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 29 SER OG : rot -88:sc= 0.965 USER MOD Set 1.2: A 44 GLN : amide:sc= 0.135 K(o=1.1,f=-4!) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.185 F(o=-1.6,f=-0.19) USER MOD Single : A 31 MET CE :methyl 140:sc= -0.609 (180deg=-3.69!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 169:sc= -0.0315 (180deg=-0.37) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.89 K(o=-2.9,f=-9.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.119 USER MOD Single : A 70 SER OG : rot -152:sc= 1.3 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -90:sc= 0.0871 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0922) USER MOD Single : A 81 SER OG : rot -104:sc= 0.842 USER MOD Single : A 86 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.0665 (180deg=-0.422) USER MOD Single : A 90 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0555) USER MOD Single : A 105 HIS : no HD1:sc= -0.068 X(o=-0.068,f=-0.22) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 93:sc= -0.127 USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= -0.154 (180deg=-0.677) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.416) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 143:sc= 0.266 (180deg=0.00732) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 26.057 20.163 -4.604 1.00 0.00 N ATOM 385 CA ASN A 26 25.273 21.303 -4.144 1.00 0.00 C ATOM 386 C ASN A 26 23.882 21.296 -4.772 1.00 0.00 C ATOM 387 O ASN A 26 23.236 22.337 -4.888 1.00 0.00 O ATOM 388 CB ASN A 26 25.991 22.612 -4.483 1.00 0.00 C ATOM 389 CG ASN A 26 26.797 22.514 -5.764 1.00 0.00 C ATOM 390 OD1 ASN A 26 26.146 22.095 -6.842 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.992 22.812 -5.782 1.00 0.00 N flip ATOM 0 HA ASN A 26 25.164 21.225 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.257 23.412 -4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.653 22.884 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 26 28.451 23.130 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 26 28.522 22.741 -6.650 1.00 0.00 H new ATOM 398 N VAL A 27 23.427 20.114 -5.175 1.00 0.00 N ATOM 399 CA VAL A 27 22.113 19.969 -5.789 1.00 0.00 C ATOM 400 C VAL A 27 21.071 19.537 -4.762 1.00 0.00 C ATOM 401 O VAL A 27 21.362 18.753 -3.860 1.00 0.00 O ATOM 402 CB VAL A 27 22.140 18.946 -6.939 1.00 0.00 C ATOM 403 CG1 VAL A 27 22.670 17.606 -6.450 1.00 0.00 C ATOM 404 CG2 VAL A 27 20.754 18.790 -7.546 1.00 0.00 C ATOM 0 H VAL A 27 23.950 19.242 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 27 21.841 20.946 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 27 22.812 19.315 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.682 16.896 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.682 17.733 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 27 22.026 17.228 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.792 18.063 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.059 18.444 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.417 19.751 -7.935 1.00 0.00 H new ATOM 414 N GLY A 28 19.855 20.054 -4.907 1.00 0.00 N ATOM 415 CA GLY A 28 18.788 19.710 -3.986 1.00 0.00 C ATOM 416 C GLY A 28 17.703 18.878 -4.641 1.00 0.00 C ATOM 417 O GLY A 28 16.981 19.362 -5.512 1.00 0.00 O ATOM 0 H GLY A 28 19.590 20.705 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.204 19.160 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.349 20.624 -3.586 1.00 0.00 H new ATOM 421 N SER A 29 17.588 17.622 -4.222 1.00 0.00 N ATOM 422 CA SER A 29 16.587 16.719 -4.777 1.00 0.00 C ATOM 423 C SER A 29 15.586 16.293 -3.707 1.00 0.00 C ATOM 424 O SER A 29 15.960 16.005 -2.571 1.00 0.00 O ATOM 425 CB SER A 29 17.261 15.486 -5.381 1.00 0.00 C ATOM 426 OG SER A 29 18.442 15.840 -6.079 1.00 0.00 O ATOM 0 H SER A 29 18.176 17.206 -3.500 1.00 0.00 H new ATOM 0 HA SER A 29 16.049 17.251 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.502 14.775 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.570 14.986 -6.060 1.00 0.00 H new ATOM 0 HG SER A 29 18.220 16.056 -7.009 1.00 0.00 H new ATOM 432 N GLY A 30 14.310 16.256 -4.080 1.00 0.00 N ATOM 433 CA GLY A 30 13.275 15.865 -3.142 1.00 0.00 C ATOM 434 C GLY A 30 12.182 15.042 -3.795 1.00 0.00 C ATOM 435 O GLY A 30 11.586 15.463 -4.785 1.00 0.00 O ATOM 0 H GLY A 30 13.975 16.490 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.722 15.291 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.836 16.758 -2.697 1.00 0.00 H new ATOM 439 N MET A 31 11.921 13.863 -3.240 1.00 0.00 N ATOM 440 CA MET A 31 10.893 12.978 -3.775 1.00 0.00 C ATOM 441 C MET A 31 9.756 12.796 -2.774 1.00 0.00 C ATOM 442 O MET A 31 9.962 12.291 -1.671 1.00 0.00 O ATOM 443 CB MET A 31 11.496 11.618 -4.132 1.00 0.00 C ATOM 444 CG MET A 31 10.486 10.637 -4.705 1.00 0.00 C ATOM 445 SD MET A 31 10.339 9.135 -3.718 1.00 0.00 S ATOM 446 CE MET A 31 9.014 9.591 -2.603 1.00 0.00 C ATOM 0 H MET A 31 12.407 13.499 -2.421 1.00 0.00 H new ATOM 0 HA MET A 31 10.489 13.437 -4.677 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.299 11.764 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.946 11.184 -3.239 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.512 11.121 -4.770 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.779 10.372 -5.721 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.349 8.739 -2.461 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.433 9.889 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.452 10.423 -3.027 1.00 0.00 H new ATOM 456 N VAL A 32 8.556 13.212 -3.167 1.00 0.00 N ATOM 457 CA VAL A 32 7.386 13.095 -2.304 1.00 0.00 C ATOM 458 C VAL A 32 6.108 12.966 -3.125 1.00 0.00 C ATOM 459 O VAL A 32 6.124 13.122 -4.346 1.00 0.00 O ATOM 460 CB VAL A 32 7.259 14.308 -1.363 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.502 14.446 -0.498 1.00 0.00 C ATOM 462 CG2 VAL A 32 7.012 15.578 -2.163 1.00 0.00 C ATOM 0 H VAL A 32 8.369 13.633 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 32 7.523 12.194 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 32 6.405 14.148 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.394 15.308 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.629 13.545 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.375 14.584 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.925 16.425 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.845 15.745 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.089 15.475 -2.734 1.00 0.00 H new ATOM 472 N GLY A 33 5.001 12.680 -2.447 1.00 0.00 N ATOM 473 CA GLY A 33 3.729 12.536 -3.129 1.00 0.00 C ATOM 474 C GLY A 33 2.688 11.841 -2.274 1.00 0.00 C ATOM 475 O GLY A 33 2.842 11.738 -1.058 1.00 0.00 O ATOM 0 H GLY A 33 4.963 12.545 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.360 13.521 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.876 11.970 -4.049 1.00 0.00 H new ATOM 479 N ALA A 34 1.623 11.364 -2.912 1.00 0.00 N ATOM 480 CA ALA A 34 0.553 10.675 -2.201 1.00 0.00 C ATOM 481 C ALA A 34 0.567 9.181 -2.503 1.00 0.00 C ATOM 482 O ALA A 34 -0.082 8.705 -3.435 1.00 0.00 O ATOM 483 CB ALA A 34 -0.796 11.277 -2.568 1.00 0.00 C ATOM 0 H ALA A 34 1.479 11.442 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 34 0.718 10.804 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.586 10.753 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.810 12.332 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.959 11.177 -3.641 1.00 0.00 H new ATOM 489 N PRO A 35 1.324 8.421 -1.698 1.00 0.00 N ATOM 490 CA PRO A 35 1.441 6.968 -1.860 1.00 0.00 C ATOM 491 C PRO A 35 0.151 6.240 -1.497 1.00 0.00 C ATOM 492 O PRO A 35 -0.105 5.136 -1.978 1.00 0.00 O ATOM 493 CB PRO A 35 2.560 6.592 -0.885 1.00 0.00 C ATOM 494 CG PRO A 35 2.539 7.665 0.148 1.00 0.00 C ATOM 495 CD PRO A 35 2.124 8.921 -0.567 1.00 0.00 C ATOM 0 HA PRO A 35 1.645 6.687 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.386 5.612 -0.441 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.525 6.547 -1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.840 7.422 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.520 7.784 0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.541 9.577 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.987 9.494 -0.907 1.00 0.00 H new ATOM 503 N ALA A 36 -0.658 6.864 -0.647 1.00 0.00 N ATOM 504 CA ALA A 36 -1.922 6.275 -0.223 1.00 0.00 C ATOM 505 C ALA A 36 -3.030 6.573 -1.227 1.00 0.00 C ATOM 506 O ALA A 36 -4.128 6.023 -1.135 1.00 0.00 O ATOM 507 CB ALA A 36 -2.306 6.788 1.157 1.00 0.00 C ATOM 0 H ALA A 36 -0.460 7.777 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.793 5.194 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.252 6.340 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.530 6.520 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.411 7.872 1.126 1.00 0.00 H new ATOM 513 N CYS A 37 -2.736 7.445 -2.185 1.00 0.00 N ATOM 514 CA CYS A 37 -3.709 7.816 -3.206 1.00 0.00 C ATOM 515 C CYS A 37 -3.221 7.414 -4.594 1.00 0.00 C ATOM 516 O CYS A 37 -4.005 7.326 -5.538 1.00 0.00 O ATOM 517 CB CYS A 37 -3.975 9.322 -3.163 1.00 0.00 C ATOM 518 SG CYS A 37 -5.711 9.771 -3.398 1.00 0.00 S ATOM 0 H CYS A 37 -1.832 7.908 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.637 7.284 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.636 9.713 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.377 9.808 -3.934 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.836 11.064 -3.344 1.00 0.00 H new ATOM 524 N GLY A 38 -1.919 7.171 -4.711 1.00 0.00 N ATOM 525 CA GLY A 38 -1.348 6.782 -5.987 1.00 0.00 C ATOM 526 C GLY A 38 -0.798 7.964 -6.760 1.00 0.00 C ATOM 527 O GLY A 38 -1.203 8.216 -7.894 1.00 0.00 O ATOM 0 H GLY A 38 -1.249 7.237 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.550 6.059 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.110 6.283 -6.586 1.00 0.00 H new ATOM 531 N ALA A 39 0.128 8.692 -6.144 1.00 0.00 N ATOM 532 CA ALA A 39 0.735 9.854 -6.782 1.00 0.00 C ATOM 533 C ALA A 39 2.196 10.005 -6.371 1.00 0.00 C ATOM 534 O ALA A 39 2.576 9.656 -5.253 1.00 0.00 O ATOM 535 CB ALA A 39 -0.045 11.114 -6.436 1.00 0.00 C ATOM 0 H ALA A 39 0.474 8.498 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 39 0.701 9.704 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.419 11.974 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.073 11.013 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.041 11.259 -5.356 1.00 0.00 H new ATOM 541 N VAL A 40 3.011 10.526 -7.282 1.00 0.00 N ATOM 542 CA VAL A 40 4.431 10.723 -7.014 1.00 0.00 C ATOM 543 C VAL A 40 4.961 11.954 -7.741 1.00 0.00 C ATOM 544 O VAL A 40 4.804 12.087 -8.954 1.00 0.00 O ATOM 545 CB VAL A 40 5.258 9.495 -7.437 1.00 0.00 C ATOM 546 CG1 VAL A 40 