0.00 C ATOM 1628 O ALA A 110 6.210 21.401 -2.620 1.00 0.00 O ATOM 1629 CB ALA A 110 3.113 21.561 -3.710 1.00 0.00 C ATOM 0 H ALA A 110 2.305 19.714 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 110 4.583 20.029 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.697 22.322 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.420 21.096 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.552 22.023 -2.898 1.00 0.00 H new ATOM 1635 N GLU A 111 4.672 21.399 -0.978 1.00 0.00 N ATOM 1636 CA GLU A 111 5.560 22.011 0.004 1.00 0.00 C ATOM 1637 C GLU A 111 6.468 20.965 0.644 1.00 0.00 C ATOM 1638 O GLU A 111 7.535 21.289 1.164 1.00 0.00 O ATOM 1639 CB GLU A 111 4.746 22.726 1.085 1.00 0.00 C ATOM 1640 CG GLU A 111 3.808 21.807 1.848 1.00 0.00 C ATOM 1641 CD GLU A 111 3.792 22.095 3.337 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.210 23.204 3.730 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.362 21.212 4.108 1.00 0.00 O ATOM 0 H GLU A 111 3.736 21.192 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 111 6.184 22.740 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.430 23.199 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.164 23.523 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.799 21.913 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.108 20.772 1.685 1.00 0.00 H new ATOM 1650 N ASP A 112 6.035 19.710 0.601 1.00 0.00 N ATOM 1651 CA ASP A 112 6.808 18.615 1.176 1.00 0.00 C ATOM 1652 C ASP A 112 7.949 18.209 0.247 1.00 0.00 C ATOM 1653 O ASP A 112 8.951 17.646 0.688 1.00 0.00 O ATOM 1654 CB ASP A 112 5.904 17.412 1.449 1.00 0.00 C ATOM 1655 CG ASP A 112 5.026 17.613 2.668 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.111 18.693 3.289 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.254 16.689 3.003 1.00 0.00 O ATOM 0 H ASP A 112 5.153 19.426 0.174 1.00 0.00 H new ATOM 0 HA ASP A 112 7.235 18.960 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.275 17.229 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.519 16.523 1.590 1.00 0.00 H new ATOM 1662 N ALA A 113 7.789 18.498 -1.040 1.00 0.00 N ATOM 1663 CA ALA A 113 8.805 18.164 -2.030 1.00 0.00 C ATOM 1664 C ALA A 113 9.919 19.205 -2.046 1.00 0.00 C ATOM 1665 O ALA A 113 11.097 18.869 -1.922 1.00 0.00 O ATOM 1666 CB ALA A 113 8.176 18.039 -3.410 1.00 0.00 C ATOM 0 H ALA A 113 6.965 18.963 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 113 9.244 17.205 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.946 17.789 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.421 17.253 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.710 18.985 -3.684 1.00 0.00 H new ATOM 1672 N ILE A 114 9.539 20.469 -2.199 1.00 0.00 N ATOM 1673 CA ILE A 114 10.507 21.558 -2.231 1.00 0.00 C ATOM 1674 C ILE A 114 11.444 21.496 -1.030 1.00 0.00 C ATOM 1675 O ILE A 114 12.643 21.749 -1.149 1.00 0.00 O ATOM 1676 CB ILE A 114 9.808 22.931 -2.253 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.861 23.065 -1.059 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.052 23.120 -3.560 1.00 0.00 C ATOM 1679 CD1 ILE A 114 9.450 23.846 0.095 1.00 0.00 C ATOM 0 H ILE A 114 8.568 20.764 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 114 11.086 21.439 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 114 10.567 23.710 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.943 23.553 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.586 22.070 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.564 24.094 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.750 23.064 -4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.300 22.337 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.723 23.901 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.352 