6.723 9.687 -7.077 1.00 0.00 C ATOM 547 CG2 VAL A 40 4.703 8.232 -6.794 1.00 0.00 C ATOM 0 H VAL A 40 2.713 10.819 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 40 4.533 10.867 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 40 5.187 9.386 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.291 8.809 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.111 10.567 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.818 9.823 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.299 7.374 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.742 8.329 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.669 8.088 -7.108 1.00 0.00 H new ATOM 557 N MET A 41 5.591 12.852 -6.990 1.00 0.00 N ATOM 558 CA MET A 41 6.147 14.072 -7.563 1.00 0.00 C ATOM 559 C MET A 41 7.595 14.269 -7.124 1.00 0.00 C ATOM 560 O MET A 41 7.952 13.979 -5.982 1.00 0.00 O ATOM 561 CB MET A 41 5.308 15.283 -7.152 1.00 0.00 C ATOM 562 CG MET A 41 5.375 15.592 -5.665 1.00 0.00 C ATOM 563 SD MET A 41 4.706 17.217 -5.262 1.00 0.00 S ATOM 564 CE MET A 41 3.043 17.068 -5.911 1.00 0.00 C ATOM 0 H MET A 41 5.729 12.757 -5.984 1.00 0.00 H new ATOM 0 HA MET A 41 6.125 13.976 -8.649 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.645 16.155 -7.712 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.269 15.107 -7.432 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.824 14.830 -5.114 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.412 15.538 -5.333 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.442 17.911 -5.570 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.077 17.064 -7.000 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.597 16.138 -5.558 1.00 0.00 H new ATOM 574 N LYS A 42 8.424 14.763 -8.037 1.00 0.00 N ATOM 575 CA LYS A 42 9.832 14.999 -7.744 1.00 0.00 C ATOM 576 C LYS A 42 10.248 16.404 -8.170 1.00 0.00 C ATOM 577 O LYS A 42 9.897 16.863 -9.258 1.00 0.00 O ATOM 578 CB LYS A 42 10.703 13.961 -8.454 1.00 0.00 C ATOM 579 CG LYS A 42 10.516 12.548 -7.928 1.00 0.00 C ATOM 580 CD LYS A 42 10.702 11.515 -9.027 1.00 0.00 C ATOM 581 CE LYS A 42 12.175 11.246 -9.296 1.00 0.00 C ATOM 582 NZ LYS A 42 12.366 10.183 -10.320 1.00 0.00 N ATOM 0 H LYS A 42 8.144 15.008 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 42 9.974 14.907 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.476 13.976 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.750 14.244 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.230 12.360 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.519 12.448 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.208 10.586 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.222 11.864 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.657 12.164 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.665 10.949 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.383 10.029 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.929 9.299 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.920 10.477 -11.213 1.00 0.00 H new ATOM 596 N LEU A 43 10.997 17.081 -7.308 1.00 0.00 N ATOM 597 CA LEU A 43 11.463 18.434 -7.596 1.00 0.00 C ATOM 598 C LEU A 43 12.961 18.560 -7.338 1.00 0.00 C ATOM 599 O LEU A 43 13.489 17.977 -6.392 1.00 0.00 O ATOM 600 CB LEU A 43 10.699 19.449 -6.744 1.00 0.00 C ATOM 601 CG LEU A 43 10.317 20.756 -7.439 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.860 20.725 -7.871 1.00 0.00 C ATOM 603 CD2 LEU A 43 10.578 21.943 -6.523 1.00 0.00 C ATOM 0 H LEU A 43 11.295 16.716 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 43 11.276 18.640 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.788 18.975 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.305 19.689 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 43 10.936 20.866 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.607 21.664 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.703 19.898 -8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.224 20.591 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.300 22.865 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.985 21.839 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.636 21.977 -6.263 1.00 0.00 H new ATOM 615 N GLN A 44 13.639 19.328 -8.185 1.00 0.00 N ATOM 616 CA GLN A 44 15.076 19.532 -8.048 1.00 0.00 C ATOM 617 C GLN A 44 15.407 21.017 -7.939 1.00 0.00 C ATOM 618 O GLN A 44 14.620 21.870 -8.352 1.00 0.00 O ATOM 619 CB GLN A 44 15.816 18.919 -9.238 1.00 0.00 C ATOM 620 CG GLN A 44 15.345 17.517 -9.590 1.00 0.00 C ATOM 621 CD GLN A 44 15.663 16.505 -8.507 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.829 16.233 -8.218 1.00 0.00 O ATOM 623 NE2 GLN A 44 14.625 15.941 -7.900 1.00 0.00 N ATOM 0 H GLN A 44 13.216 19.819 -8.973 1.00 0.00 H new ATOM 0 HA GLN A 44 15.402 19.037 -7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.688 19.565 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.883 18.890 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.269 17.532 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.813 17.204 -10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.675 16.196 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.778 15.253 -7.163 1.00 0.00 H new ATOM 632 N ILE A 45 16.574 21.319 -7.381 1.00 0.00 N ATOM 633 CA ILE A 45 17.008 22.701 -7.219 1.00 0.00 C ATOM 634 C ILE A 45 18.530 22.802 -7.218 1.00 0.00 C ATOM 635 O ILE A 45 19.231 21.794 -7.129 1.00 0.00 O ATOM 636 CB ILE A 45 16.463 23.314 -5.916 1.00 0.00 C ATOM 637 CG1 ILE A 45 16.776 22.402 -4.728 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.964 23.549 -6.029 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.359 22.982 -3.395 1.00 0.00 C ATOM 0 H ILE A 45 17.236 20.625 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 45 16.609 23.258 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 45 16.951 24.275 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.273 21.446 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 45 17.847 22.199 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.593 23.983 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.764 24.233 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.460 22.600 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.611 22.282 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.881 23.924 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.283 23.159 -3.396 1.00 0.00 H new ATOM 651 N LYS A 46 19.036 24.027 -7.314 1.00 0.00 N ATOM 652 CA LYS A 46 20.475 24.263 -7.320 1.00 0.00 C ATOM 653 C LYS A 46 20.833 25.467 -6.455 1.00 0.00 C ATOM 654 O LYS A 46 20.393 26.586 -6.718 1.00 0.00 O ATOM 655 CB LYS A 46 20.969 24.485 -8.751 1.00 0.00 C ATOM 656 CG LYS A 46 22.382 23.982 -8.992 1.00 0.00 C ATOM 657 CD LYS A 46 23.370 24.607 -8.022 1.00 0.00 C ATOM 658 CE LYS A 46 24.807 24.364 -8.456 1.00 0.00 C ATOM 659 NZ LYS A 46 25.305 25.442 -9.355 1.00 0.00 N ATOM 0 H LYS A 46 18.470 24.872 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 46 20.964 23.382 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.291 23.984 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.928 25.550 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.406 22.897 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.681 24.211 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.186 25.679 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.215 24.193 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.447 24.301 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.874 23.404 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 26.288 25.240 -9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.710 25.486 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.265 26.355 -8.858 1.00 0.00 H new ATOM 673 N VAL A 47 21.635 25.229 -5.422 1.00 0.00 N ATOM 674 CA VAL A 47 22.055 26.295 -4.519 1.00 0.00 C ATOM 675 C VAL A 47 23.449 26.798 -4.874 1.00 0.00 C ATOM 676 O VAL A 47 24.295 26.036 -5.339 1.00 0.00 O ATOM 677 CB VAL A 47 22.048 25.823 -3.053 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.196 27.007 -2.110 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.777 25.044 -2.750 1.00 0.00 C ATOM 0 H VAL A 47 22.007 24.308 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 47 21.339 27.109 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 47 22.899 25.159 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.189 26.654 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.137 27.518 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.368 27.699 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.789 24.718 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.910 25.682 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.720 24.173 -3.402 1.00 0.00 H new ATOM 689 N ASN A 48 23.682 28.087 -4.649 1.00 0.00 N ATOM 690 CA ASN A 48 24.975 28.694 -4.945 1.00 0.00 C ATOM 691 C ASN A 48 25.875 28.684 -3.713 1.00 0.00 C ATOM 692 O ASN A 48 25.568 28.035 -2.713 1.00 0.00 O ATOM 693 CB ASN A 48 24.787 30.129 -5.441 1.00 0.00 C ATOM 694 CG ASN A 48 23.534 30.291 -6.281 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.142 29.382 -7.013 1.00 0.00 O ATOM 696 ND2 ASN A 48 22.900 31.453 -6.179 1.00 0.00 N ATOM 0 H ASN A 48 22.992 28.732 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 48 25.454 28.106 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 24.737 30.803 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 48 25.656 30.424 -6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.052 31.620 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 48 23.261 32.178 -5.559 1.00 0.00 H new ATOM 703 N ASP A 49 26.986 29.407 -3.793 1.00 0.00 N ATOM 704 CA ASP A 49 27.930 29.484 -2.685 1.00 0.00 C ATOM 705 C ASP A 49 27.339 30.271 -1.520 1.00 0.00 C ATOM 706 O ASP A 49 27.486 29.886 -0.360 1.00 0.00 O ATOM 707 CB ASP A 49 29.237 30.133 -3.144 1.00 0.00 C ATOM 708 CG ASP A 49 30.151 29.155 -3.856 1.00 0.00 C ATOM 709 OD1 ASP A 49 29.645 28.360 -4.675 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.371 29.184 -3.593 1.00 0.00 O ATOM 0 H ASP A 49 27.255 29.949 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 49 28.137 28.469 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.011 30.966 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.756 30.548 -2.280 1.00 0.00 H new ATOM 715 N GLU A 50 26.669 31.375 -1.837 1.00 0.00 N ATOM 716 CA GLU A 50 26.057 32.216 -0.816 1.00 0.00 C ATOM 717 C GLU A 50 24.892 31.496 -0.144 1.00 0.00 C ATOM 718 O GLU A 50 24.524 31.809 0.988 1.00 0.00 O ATOM 719 CB GLU A 50 25.573 33.532 -1.430 1.00 0.00 C ATOM 720 CG GLU A 50 24.722 33.345 -2.674 1.00 0.00 C ATOM 721 CD GLU A 50 23.959 34.599 -3.053 1.00 0.00 C ATOM 722 OE1 GLU A 50 23.645 35.399 -2.148 1.00 0.00 O ATOM 723 OE2 GLU A 50 23.676 34.780 -4.256 1.00 0.00 O ATOM 0 H GLU A 50 26.537 31.707 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 50 26.812 32.432 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.997 34.081 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.438 34.146 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.361 33.048 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.016 32.531 -2.508 1.00 0.00 H new ATOM 730 N GLY A 51 24.314 30.530 -0.851 1.00 0.00 N ATOM 731 CA GLY A 51 23.196 29.781 -0.308 1.00 0.00 C ATOM 732 C GLY A 51 21.863 30.249 -0.858 1.00 0.00 C ATOM 733 O GLY A 51 20.869 30.302 -0.132 1.00 0.00 O ATOM 0 H GLY A 51 24.600 30.253 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.328 28.723 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.191 29.877 0.778 1.00 0.00 H new ATOM 737 N ILE A 52 21.841 30.592 -2.141 1.00 0.00 N ATOM 738 CA ILE A 52 20.620 31.059 -2.786 1.00 0.00 C ATOM 739 C ILE A 52 20.271 30.195 -3.993 1.00 0.00 C ATOM 740 O ILE A 52 21.138 29.856 -4.799 1.00 0.00 O ATOM 741 CB ILE A 52 20.749 32.525 -3.239 1.00 0.00 C ATOM 742 CG1 ILE A 52 21.206 33.404 -2.073 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.425 33.025 -3.799 1.00 0.00 C ATOM 744 CD1 ILE A 52 20.338 33.273 -0.841 1.00 0.00 C ATOM 0 H ILE A 52 22.655 30.555 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 52 19.823 30.984 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 52 21.499 32.581 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 22.232 33.145 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 52 21.212 34.446 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.532 34.063 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.137 32.413 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.656 32.958 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.721 33.924 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 52 19.315 33.561 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.352 32.240 -0.495 1.00 0.00 H new ATOM 756 N ILE A 53 18.995 29.842 -4.111 1.00 0.00 N ATOM 757 CA ILE A 53 18.530 29.020 -5.221 1.00 0.00 C ATOM 758 C ILE A 53 18.600 29.784 -6.539 1.00 0.00 C ATOM 759 O ILE A 53 17.944 30.812 -6.706 1.00 0.00 O ATOM 760 CB ILE A 53 17.085 28.536 -4.997 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.994 27.711 -3.712 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.608 27.722 -6.190 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.783 26.421 -3.764 1.00 0.00 C ATOM 0 H ILE A 53 18.265 30.113 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 53 19.191 28.155 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 53 16.438 29.407 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.353 28.313 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.948 27.480 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.585 27.387 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.640 28.339 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.256 26.856 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.672 25.888 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.410 25.799 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.836 26.645 -3.933 1.00 0.00 H new ATOM 775 N GLU A 54 19.397 29.274 -7.472 1.00 0.00 N ATOM 776 CA GLU A 54 19.551 29.909 -8.775 1.00 0.00 C ATOM 777 C GLU A 54 18.899 29.069 -9.870 1.00 0.00 C ATOM 778 O GLU A 54 18.556 29.579 -10.936 1.00 0.00 O ATOM 779 CB GLU A 54 21.033 30.119 -9.093 1.00 0.00 C ATOM 780 CG GLU A 54 21.739 28.859 -9.564 1.00 0.00 C ATOM 781 CD GLU A 54 21.637 28.659 -11.064 1.00 0.00 C ATOM 782 OE1 GLU A 54 21.063 29.537 -11.742 1.00 0.00 O ATOM 783 OE2 GLU A 54 22.131 27.625 -11.559 1.00 0.00 O ATOM 0 H GLU A 54 19.946 28.423 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 54 19.053 30.878 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.126 30.886 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.537 30.497 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.790 28.907 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.310 27.995 -9.056 1.00 0.00 H new ATOM 790 N ASP A 55 18.732 27.780 -9.597 1.00 0.00 N ATOM 791 CA ASP A 55 18.121 26.868 -10.558 1.00 0.00 C ATOM 792 C ASP A 55 17.088 25.975 -9.878 1.00 0.00 C ATOM 793 O ASP A 55 17.268 25.561 -8.733 1.00 0.00 O ATOM 794 CB ASP A 55 19.193 26.009 -11.231 1.00 0.00 C ATOM 795 CG ASP A 55 19.417 26.394 -12.681 1.00 0.00 C ATOM 796 OD1 ASP A 55 19.341 27.600 -12.992 1.00 0.00 O ATOM 797 OD2 ASP A 55 19.667 25.488 -13.503 1.00 0.00 O ATOM 0 H ASP A 55 19.011 27.343 -8.719 1.00 0.00 H new ATOM 0 HA ASP A 55 17.615 27.464 -11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.130 26.107 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.901 24.960 -11.177 1.00 0.00 H new ATOM 802 N ALA A 56 16.006 25.682 -10.591 1.00 0.00 N ATOM 803 CA ALA A 56 14.945 24.837 -10.057 1.00 0.00 C ATOM 804 C ALA A 56 14.343 23.957 -11.147 1.00 0.00 C ATOM 805 O ALA A 56 13.778 24.456 -12.120 1.00 0.00 O ATOM 806 CB ALA A 56 13.865 25.692 -9.410 1.00 0.00 C ATOM 0 H ALA A 56 15.841 26.017 -11.540 1.00 0.00 H new ATOM 0 HA ALA A 56 15.380 24.185 -9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.079 25.048 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.300 26.274 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.442 26.367 -10.153 1.00 0.00 H new ATOM 812 N ARG A 57 14.469 22.644 -10.978 1.00 0.00 N ATOM 813 CA ARG A 57 13.939 21.694 -11.948 1.00 0.00 C ATOM 814 C ARG A 57 12.723 20.964 -11.386 1.00 0.00 C ATOM 815 O ARG A 57 12.363 21.140 -10.222 1.00 0.00 O ATOM 816 CB ARG A 57 15.017 20.684 -12.345 1.00 0.00 C ATOM 817 CG ARG A 57 15.281 20.631 -13.841 1.00 0.00 C ATOM 818 CD ARG A 57 16.462 21.507 -14.229 1.00 0.00 C ATOM 819 NE ARG A 57 16.054 22.878 -14.524 1.00 0.00 N ATOM 820 CZ ARG A 57 15.346 23.219 -15.595 1.00 0.00 C ATOM 821 NH1 ARG A 57 14.970 22.294 -16.468 1.00 0.00 N ATOM 822 NH2 ARG A 57 15.012 24.488 -15.795 1.00 0.00 N ATOM 0 H ARG A 57 14.934 22.215 -10.178 1.00 0.00 H new ATOM 0 HA ARG A 57 13.629 22.250 -12.833 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.944 20.934 -11.830 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.719 19.693 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.476 19.601 -14.141 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.392 20.957 -14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.191 21.512 -13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 57 16.958 21.081 -15.101 1.00 0.00 H new ATOM 0 HE ARG A 57 16.328 23.613 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.224 21.318 -16.318 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.426 22.559 -17.289 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.299 25.202 -15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.468 24.749 -16.618 1.00 0.00 H new ATOM 836 N PHE A 58 12.094 20.143 -12.221 1.00 0.00 N ATOM 837 CA PHE A 58 10.918 19.386 -11.808 1.00 0.00 C ATOM 838 C PHE A 58 10.730 18.152 -12.685 1.00 0.00 C ATOM 839 O PHE A 58 11.076 18.157 -13.867 1.00 0.00 O ATOM 840 CB PHE A 58 9.669 20.268 -11.874 1.00 0.00 C ATOM 841 CG PHE A 58 8.388 19.509 -11.675 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.140 18.844 -10.485 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.433 19.461 -12.678 1.00 0.00 C ATOM 844 CE1 PHE A 58 6.962 18.145 -10.299 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.254 18.764 -12.497 1.00 0.00 C ATOM 846 CZ PHE A 58 6.018 18.104 -11.306 1.00 0.00 C ATOM 0 H PHE A 58 12.379 19.985 -13.188 1.00 0.00 H new ATOM 0 HA PHE A 58 11.070 19.059 -10.779 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.743 21.046 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.639 20.769 -12.841 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.875 18.872 -9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.612 19.974 -13.611 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.780 17.631 -9.367 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.517 18.735 -13.286 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.098 17.557 -11.163 1.00 0.00 H new ATOM 856 N LYS A 59 10.179 17.095 -12.098 1.00 0.00 N ATOM 857 CA LYS A 59 9.943 15.853 -12.824 1.00 0.00 C ATOM 858 C LYS A 59 8.534 15.330 -12.565 1.00 0.00 C ATOM 859 O LYS A 59 8.246 14.794 -11.494 1.00 0.00 O ATOM 860 CB LYS A 59 10.973 14.796 -12.416 1.00 0.00 C ATOM 861 CG LYS A 59 12.198 14.764 -13.313 1.00 0.00 C ATOM 862 CD LYS A 59 12.351 13.417 -14.000 1.00 0.00 C ATOM 863 CE LYS A 59 11.656 13.399 -15.352 1.00 0.00 C ATOM 864 NZ LYS A 59 12.459 14.091 -16.398 1.00 0.00 N ATOM 0 H LYS A 59 9.887 17.074 -11.121 1.00 0.00 H new ATOM 0 HA LYS A 59 10.045 16.060 -13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.289 14.985 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.499 13.815 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.121 15.550 -14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.089 14.975 -12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.410 13.192 -14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.935 12.634 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.477 12.367 -15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.681 13.879 -15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.951 14.057 -17.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.608 15.082 -16.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.379 13.618 -16.499 1.00 0.00 H new ATOM 978 N ALA A 68 -0.053 22.038 -11.478 1.00 0.00 N ATOM 979 CA ALA A 68 0.390 23.414 -11.290 1.00 0.00 C ATOM 980 C ALA A 68 1.043 23.600 -9.925 1.00 0.00 C ATOM 981 O ALA A 68 1.916 24.451 -9.754 1.00 0.00 O ATOM 982 CB ALA A 68 -0.781 24.372 -11.451 1.00 0.00 C ATOM 0 HA ALA A 68 1.136 23.636 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.436 25.396 -11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.202 24.267 -12.451 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.545 24.140 -10.709 1.00 0.00 H new ATOM 988 N SER A 69 0.616 22.797 -8.956 1.00 0.00 N ATOM 989 CA SER A 69 1.157 22.876 -7.604 1.00 0.00 C ATOM 990 C SER A 69 2.675 22.726 -7.616 1.00 0.00 C ATOM 991 O SER A 69 3.372 23.283 -6.769 1.00 0.00 O ATOM 992 CB SER A 69 0.533 21.795 -6.718 1.00 0.00 C ATOM 993 OG SER A 69 -0.197 22.371 -5.649 1.00 0.00 O ATOM 0 H SER A 69 -0.103 22.084 -9.082 1.00 0.00 H new ATOM 0 HA SER A 69 0.910 23.857 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.127 21.166 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.316 21.149 -6.321 1.00 0.00 H new ATOM 0 HG SER A 69 -0.587 21.660 -5.099 1.00 0.00 H new ATOM 999 N SER A 70 3.180 21.968 -8.584 1.00 0.00 N ATOM 1000 CA SER A 70 4.615 21.740 -8.707 1.00 0.00 C ATOM 1001 C SER A 70 5.279 22.868 -9.491 1.00 0.00 C ATOM 1002 O SER A 70 6.318 23.391 -9.088 1.00 0.00 O ATOM 1003 CB SER A 70 4.883 20.399 -9.393 1.00 0.00 C ATOM 1004 OG SER A 70 4.999 19.354 -8.443 1.00 0.00 O ATOM 0 H SER A 70 2.617 21.501 -9.295 1.00 0.00 H new ATOM 0 HA SER A 70 5.042 21.718 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.074 20.175 -10.088 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.799 20.464 -9.980 1.00 0.00 H new ATOM 0 HG SER A 70 5.582 18.651 -8.799 1.00 0.00 H new ATOM 1010 N SER A 71 4.672 23.237 -10.614 1.00 0.00 N ATOM 1011 CA SER A 71 5.205 24.299 -11.458 1.00 0.00 C ATOM 1012 C SER A 71 5.202 25.634 -10.719 1.00 0.00 C ATOM 1013 O SER A 71 5.959 26.545 -11.055 1.00 0.00 O ATOM 1014 CB SER A 71 4.388 24.415 -12.746 1.00 0.00 C ATOM 1015 OG SER A 71 5.066 23.815 -13.836 1.00 0.00 O ATOM 0 H SER A 71 3.810 22.816 -10.961 1.00 0.00 H new ATOM 0 HA SER A 71 6.235 24.045 -11.