23.347 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.699 24.854 -0.237 1.00 0.00 H new ATOM 1691 N LYS A 115 10.889 21.157 0.129 1.00 0.00 N ATOM 1692 CA LYS A 115 11.674 21.058 1.354 1.00 0.00 C ATOM 1693 C LYS A 115 12.636 19.875 1.289 1.00 0.00 C ATOM 1694 O LYS A 115 13.791 19.979 1.702 1.00 0.00 O ATOM 1695 CB LYS A 115 10.751 20.912 2.566 1.00 0.00 C ATOM 1696 CG LYS A 115 11.223 21.686 3.785 1.00 0.00 C ATOM 1697 CD LYS A 115 12.643 21.307 4.171 1.00 0.00 C ATOM 1698 CE LYS A 115 12.751 19.832 4.524 1.00 0.00 C ATOM 1699 NZ LYS A 115 11.949 19.492 5.732 1.00 0.00 N ATOM 0 H LYS A 115 9.898 20.946 0.246 1.00 0.00 H new ATOM 0 HA LYS A 115 12.257 21.973 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.752 21.252 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.669 19.856 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.174 22.755 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.553 21.491 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.318 21.535 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.963 21.910 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.411 19.231 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.796 19.575 4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.191 18.532 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.159 20.172 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.936 19.535 5.500 1.00 0.00 H new ATOM 1713 N ALA A 116 12.152 18.753 0.768 1.00 0.00 N ATOM 1714 CA ALA A 116 12.970 17.552 0.646 1.00 0.00 C ATOM 1715 C ALA A 116 14.250 17.836 -0.133 1.00 0.00 C ATOM 1716 O ALA A 116 15.274 17.188 0.080 1.00 0.00 O ATOM 1717 CB ALA A 116 12.178 16.439 -0.024 1.00 0.00 C ATOM 0 H ALA A 116 11.198 18.650 0.423 1.00 0.00 H new ATOM 0 HA ALA A 116 13.250 17.230 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.801 15.549 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.296 16.209 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.868 16.761 -1.018 1.00 0.00 H new ATOM 1723 N ALA A 117 14.183 18.809 -1.036 1.00 0.00 N ATOM 1724 CA ALA A 117 15.337 19.179 -1.846 1.00 0.00 C ATOM 1725 C ALA A 117 16.335 20.001 -1.037 1.00 0.00 C ATOM 1726 O ALA A 117 17.547 19.836 -1.177 1.00 0.00 O ATOM 1727 CB ALA A 117 14.891 19.952 -3.079 1.00 0.00 C ATOM 0 H ALA A 117 13.342 19.355 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 117 15.834 18.263 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.763 20.222 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.222 19.331 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.368 20.857 -2.771 1.00 0.00 H new ATOM 1733 N ILE A 118 15.817 20.886 -0.192 1.00 0.00 N ATOM 1734 CA ILE A 118 16.664 21.732 0.640 1.00 0.00 C ATOM 1735 C ILE A 118 17.549 20.894 1.556 1.00 0.00 C ATOM 1736 O ILE A 118 18.676 21.278 1.867 1.00 0.00 O ATOM 1737 CB ILE A 118 15.825 22.697 1.498 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.987 23.613 0.604 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.727 23.518 2.408 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.058 24.525 1.374 1.00 0.00 C ATOM 0 H ILE A 118 14.816 21.036 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 118 17.292 22.312 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 118 15.149 22.111 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.655 24.220 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.398 23.001 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.119 24.195 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.284 22.851 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.425 24.097 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.496 25.145 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.366 23.925 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.642 25.163 2.037 1.00 0.00 H new ATOM 1752 N ALA A 119 17.031 19.747 1.983 1.00 0.00 N ATOM 1753 CA ALA A 119 17.776 18.853 2.860 1.00 0.00 C ATOM 1754 C ALA A 119 18.932 18.192 2.117 1.00 0.00 C ATOM 1755 O ALA A 119 20.072 18.208 2.582 1.00 0.00 O ATOM 1756 CB ALA A 119 16.851 17.797 3.446 1.00 0.00 C ATOM 0 H ALA A 119 16.099 19.415 1.736 1.00 0.00 H new ATOM 0 HA ALA A 119 18.193 19.447 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.421 17.136 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 119 16.062 18.283 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.406 17.215 2.639 1.00 0.00 H new ATOM 1762 N ASP A 120 18.631 17.611 0.961 1.00 0.00 N ATOM 1763 CA ASP A 120 19.646 16.945 0.152 1.00 0.00 C ATOM 1764 C ASP A 120 20.841 17.863 -0.084 1.00 0.00 C ATOM 1765 O ASP A 120 21.973 17.400 -0.226 1.00 0.00 O ATOM 1766 CB ASP A 120 19.053 16.504 -1.187 1.00 0.00 C ATOM 1767 CG ASP A 120 20.058 15.766 -2.049 1.00 0.00 C ATOM 1768 OD1 ASP A 120 20.591 14.734 -1.589 1.00 0.00 O ATOM 1769 OD2 ASP A 120 20.310 16.218 -3.185 1.00 0.00 O ATOM 0 H ASP A 120 17.692 17.588 0.563 1.00 0.00 H new ATOM 0 HA ASP A 120 19.989 16.065 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 120 18.192 15.861 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.689 17.379 -1.726 1.00 0.00 H new ATOM 1774 N TYR A 121 20.582 19.165 -0.125 1.00 0.00 N ATOM 1775 CA TYR A 121 21.635 20.148 -0.348 1.00 0.00 C ATOM 1776 C TYR A 121 22.532 20.273 0.880 1.00 0.00 C ATOM 1777 O TYR A 121 23.747 20.094 0.798 1.00 0.00 O ATOM 1778 CB TYR A 121 21.028 21.509 -0.691 1.00 0.00 C ATOM 1779 CG TYR A 121 22.042 22.630 -0.739 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.215 22.500 -1.472 1.00 0.00 C ATOM 1781 CD2 TYR A 121 21.827 23.818 -0.051 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.145 23.521 -1.519 1.00 0.00 C ATOM 1783 CE2 TYR A 121 22.751 24.844 -0.094 1.00 0.00 C ATOM 1784 CZ TYR A 121 23.908 24.691 -0.829 1.00 0.00 C ATOM 1785 OH TYR A 121 24.831 25.711 -0.872 1.00 0.00 O ATOM 0 H TYR A 121 19.651 19.564 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 121 22.243 19.808 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.528 21.441 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.264 21.753 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.403 21.585 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 121 20.923 23.941 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.052 23.403 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 121 22.568 25.762 0.445 1.00 0.00 H new ATOM 0 HH TYR A 121 24.511 26.465 -0.333 1.00 0.00 H new ATOM 1795 N LYS A 122 21.923 20.582 2.020 1.00 0.00 N ATOM 1796 CA LYS A 122 22.663 20.729 3.268 1.00 0.00 C ATOM 1797 C LYS A 122 23.339 19.419 3.658 1.00 0.00 C ATOM 1798 O LYS A 122 24.357 19.417 4.350 1.00 0.00 O ATOM 1799 CB LYS A 122 21.727 21.186 4.389 1.00 0.00 C ATOM 1800 CG LYS A 122 20.806 22.325 3.986 1.00 0.00 C ATOM 1801 CD LYS A 122 20.656 23.342 5.105 1.00 0.00 C ATOM 1802 CE LYS A 122 19.724 22.836 6.196 1.00 0.00 C ATOM 1803 NZ LYS A 122 20.457 22.546 7.460 1.00 0.00 N ATOM 0 H LYS A 122 20.918 20.736 2.105 1.00 0.00 H new ATOM 0 HA LYS A 122 23.435 21.484 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.123 20.339 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.325 21.499 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.201 22.816 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.827 21.926 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.634 23.561 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.269 24.277 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.951 