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.418 23.937 -12.609 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.197 25.465 -12.966 1.00 0.00 H new ATOM 0 HG SER A 71 4.522 23.901 -14.647 1.00 0.00 H new ATOM 1021 N LEU A 72 4.345 25.741 -9.709 1.00 0.00 N ATOM 1022 CA LEU A 72 4.241 26.964 -8.921 1.00 0.00 C ATOM 1023 C LEU A 72 5.347 27.031 -7.872 1.00 0.00 C ATOM 1024 O LEU A 72 6.044 28.039 -7.753 1.00 0.00 O ATOM 1025 CB LEU A 72 2.873 27.042 -8.241 1.00 0.00 C ATOM 1026 CG LEU A 72 2.753 28.034 -7.084 1.00 0.00 C ATOM 1027 CD1 LEU A 72 1.543 28.935 -7.276 1.00 0.00 C ATOM 1028 CD2 LEU A 72 2.666 27.296 -5.756 1.00 0.00 C ATOM 0 H LEU A 72 3.713 24.996 -9.417 1.00 0.00 H new ATOM 0 HA LEU A 72 4.353 27.812 -9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.130 27.302 -8.995 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.617 26.050 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 72 3.646 28.659 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.474 29.634 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.647 29.490 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.639 28.327 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.581 28.018 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.791 26.646 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.564 26.694 -5.615 1.00 0.00 H new ATOM 1040 N VAL A 73 5.503 25.950 -7.114 1.00 0.00 N ATOM 1041 CA VAL A 73 6.526 25.884 -6.078 1.00 0.00 C ATOM 1042 C VAL A 73 7.923 25.998 -6.677 1.00 0.00 C ATOM 1043 O VAL A 73 8.857 26.461 -6.021 1.00 0.00 O ATOM 1044 CB VAL A 73 6.429 24.573 -5.275 1.00 0.00 C ATOM 1045 CG1 VAL A 73 5.158 24.552 -4.440 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.484 23.373 -6.208 1.00 0.00 C ATOM 0 H VAL A 73 4.934 25.108 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 73 6.351 26.725 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 73 7.281 24.517 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.106 23.619 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.165 25.392 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.291 24.630 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.414 22.455 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.652 23.420 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.425 23.383 -6.758 1.00 0.00 H new ATOM 1056 N THR A 74 8.061 25.574 -7.929 1.00 0.00 N ATOM 1057 CA THR A 74 9.344 25.627 -8.618 1.00 0.00 C ATOM 1058 C THR A 74 9.726 27.063 -8.959 1.00 0.00 C ATOM 1059 O THR A 74 10.824 27.516 -8.638 1.00 0.00 O ATOM 1060 CB THR A 74 9.322 24.792 -9.912 1.00 0.00 C ATOM 1061 OG1 THR A 74 8.024 24.853 -10.513 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.688 23.343 -9.628 1.00 0.00 C ATOM 0 H THR A 74 7.299 25.190 -8.487 1.00 0.00 H new ATOM 0 HA THR A 74 10.086 25.209 -7.938 1.00 0.00 H new ATOM 0 HB THR A 74 10.059 25.208 -10.599 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.470 24.122 -10.169 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.666 22.773 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.689 23.298 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.972 22.918 -8.924 1.00 0.00 H new ATOM 1070 N GLU A 75 8.811 27.775 -9.611 1.00 0.00 N ATOM 1071 CA GLU A 75 9.054 29.160 -9.996 1.00 0.00 C ATOM 1072 C GLU A 75 9.251 30.040 -8.765 1.00 0.00 C ATOM 1073 O GLU A 75 9.829 31.123 -8.849 1.00 0.00 O ATOM 1074 CB GLU A 75 7.890 29.691 -10.835 1.00 0.00 C ATOM 1075 CG GLU A 75 6.541 29.583 -10.142 1.00 0.00 C ATOM 1076 CD GLU A 75 5.417 30.196 -10.955 1.00 0.00 C ATOM 1077 OE1 GLU A 75 5.479 30.128 -12.200 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.475 30.744 -10.344 1.00 0.00 O ATOM 0 H GLU A 75 7.896 27.415 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 75 9.966 29.190 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.079 30.735 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.851 29.142 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.317 28.533 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.594 30.077 -9.172 1.00 0.00 H new ATOM 1085 N TRP A 76 8.766 29.566 -7.623 1.00 0.00 N ATOM 1086 CA TRP A 76 8.887 30.309 -6.374 1.00 0.00 C ATOM 1087 C TRP A 76 10.283 30.152 -5.781 1.00 0.00 C ATOM 1088 O TRP A 76 10.907 31.130 -5.369 1.00 0.00 O ATOM 1089 CB TRP A 76 7.836 29.834 -5.369 1.00 0.00 C ATOM 1090 CG TRP A 76 6.760 30.845 -5.113 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.414 30.616 -5.070 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.939 32.244 -4.867 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.746 31.789 -4.812 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.659 32.802 -4.682 1.00 0.00 C ATOM 1095 CE3 TRP A 76 8.056 33.079 -4.782 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.468 34.156 -4.420 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.865 34.423 -4.522 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.579 34.950 -4.343 1.00 0.00 C ATOM 0 H TRP A 76 8.285 28.671 -7.536 1.00 0.00 H new ATOM 0 HA TRP A 76 8.721 31.364 -6.591 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.381 28.915 -5.737 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.328 29.591 -4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.944 29.655 -5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.734 31.889 -4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 76 9.051 32.681 -4.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.478 34.565 -4.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.721 35.078 -4.456 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.463 36.004 -4.140 1.00 0.00 H new ATOM 1109 N VAL A 77 10.769 28.915 -5.740 1.00 0.00 N ATOM 1110 CA VAL A 77 12.092 28.631 -5.199 1.00 0.00 C ATOM 1111 C VAL A 77 13.187 29.188 -6.102 1.00 0.00 C ATOM 1112 O VAL A 77 14.293 29.482 -5.647 1.00 0.00 O ATOM 1113 CB VAL A 77 12.311 27.117 -5.018 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.331 26.553 -4.001 1.00 0.00 C ATOM 1115 CG2 VAL A 77 12.180 26.397 -6.352 1.00 0.00 C ATOM 0 H VAL A 77 10.265 28.094 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 77 12.147 29.118 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 77 13.321 26.956 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.501 25.482 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.477 27.048 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.311 26.724 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.338 25.328 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.183 26.564 -6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.925 26.782 -7.048 1.00 0.00 H new ATOM 1125 N LYS A 78 12.872 29.331 -7.385 1.00 0.00 N ATOM 1126 CA LYS A 78 13.828 29.854 -8.354 1.00 0.00 C ATOM 1127 C LYS A 78 14.227 31.285 -8.006 1.00 0.00 C ATOM 1128 O LYS A 78 13.551 32.238 -8.389 1.00 0.00 O ATOM 1129 CB LYS A 78 13.233 29.807 -9.763 1.00 0.00 C ATOM 1130 CG LYS A 78 13.758 28.659 -10.607 1.00 0.00 C ATOM 1131 CD LYS A 78 14.133 29.119 -12.005 1.00 0.00 C ATOM 1132 CE LYS A 78 13.012 28.852 -12.999 1.00 0.00 C ATOM 1133 NZ LYS A 78 13.511 28.181 -14.231 1.00 0.00 N ATOM 0 H LYS A 78 11.962 29.092 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 78 14.720 29.229 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.149 29.725 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.447 30.748 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.629 28.219 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.001 27.878 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.361 30.185 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.038 28.604 -12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.251 28.229 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.533 29.793 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.717 28.017 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.219 28.786 -14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.946 27.271 -13.979 1.00 0.00 H new ATOM 1147 N GLY A 79 15.330 31.426 -7.277 1.00 0.00 N ATOM 1148 CA GLY A 79 15.801 32.744 -6.892 1.00 0.00 C ATOM 1149 C GLY A 79 15.524 33.055 -5.434 1.00 0.00 C ATOM 1150 O GLY A 79 15.528 34.217 -5.027 1.00 0.00 O ATOM 0 H GLY A 79 15.906 30.652 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.873 32.812 -7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.321 33.496 -7.518 1.00 0.00 H new ATOM 1154 N LYS A 80 15.281 32.014 -4.645 1.00 0.00 N ATOM 1155 CA LYS A 80 14.999 32.180 -3.224 1.00 0.00 C ATOM 1156 C LYS A 80 16.024 31.433 -2.376 1.00 0.00 C ATOM 1157 O LYS A 80 16.648 30.477 -2.837 1.00 0.00 O ATOM 1158 CB LYS A 80 13.590 31.678 -2.900 1.00 0.00 C ATOM 1159 CG LYS A 80 12.648 32.773 -2.429 1.00 0.00 C ATOM 1160 CD LYS A 80 11.202 32.443 -2.759 1.00 0.00 C ATOM 1161 CE LYS A 80 10.302 32.612 -1.544 1.00 0.00 C ATOM 1162 NZ LYS A 80 9.919 31.300 -0.951 1.00 0.00 N ATOM 0 H LYS A 80 15.274 31.046 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 80 15.062 33.242 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.169 31.205 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.655 30.910 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.755 32.908 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.923 33.718 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.854 33.090 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.135 31.418 -3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.814 33.214 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.403 33.157 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.624 31.438 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.132 30.890 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.734 30.654 -0.981 1.00 0.00 H new ATOM 1176 N SER A 81 16.191 31.875 -1.133 1.00 0.00 N ATOM 1177 CA SER A 81 17.142 31.249 -0.221 1.00 0.00 C ATOM 1178 C SER A 81 16.602 29.921 0.299 1.00 0.00 C ATOM 1179 O SER A 81 15.493 29.510 -0.045 1.00 0.00 O ATOM 1180 CB SER A 81 17.447 32.184 0.951 1.00 0.00 C ATOM 1181 OG SER A 81 16.323 32.314 1.805 1.00 0.00 O ATOM 0 H SER A 81 15.681 32.663 -0.735 1.00 0.00 H new ATOM 0 HA SER A 81 18.063 31.056 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.295 31.798 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.736 33.165 0.573 1.00 0.00 H new ATOM 0 HG SER A 81 15.890 33.178 1.646 1.00 0.00 H new ATOM 1187 N LEU A 82 17.394 29.253 1.131 1.00 0.00 N ATOM 1188 CA LEU A 82 16.997 27.970 1.701 1.00 0.00 C ATOM 1189 C LEU A 82 15.874 28.150 2.717 1.00 0.00 C ATOM 1190 O LEU A 82 14.886 27.415 2.702 1.00 0.00 O ATOM 1191 CB LEU A 82 18.196 27.291 2.364 1.00 0.00 C ATOM 1192 CG LEU A 82 19.497 27.291 1.559 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.688 27.041 2.471 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.440 26.246 0.454 1.00 0.00 C ATOM 0 H LEU A 82 18.315 29.579 1.426 1.00 0.00 H new ATOM 0 HA LEU A 82 16.632 27.338 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.383 27.781 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.928 26.258 2.583 1.00 0.00 H new ATOM 0 HG LEU A 82 19.618 28.271 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.605 27.044 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.739 27.826 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.575 26.074 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.374 26.260 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.296 25.259 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.610 26.470 -0.216 1.00 0.00 H new ATOM 1206 N ASP A 83 16.031 29.132 3.597 1.00 0.00 N ATOM 1207 CA ASP A 83 15.029 29.411 4.620 1.00 0.00 C ATOM 1208 C ASP A 83 13.719 29.868 3.986 1.00 0.00 C ATOM 1209 O ASP A 83 12.640 29.439 4.392 1.00 0.00 O ATOM 1210 CB ASP A 83 15.541 30.478 5.588 1.00 0.00 C ATOM 1211 CG ASP A 83 16.353 29.888 6.724 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.227 29.038 6.450 1.00 0.00 O ATOM 1213 OD2 ASP A 83 16.116 30.276 7.887 1.00 0.00 O ATOM 0 H ASP A 83 16.843 29.749 3.623 1.00 0.00 H new ATOM 0 HA ASP A 83 14.843 28.490 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.153 31.196 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.694 31.028 5.998 1.00 0.00 H new ATOM 1218 N GLU A 84 13.823 30.742 2.989 1.00 0.00 N ATOM 1219 CA GLU A 84 12.645 31.258 2.301 1.00 0.00 C ATOM 1220 C GLU A 84 11.785 30.117 1.765 1.00 0.00 C ATOM 1221 O GLU A 84 10.608 30.001 2.104 1.00 0.00 O ATOM 1222 CB GLU A 84 13.061 32.180 1.153 1.00 0.00 C ATOM 1223 CG GLU A 84 13.364 33.602 1.595 1.00 0.00 C ATOM 1224 CD GLU A 84 14.056 34.413 0.516 1.00 0.00 C ATOM 1225 OE1 GLU A 84 15.213 34.085 0.178 1.00 0.00 O ATOM 1226 OE2 GLU A 84 13.442 35.376 0.011 1.00 0.00 O ATOM 0 H GLU A 84 14.709 31.107 2.640 1.00 0.00 H new ATOM 0 HA GLU A 84 12.056 31.827 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.943 31.764 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.265 32.201 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.435 34.097 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.993 33.576 2.485 1.00 0.00 H new ATOM 1233 N ALA A 85 12.382 29.278 0.924 1.00 0.00 N ATOM 1234 CA ALA A 85 11.672 28.146 0.342 1.00 0.00 C ATOM 1235 C ALA A 85 11.177 27.193 1.424 1.00 0.00 C ATOM 1236 O ALA A 85 10.050 26.702 1.364 1.00 0.00 O ATOM 1237 CB ALA A 85 12.568 27.411 -0.643 1.00 0.00 C ATOM 0 H ALA A 85 13.355 29.361 0.631 1.00 0.00 H new ATOM 0 HA ALA A 85 10.803 28.530 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.025 26.568 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.867 28.091 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.455 27.046 -0.126 1.00 0.00 H new ATOM 1243 N GLN A 86 12.028 26.934 2.412 1.00 0.00 N ATOM 1244 CA GLN A 86 11.677 26.037 3.507 1.00 0.00 C ATOM 1245 C GLN A 86 10.562 26.632 4.362 1.00 0.00 C ATOM 1246 O GLN A 86 9.898 25.921 5.115 1.00 0.00 O ATOM 1247 CB GLN A 86 12.904 25.752 4.374 1.00 0.00 C ATOM 1248 CG GLN A 86 12.804 24.456 5.163 1.00 0.00 C ATOM 1249 CD GLN A 86 13.260 24.610 6.600 1.00 0.00 C ATOM 1250 OE1 GLN A 86 14.212 23.961 7.034 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.582 25.474 7.347 1.00 0.00 N ATOM 0 H GLN A 86 12.965 27.332 2.477 1.00 0.00 H new ATOM 0 HA GLN A 86 11.320 25.101 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.787 25.712 3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 86 13.048 26.580 5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.772 24.106 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.407 23.691 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.799 25.991 6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.844 25.621 8.322 1.00 0.00 H new ATOM 1260 N ALA A 87 10.364 27.940 4.239 1.00 0.00 N ATOM 1261 CA ALA A 87 9.329 28.630 4.999 1.00 0.00 C ATOM 1262 C ALA A 87 7.963 28.466 4.341 1.00 0.00 C ATOM 1263 O ALA A 87 6.928 28.615 4.992 1.00 0.00 O ATOM 1264 CB ALA A 87 9.674 30.105 5.142 1.00 0.00 C ATOM 0 H ALA A 87 10.906 28.543 3.621 1.00 0.00 H new ATOM 0 HA ALA A 87 9.282 28.181 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.893 30.608 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.626 30.207 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.751 30.558 4.154 1.00 0.00 H new ATOM 1270 N ILE A 88 7.967 28.157 3.049 1.00 0.00 N ATOM 1271 CA ILE A 88 6.728 27.972 2.304 1.00 0.00 C ATOM 1272 C ILE A 88 5.796 27.000 3.020 1.00 0.00 C ATOM 1273 O ILE A 88 6.236 25.983 3.558 1.00 0.00 O ATOM 1274 CB ILE A 88 6.999 27.452 0.880 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.775 28.494 0.072 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.691 27.102 0.186 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.320 27.962 -1.234 1.00 0.00 C ATOM 0 H ILE A 88 8.815 28.029 2.496 1.00 0.00 H new ATOM 0 HA ILE A 88 6.250 28.949 2.240 1.00 0.00 H new ATOM 0 HB ILE A 88 7.605 26.548 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.122 29.342 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.602 28.868 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.899 26.736 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.173 26.329 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.062 27.990 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.858 28.755 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.999 27.133 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.496 27.614 -1.857 1.00 0.00 H new ATOM 1289 N LYS A 89 4.506 27.318 3.021 1.00 0.00 N ATOM 1290 CA LYS A 89 3.510 26.471 3.668 1.00 0.00 C ATOM 1291 C LYS A 89 2.487 25.965 2.656 1.00 0.00 C ATOM 1292 O LYS A 89 2.075 26.696 1.757 1.00 0.00 O ATOM 1293 CB LYS A 89 2.801 27.244 4.782 1.00 0.00 C ATOM 1294 CG LYS A 89 3.619 27.362 6.056 1.00 0.00 C ATOM 1295 CD LYS A 89 4.197 28.758 6.220 1.00 0.00 C ATOM 1296 CE LYS A 89 3.118 29.772 6.565 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.451 29.454 7.858 1.00 0.00 N ATOM 0 H LYS A 89 4.125 28.156 2.581 1.00 0.00 H new ATOM 0 HA LYS A 89 4.024 25.612 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.559 28.244 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.857 26.750 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.992 27.123 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.428 26.632 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.954 28.750 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.697 29.056 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.559 30.767 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.374 29.796 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.969 30.302 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.754 28.696 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.163 29.141 8.548 1.00 0.00 H new ATOM 1311 N ASN A 90 2.081 24.708 2.810 1.00 0.00 N ATOM 1312 CA ASN A 90 1.106 24.104 1.910 1.00 0.00 C ATOM 1313 C ASN A 90 -0.105 25.015 1.730 1.00 0.00 C ATOM 1314 O ASN A 90 -0.711 25.057 0.659 1.00 0.00 O ATOM 1315 CB ASN A 90 0.660 22.743 2.447 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.423 22.864 3.502 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -1.603 22.647 3.224 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -0.026 23.213 4.720 1.00 0.00 N ATOM 0 H ASN A 90 2.412 24.089 3.550 1.00 0.00 H new ATOM 0 HA ASN A 90 1.581 23.965 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.293 22.133 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.519 22.223 2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.710 23.311 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.963 23.383 4.905 1.00 0.00 H new ATOM 1325 N THR A 91 -0.453 25.743 2.787 1.00 0.00 N ATOM 1326 CA THR A 91 -1.592 26.652 2.747 1.00 0.00 C ATOM 1327 C THR A 91 -1.458 27.651 1.604 1.00 0.00 C ATOM 1328 O THR A 91 -2.441 27.993 0.947 1.00 0.00 O ATOM 1329 CB THR A 91 -1.742 27.423 4.072 1.00 0.00 C ATOM 1330 OG1 THR A 91 -2.856 28.319 3.995 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.476 28.205 4.390 1.00 0.00 C ATOM 0 H THR A 91 0.038 25.721 3.681 1.00 0.00 H new ATOM 0 HA THR A 91 -2.480 26.040 2.589 1.00 0.00 H new ATOM 0 HB THR A 91 -1.913 26.700 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.945 28.804 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.606 28.741 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.364 27.517 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.278 28.918 3.590 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.235 28.115 1.370 1.00 0.00 N ATOM 1340 CA ASP A 92 0.028 29.075 0.304 1.00 0.00 C ATOM 1341 C ASP A 92 -0.151 28.428 -1.066 1.00 0.00 C ATOM 1342 O ASP A 92 -0.653 29.056 -1.999 1.00 0.00 O ATOM 1343 CB ASP A 92 1.444 29.639 0.434 1.00 0.00 C ATOM 1344 CG ASP A 92 1.491 31.139 0.221 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.999 31.605 -0.829 1.00 0.00 O ATOM 1346 OD2 ASP A 92 2.019 31.847 1.104 1.00 0.00 O ATOM 0 H ASP A 92 0.590 27.842 1.904 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.689 29.890 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.837 29.403 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.094 29.151 -0.292 1.00 0.00 H new ATOM 1351 N ILE A 93 0.262 27.170 -1.179 1.00 0.00 N ATOM 1352 CA ILE A 93 0.147 26.439 -2.434 1.00 0.00 C ATOM 1353 C ILE A 93 -1.282 25.956 -2.661 1.00 0.00 C ATOM 1354 O ILE A 93 -1.689 25.701 -3.793 1.00 0.00 O ATOM 1355 CB ILE A 93 1.098 25.227 -2.469 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.548 25.684 -2.295 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.931 24.461 -3.773 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.978 25.791 -0.849 1.00 0.00 C ATOM 