23.580 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.220 21.933 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.788 22.204 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.178 21.818 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.917 23.414 7.801 1.00 0.00 H new ATOM 1817 N SER A 123 22.768 18.307 3.208 1.00 0.00 N ATOM 1818 CA SER A 123 23.315 16.989 3.512 1.00 0.00 C ATOM 1819 C SER A 123 24.484 16.660 2.589 1.00 0.00 C ATOM 1820 O SER A 123 25.317 15.809 2.901 1.00 0.00 O ATOM 1821 CB SER A 123 22.229 15.920 3.379 1.00 0.00 C ATOM 1822 OG SER A 123 21.355 15.939 4.494 1.00 0.00 O ATOM 0 H SER A 123 21.927 18.292 2.632 1.00 0.00 H new ATOM 0 HA SER A 123 23.678 17.002 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.660 16.087 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.691 14.937 3.292 1.00 0.00 H new ATOM 0 HG SER A 123 20.669 15.248 4.384 1.00 0.00 H new ATOM 1828 N LYS A 124 24.540 17.342 1.450 1.00 0.00 N ATOM 1829 CA LYS A 124 25.607 17.125 0.480 1.00 0.00 C ATOM 1830 C LYS A 124 26.840 17.950 0.834 1.00 0.00 C ATOM 1831 O LYS A 124 27.954 17.629 0.419 1.00 0.00 O ATOM 1832 CB LYS A 124 25.126 17.485 -0.928 1.00 0.00 C ATOM 1833 CG LYS A 124 25.017 16.289 -1.858 1.00 0.00 C ATOM 1834 CD LYS A 124 23.699 15.556 -1.671 1.00 0.00 C ATOM 1835 CE LYS A 124 23.765 14.142 -2.227 1.00 0.00 C ATOM 1836 NZ LYS A 124 24.199 14.126 -3.652 1.00 0.00 N ATOM 0 H LYS A 124 23.859 18.050 1.176 1.00 0.00 H new ATOM 0 HA LYS A 124 25.878 16.070 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.152 17.970 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 124 25.813 18.211 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.106 16.622 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 124 25.845 15.605 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.449 15.520 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.901 16.107 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.458 13.549 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 124 22.786 13.672 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 24.023 13.185 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 23.663 14.840 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.215 14.342 -3.708 1.00 0.00 H new ATOM 1850 N ARG A 125 26.634 19.014 1.603 1.00 0.00 N ATOM 1851 CA ARG A 125 27.729 19.885 2.013 1.00 0.00 C ATOM 1852 C ARG A 125 28.043 19.703 3.495 1.00 0.00 C ATOM 1853 O ARG A 125 29.073 20.167 3.982 1.00 0.00 O ATOM 1854 CB ARG A 125 27.379 21.347 1.730 1.00 0.00 C ATOM 1855 CG ARG A 125 26.233 21.874 2.579 1.00 0.00 C ATOM 1856 CD ARG A 125 26.743 22.591 3.819 1.00 0.00 C ATOM 1857 NE ARG A 125 25.722 23.450 4.413 1.00 0.00 N ATOM 1858 CZ ARG A 125 25.885 24.101 5.560 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.023 23.991 6.232 1.00 0.00 N ATOM 1860 NH2 ARG A 125 24.910 24.864 6.035 1.00 0.00 N ATOM 0 H ARG A 125 25.718 19.294 1.955 1.00 0.00 H new ATOM 0 HA ARG A 125 28.613 19.612 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.261 21.963 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.118 21.452 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.624 22.557 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.588 21.047 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.071 21.856 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.615 23.191 3.558 1.00 0.00 H new ATOM 0 HE ARG A 125 24.835 23.556 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.775 23.406 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 125 27.146 24.492 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.034 24.952 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.036 25.363 6.915 1.00 0.00 H new