0 H ILE A 93 0.679 26.636 -0.416 1.00 0.00 H new ATOM 0 HA ILE A 93 0.424 27.132 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 93 0.845 24.561 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.205 24.984 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.675 26.654 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.609 23.608 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.097 24.109 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.161 25.117 -4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.016 26.120 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.345 26.513 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.883 24.817 -0.368 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.038 25.835 -1.575 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.423 25.387 -1.655 1.00 0.00 C ATOM 1372 C ALA A 94 -4.317 26.472 -2.247 1.00 0.00 C ATOM 1373 O ALA A 94 -5.070 26.222 -3.188 1.00 0.00 O ATOM 1374 CB ALA A 94 -3.926 24.979 -0.278 1.00 0.00 C ATOM 0 H ALA A 94 -1.715 26.041 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.462 24.520 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.961 24.647 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.311 24.166 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.866 25.832 0.398 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.229 27.675 -1.688 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.033 28.796 -2.161 1.00 0.00 C ATOM 1382 C GLU A 95 -4.458 29.371 -3.452 1.00 0.00 C ATOM 1383 O GLU A 95 -5.171 29.998 -4.235 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.104 29.888 -1.091 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.488 29.369 0.284 1.00 0.00 C ATOM 1386 CD GLU A 95 -6.908 28.839 0.332 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.753 29.333 -0.442 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.173 27.928 1.145 1.00 0.00 O ATOM 0 H GLU A 95 -3.610 27.898 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.039 28.429 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.136 30.384 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.828 30.642 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.798 28.577 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.378 30.171 1.014 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.165 29.152 -3.666 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.494 29.649 -4.862 1.00 0.00 C ATOM 1397 C GLU A 96 -3.218 29.187 -6.124 1.00 0.00 C ATOM 1398 O GLU A 96 -3.474 29.979 -7.032 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.039 29.175 -4.893 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.037 30.265 -4.553 1.00 0.00 C ATOM 1401 CD GLU A 96 -0.032 31.391 -5.569 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.761 31.282 -6.578 1.00 0.00 O ATOM 1403 OE2 GLU A 96 0.700 32.380 -5.357 1.00 0.00 O ATOM 0 H GLU A 96 -2.561 28.634 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.513 30.738 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.919 28.351 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.814 28.783 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.267 30.671 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.961 29.830 -4.493 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.543 27.900 -6.173 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.237 27.330 -7.323 1.00 0.00 C ATOM 1412 C LEU A 97 -5.614 26.810 -6.926 1.00 0.00 C ATOM 1413 O LEU A 97 -6.346 26.269 -7.753 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.409 26.199 -7.934 1.00 0.00 C ATOM 1415 CG LEU A 97 -1.975 26.554 -8.329 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.054 25.360 -8.127 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.921 27.033 -9.772 1.00 0.00 C ATOM 0 H LEU A 97 -3.337 27.232 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.367 28.118 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.375 25.375 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.928 25.833 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.632 27.364 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.038 25.632 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.068 25.063 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.395 24.529 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.893 27.281 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.284 26.244 -10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.548 27.918 -9.885 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.961 26.980 -5.654 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.252 26.528 -5.147 1.00 0.00 C ATOM 1431 C GLU A 98 -7.497 25.066 -5.509 1.00 0.00 C ATOM 1432 O GLU A 98 -8.346 24.755 -6.345 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.378 27.399 -5.708 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.101 28.890 -5.609 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.258 29.733 -6.110 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -9.535 29.698 -7.327 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.886 30.427 -5.284 1.00 0.00 O ATOM 0 H GLU A 98 -5.367 27.427 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.239 26.618 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.542 27.137 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.301 27.173 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.891 29.149 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.207 29.129 -6.184 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.746 24.172 -4.875 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.880 22.742 -5.129 1.00 0.00 C ATOM 1446 C LEU A 99 -8.269 22.247 -4.736 1.00 0.00 C ATOM 1447 O LEU A 99 -8.915 22.786 -3.838 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.812 21.965 -4.358 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.599 21.508 -5.168 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -3.757 22.702 -5.588 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.764 20.519 -4.367 1.00 0.00 C ATOM 0 H LEU A 99 -6.038 24.412 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.743 22.573 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.461 22.588 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.280 21.086 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.955 21.006 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.898 22.357 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.358 23.374 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.410 23.233 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.905 20.205 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.418 20.995 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.371 19.649 -4.118 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.738 21.195 -5.423 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.053 20.602 -5.162 1.00 0.00 C ATOM 1465 C PRO A 100 -10.106 19.875 -3.822 1.00 0.00 C ATOM 1466 O PRO A 100 -9.091 19.413 -3.299 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.231 19.611 -6.315 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.844 19.265 -6.734 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.021 20.503 -6.507 1.00 0.00 C ATOM 0 HA PRO A 100 -10.837 21.358 -5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.780 18.726 -5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.793 20.056 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.458 18.428 -6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.816 18.965 -7.781 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.998 20.259 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.962 21.117 -7.406 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.315 19.770 -3.252 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.528 19.099 -1.967 1.00 0.00 C ATOM 1479 C PRO A 101 -11.333 17.590 -2.061 1.00 0.00 C ATOM 1480 O PRO A 101 -11.282 16.896 -1.045 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.985 19.430 -1.631 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.630 19.682 -2.951 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.568 20.297 -3.820 1.00 0.00 C ATOM 0 HA PRO A 101 -10.816 19.431 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.467 18.606 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.053 20.304 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.002 18.755 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.484 20.351 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.688 20.010 -4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.599 21.386 -3.783 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.224 17.087 -3.287 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.033 15.660 -3.513 1.00 0.00 C ATOM 1493 C VAL A 102 -9.882 15.119 -2.672 1.00 0.00 C ATOM 1494 O VAL A 102 -9.986 14.050 -2.071 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.754 15.359 -4.998 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.001 15.599 -5.835 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -9.592 16.203 -5.503 1.00 0.00 C ATOM 0 H VAL A 102 -11.265 17.647 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.959 15.167 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.479 14.309 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.785 15.381 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.803 14.948 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.310 16.640 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.408 15.978 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.836 17.260 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.698 15.976 -4.922 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.784 15.865 -2.633 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.612 15.464 -1.863 1.00 0.00 C ATOM 1509 C LYS A 103 -6.718 16.664 -1.566 1.00 0.00 C ATOM 1510 O LYS A 103 -5.694 16.863 -2.220 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.818 14.399 -2.623 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.641 13.843 -1.840 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.102 12.996 -0.666 1.00 0.00 C ATOM 1514 CE LYS A 103 -4.939 12.258 -0.020 1.00 0.00 C ATOM 1515 NZ LYS A 103 -5.128 12.103 1.449 1.00 0.00 N ATOM 0 H LYS A 103 -8.681 16.752 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.956 15.047 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.486 13.580 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.453 14.827 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.015 13.242 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.024 14.665 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.587 13.632 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.847 12.277 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.833 11.275 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.013 12.800 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.259 11.719 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.339 13.030 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.919 11.452 1.631 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.111 17.458 -0.577 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.344 18.636 -0.192 1.00 0.00 C ATOM 1531 C ILE A 104 -4.877 18.286 0.037 1.00 0.00 C ATOM 1532 O ILE A 104 -3.997 19.137 -0.093 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.911 19.285 1.084 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.348 19.755 0.849 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.033 20.448 1.521 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.471 20.802 -0.236 1.00 0.00 C ATOM 0 H ILE A 104 -7.957 17.307 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.421 19.346 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.918 18.540 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.964 18.896 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.746 20.159 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.447 20.897 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.025 20.087 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.998 21.195 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.517 21.088 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.882 21.678 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.103 20.395 -1.178 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.621 17.027 0.377 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.260 16.563 0.622 1.00 0.00 C ATOM 1550 C HIS A 105 -2.351 16.901 -0.555 1.00 0.00 C ATOM 1551 O HIS A 105 -1.138 17.045 -0.394 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.251 15.054 0.872 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.358 14.640 2.001 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.434 15.193 3.262 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.367 13.720 2.054 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -1.527 14.632 4.042 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -0.866 13.734 3.333 1.00 0.00 N ATOM 0 H HIS A 105 -5.338 16.310 0.489 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.882 17.073 1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.268 14.723 1.083 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.933 14.545 -0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.032 13.092 1.242 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.355 14.867 5.082 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.107 13.147 3.679 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.944 17.026 -1.738 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.186 17.345 -2.943 1.00 0.00 C ATOM 1567 C CYS A 106 -1.451 18.673 -2.786 1.00 0.00 C ATOM 1568 O CYS A 106 -0.491 18.950 -3.505 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.117 17.404 -4.155 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.588 15.783 -4.803 1.00 0.00 S ATOM 0 H CYS A 106 -3.946 16.911 -1.888 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.448 16.558 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.020 17.950 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.629 17.972 -4.947 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.377 15.937 -5.824 1.00 0.00 H new ATOM 1576 N SER A 107 -1.909 19.489 -1.843 1.00 0.00 N ATOM 1577 CA SER A 107 -1.298 20.790 -1.596 1.00 0.00 C ATOM 1578 C SER A 107 -0.055 20.650 -0.722 1.00 0.00 C ATOM 1579 O SER A 107 0.921 21.381 -0.891 1.00 0.00 O ATOM 1580 CB SER A 107 -2.302 21.730 -0.926 1.00 0.00 C ATOM 1581 OG SER A 107 -3.627 21.436 -1.336 1.00 0.00 O ATOM 0 H SER A 107 -2.701 19.273 -1.237 1.00 0.00 H new ATOM 0 HA SER A 107 -1.001 21.212 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.224 21.638 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.061 22.763 -1.176 1.00 0.00 H new ATOM 0 HG SER A 107 -4.034 20.810 -0.702 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.100 19.705 0.211 1.00 0.00 N ATOM 1588 CA ILE A 108 1.022 19.468 1.111 1.00 0.00 C ATOM 1589 C ILE A 108 2.186 18.812 0.377 1.00 0.00 C ATOM 1590 O ILE A 108 3.347 18.984 0.751 1.00 0.00 O ATOM 1591 CB ILE A 108 0.612 18.577 2.299 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.312 19.346 3.246 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.845 18.081 3.039 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.775 19.245 2.877 1.00 0.00 C ATOM 0 H ILE A 108 -0.901 19.092 0.363 1.00 0.00 H new ATOM 0 HA ILE A 108 1.335 20.442 1.488 1.00 0.00 H new ATOM 0 HB ILE A 108 0.070 17.712 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.175 18.970 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.019 20.396 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.539 17.453 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.469 17.501 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.412 18.933 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.370 19.814 3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.926 19.648 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.084 18.200 2.898 1.00 0.00 H new ATOM 1606 N LEU A 109 1.869 18.061 -0.672 1.00 0.00 N ATOM 1607 CA LEU A 109 2.889 17.380 -1.462 1.00 0.00 C ATOM 1608 C LEU A 109 3.794 18.386 -2.167 1.00 0.00 C ATOM 1609 O LEU A 109 4.990 18.149 -2.334 1.00 0.00 O ATOM 1610 CB LEU A 109 2.234 16.458 -2.492 1.00 0.00 C ATOM 1611 CG LEU A 109 1.330 15.360 -1.930 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.805 14.476 -3.051 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.079 14.529 -0.899 1.00 0.00 C ATOM 0 H LEU A 109 0.914 17.908 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 109 3.499 16.783 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.646 17.070 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.021 15.987 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 109 0.479 15.832 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.164 13.700 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.232 15.081 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.643 14.012 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.421 13.753 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.948 14.067 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.405 15.172 -0.081 1.00 0.00 H new ATOM 1625 N ALA A 110 3.215 19.510 -2.575 1.00 0.00 N ATOM 1626 CA ALA A 110 3.970 20.554 -3.257 1.00 0.00 C ATOM 1627 C ALA A 110 5.038 21.145 -2.344 1.00 0.00 C ATOM 1628 O ALA A 110 6.196 21.283 -2.737 1.00 0.00 O ATOM 1629 CB ALA A 110 3.032 21.646 -3.751 1.00 0.00 C ATOM 0 H ALA A 110 2.226 19.721 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 110 4.471 20.105 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.609 22.419 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.309 21.218 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.505 22.084 -2.903 1.00 0.00 H new ATOM 1635 N GLU A 111 4.640 21.494 -1.124 1.00 0.00 N ATOM 1636 CA GLU A 111 5.565 22.072 -0.156 1.00 0.00 C ATOM 1637 C GLU A 111 6.463 20.996 0.449 1.00 0.00 C ATOM 1638 O GLU A 111 7.542 21.290 0.962 1.00 0.00 O ATOM 1639 CB GLU A 111 4.794 22.791 0.953 1.00 0.00 C ATOM 1640 CG GLU A 111 3.933 21.864 1.794 1.00 0.00 C ATOM 1641 CD GLU A 111 3.966 22.215 3.269 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.353 23.355 3.600 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.606 21.348 4.093 1.00 0.00 O ATOM 0 H GLU A 111 3.685 21.387 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 111 6.193 22.793 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.503 23.304 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.160 23.556 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.904 21.907 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.274 20.837 1.661 1.00 0.00 H new ATOM 1650 N ASP A 112 6.008 19.750 0.384 1.00 0.00 N ATOM 1651 CA ASP A 112 6.769 18.629 0.924 1.00 0.00 C ATOM 1652 C ASP A 112 7.948 18.287 0.020 1.00 0.00 C ATOM 1653 O ASP A 112 8.984 17.812 0.486 1.00 0.00 O ATOM 1654 CB ASP A 112 5.866 17.405 1.091 1.00 0.00 C ATOM 1655 CG ASP A 112 5.047 17.460 2.365 1.00 0.00 C ATOM 1656 OD1 ASP A 112 4.897 18.565 2.927 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.556 16.397 2.801 1.00 0.00 O ATOM 0 H ASP A 112 5.116 19.490 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 112 7.156 18.921 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.196 17.332 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.478 16.503 1.095 1.00 0.00 H new ATOM 1662 N ALA A 113 7.784 18.530 -1.277 1.00 0.00 N ATOM 1663 CA ALA A 113 8.835 18.248 -2.246 1.00 0.00 C ATOM 1664 C ALA A 113 9.970 19.261 -2.135 1.00 0.00 C ATOM 1665 O ALA A 113 11.133 18.889 -1.976 1.00 0.00 O ATOM 1666 CB ALA A 113 8.265 18.245 -3.657 1.00 0.00 C ATOM 0 H ALA A 113 6.933 18.922 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 113 9.241 17.260 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.061 18.033 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.493 17.479 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.831 19.221 -3.876 1.00 0.00 H new ATOM 1672 N ILE A 114 9.624 20.541 -2.220 1.00 0.00 N ATOM 1673 CA ILE A 114 10.615 21.607 -2.128 1.00 0.00 C ATOM 1674 C ILE A 114 11.494 21.436 -0.894 1.00 0.00 C ATOM 1675 O ILE A 114 12.697 21.693 -0.934 1.00 0.00 O ATOM 1676 CB ILE A 114 9.947 22.994 -2.081 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.982 23.079 -0.897 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.218 23.275 -3.387 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.218 24.383 -0.833 1.00 0.00 C ATOM 0 H ILE A 114 8.666 20.865 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 114 11.233 21.541 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 114 10.721 23.750 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.272 22.254 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.543 22.950 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.751 24.259 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.929 23.251 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.451 22.517 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.553 24.373 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.920 25.212 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.629 24.505 -1.742 1.00 0.00 H new ATOM 1691 N LYS A 115 10.885 20.998 0.203 1.00 0.00 N ATOM 1692 CA LYS A 115 11.611 20.788 1.450 1.00 0.00 C ATOM 1693 C LYS A 115 12.619 19.653 1.308 1.00 0.00 C ATOM 1694 O LYS A 115 13.786 19.798 1.670 1.00 0.00 O ATOM 1695 CB LYS A 115 10.634 20.478 2.587 1.00 0.00 C ATOM 1696 CG LYS A 115 11.310 20.280 3.932 1.00 0.00 C ATOM 1697 CD LYS A 115 11.446 21.592 4.686 1.00 0.00 C ATOM 1698 CE LYS A 115 10.111 22.051 5.252 1.00 0.00 C ATOM 1699 NZ LYS A 115 9.523 21.042 6.175 1.00 0.00 N ATOM 0 H LYS A 115 9.890 20.781 0.254 1.00 0.00 H new ATOM 0 HA LYS A 115 12.153 21.704 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.914 21.292 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.072 19.579 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.733 19.574 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.296 19.841 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.165 21.474 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.842 22.357 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.246 22.993 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.417 22.243 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.857 21.510 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.019 20.319 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.282 20.591 6.726 1.00 0.00 H new ATOM 1713 N ALA A 116 12.161 18.523 0.778 1.00 0.00 N ATOM 1714 CA ALA A 116 13.025 17.365 0.585 1.00 0.00 C ATOM 1715 C ALA A 116 14.281 17.740 -0.194 1.00 0.00 C ATOM 1716 O ALA A 116 15.331 17.118 -0.034 1.00 0.00 O ATOM 1717 CB ALA A 116 12.268 16.256 -0.131 1.00 0.00 C ATOM 0 H ALA A 116 11.197 18.385 0.475 1.00 0.00 H new ATOM 0 HA ALA A 116 13.333 17.005 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.925 15.397 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.405 15.961 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.931 16.615 -1.104 1.00 0.00 H new ATOM 1723 N ALA A 117 14.165 18.759 -1.039 1.00 0.00 N ATOM 1724 CA ALA A 117 15.291 19.217 -1.842 1.00 0.00 C ATOM 1725 C ALA A 117 16.262 20.044 -1.006 1.00 0.00 C ATOM 1726 O ALA A 117 17.478 19.876 -1.102 1.00 0.00 O ATOM 1727 CB ALA A 117 14.797 20.025 -3.033 1.00 0.00 C ATOM 0 H ALA A 117 13.302 19.283 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 117 15.824 18.339 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.649 20.361 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.149 19.403 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.238 20.891 -2.678 1.00 0.00 H new ATOM 1733 N ILE A 118 15.717 20.938 -0.187 1.00 0.00 N ATOM 1734 CA ILE A 118 16.535 21.790 0.666 1.00 0.00 C ATOM 1735 C ILE A 118 17.356 20.960 1.647 1.00 0.00 C ATOM 1736 O ILE A 118 18.481 21.322 1.992 1.00 0.00 O ATOM 1737 CB ILE A 118 15.672 22.792 1.455 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.928 23.723 0.496 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.536 23.594 2.417 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.050 24.736 1.197 1.00 0.00 C ATOM 0 H ILE A 118 14.713 21.090 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 118 17.207 22.341 0.009 1.00 0.00 H new ATOM 0 HB ILE A 118 14.936 22.236 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.654 24.250 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.313 23.124 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.911 24.298 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.024 22.917 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.293 24.142 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.554 25.362 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.300 24.217 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.663 25.360 1.847 1.00 0.00 H new ATOM 1752 N ALA A 119 16.786 19.845 2.092 1.00 0.00 N ATOM 1753 CA ALA A 119 17.466 18.962 3.031 1.00 0.00 C ATOM 1754 C ALA A 119 18.619 18.226 2.356 1.00 0.00 C ATOM 1755 O ALA A 119 19.736 18.198 2.871 1.00 0.00 O ATOM 1756 CB ALA A 119 16.481 17.968 3.628 1.00 0.00 C ATOM 0 H ALA A 119 15.855 19.532 1.817 1.00 0.00 H new ATOM 0 HA ALA A 119 17.879 19.574 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.002 17.315 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.693 18.508 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.041 17.369 2.831 1.00 0.00 H new ATOM 1762 N ASP A 120 18.339 17.631 1.201 1.00 0.00 N ATOM 1763 CA ASP A 120 19.353 16.895 0.455 1.00 0.00 C ATOM 1764 C ASP A 120 20.583 17.763 0.208 1.00 0.00 C ATOM 1765 O ASP A 120 21.698 17.257 0.085 1.00 0.00 O ATOM 1766 CB ASP A 120 18.782 16.406 -0.877 1.00 0.00 C ATOM 1767 CG ASP A 120 19.122 14.955 -1.154 1.00 0.00 C ATOM 1768 OD1 ASP A 120 20.140 14.471 -0.617 1.00 0.00 O ATOM 1769 OD2 ASP A 120 18.370 14.303 -1.910 1.00 0.00 O ATOM 0 H ASP A 120 17.419 17.644 0.762 1.00 0.00 H new ATOM 0 HA ASP A 120 19.653 16.033 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.699 16.528 -0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.168 17.027 -1.685 1.00 0.00 H new ATOM 1774 N TYR A 121 20.371 19.072 0.134 1.00 0.00 N ATOM 1775 CA TYR A 121 21.461 20.011 -0.103 1.00 0.00 C ATOM 1776 C TYR A 121 22.382 20.093 1.110 1.00 0.00 C ATOM 1777 O TYR A 121 23.586 19.858 1.008 1.00 0.00 O ATOM 1778 CB TYR A 121 20.906 21.398 -0.431 1.00 0.00 C ATOM 1779 CG TYR A 121 21.964 22.477 -0.484 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.042 22.377 -1.355 1.00 0.00 C ATOM 1781 CD2 TYR A 121 21.887 23.595 0.337 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.011 23.360 -1.407 1.00 0.00 C ATOM 1783 CE2 TYR A 121 22.851 24.583 0.291 1.00 0.00 C ATOM 1784 CZ TYR A 121 23.911 24.461 -0.583 1.00 0.00 C ATOM 1785 OH TYR A 121 24.874 25.442 -0.631 1.00 0.00 O ATOM 0 H TYR A 121 19.454 19.507 0.235 1.00 0.00 H new ATOM 0 HA TYR A 121 22.040 19.649 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.393 21.357 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.161 21.668 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.124 21.516 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.059 23.693 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 121 24.843 23.267 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 121 22.775 25.446 0.936 1.00 0.00 H new ATOM 0 HH TYR A 121 24.654 26.148 0.012 1.00 0.00 H new ATOM 1795 N LYS A 122 21.807 20.428 2.260 1.00 0.00 N ATOM 1796 CA LYS A 122 22.573 20.541 3.496 1.00 0.00 C ATOM 1797 C LYS A 122 23.305 19.238 3.802 1.00 0.00 C ATOM 1798 O LYS A 122 24.320 19.235 4.498 1.00 0.00 O ATOM 1799 CB LYS A 122 21.650 20.905 4.661 1.00 0.00 C ATOM 1800 CG LYS A 122 20.736 22.083 4.368 1.00 0.00 C ATOM 1801 CD LYS A 122 20.126 22.645 5.641 1.00 0.00 C ATOM 1802 CE LYS A 122 18.848 21.911 6.017 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.123 20.719 6.865 1.00 0.00 N ATOM 0 H LYS A 122 20.812 20.626 2.362 1.00 0.00 H new ATOM 0 HA LYS A 122 23.312 21.332 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.041 20.038 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.257 21.136 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.300 22.864 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.942 21.769 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.845 22.566 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 122 19.912 23.705 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.182 22.590 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.328 21.600 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.605 19.899 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.143 20.517 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 18.813 20.907 7.840 1.00 0.00 H new ATOM 1817 N SER A 123 22.785 18.134 3.276 1.00 0.00 N ATOM 1818 CA SER A 123 23.389 16.825 3.496 1.00 0.00 C ATOM 1819 C SER A 123 24.535 16.585 2.518 1.00 0.00 C ATOM 1820 O SER A 123 25.424 15.772 2.772 1.00 0.00 O ATOM 1821 CB SER A 123 22.337 15.724 3.347 1.00 0.00 C ATOM 1822 OG SER A 123 21.575 15.583 4.534 1.00 0.00 O ATOM 0 H SER A 123 21.947 18.120 2.695 1.00 0.00 H new ATOM 0 HA SER A 123 23.789 16.801 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.676 15.959 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.826 14.779 3.110 1.00 0.00 H new ATOM 0 HG SER A 123 20.909 14.875 4.413 1.00 0.00 H new ATOM 1828 N LYS A 124 24.507 17.298 1.397 1.00 0.00 N ATOM 1829 CA LYS A 124 25.543 17.165 0.379 1.00 0.00 C ATOM 1830 C LYS A 124 26.780 17.975 0.753 1.00 0.00 C ATOM 1831 O LYS A 124 27.881 17.699 0.278 1.00 0.00 O ATOM 1832 CB LYS A 124 25.012 17.623 -0.981 1.00 0.00 C ATOM 1833 CG LYS A 124 24.975 16.519 -2.023 1.00 0.00 C ATOM 1834 CD LYS A 124 23.658 15.761 -1.987 1.00 0.00 C ATOM 1835 CE LYS A 124 23.838 14.311 -2.409 1.00 0.00 C ATOM 1836 NZ LYS A 124 22.859 13.412 -1.737 1.00 0.00 N ATOM 0 H LYS A 124 23.778 17.974 1.170 1.00 0.00 H new ATOM 0 HA LYS A 124 25.824 16.114 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.006 18.024 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 124 25.635 18.438 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.122 16.948 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 124 25.799 15.827 -1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.242 15.799 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.939 16.247 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.723 14.230 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.851 13.987 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 22.557 12.670 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 23.304 12.973 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 22.031 13.964 -1.435 1.00 0.00 H new ATOM 1850 N ARG A 125 26.590 18.976 1.607 1.00 0.00 N ATOM 1851 CA ARG A 125 27.691 19.826 2.045 1.00 0.00 C ATOM 1852 C ARG A 125 28.076 19.516 3.488 1.00 0.00 C ATOM 1853 O ARG A 125 29.105 19.981 3.979 1.00 0.00 O ATOM 1854 CB ARG A 125 27.308 21.301 1.913 1.00 0.00 C ATOM 1855 CG ARG A 125 26.236 21.742 2.896 1.00 0.00 C ATOM 1856 CD ARG A 125 26.741 22.845 3.812 1.00 0.00 C ATOM 1857 NE ARG A 125 25.654 23.686 4.307 1.00 0.00 N ATOM 1858 CZ ARG A 125 24.858 23.341 5.313 1.00 0.00 C ATOM 1859 NH1 ARG A 125 25.026 22.178 5.928 1.00 0.00 N ATOM 1860 NH2 ARG A 125 23.890 24.160 5.706 1.00 0.00 N ATOM 0 H ARG A 125 25.684 19.218 2.009 1.00 0.00 H new ATOM 0 HA ARG A 125 28.551 19.623 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.198 21.913 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 125 26.957 21.487 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.361 22.094 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.916 20.889 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.269 22.402 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.461 23.462 3.274 1.00 0.00 H new ATOM 0 HE ARG A 125 25.498 24.587 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 125 25.768 21.545 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 125 24.413 21.916 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.757 25.055 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.279 23.894 6.479 1.00 0.00 H new