USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 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 106 CYS SG : rot -64:sc= -1.27 USER MOD Set 1.2: A 107 SER OG : rot 150:sc= -0.715 USER MOD Set 2.1: A 44 GLN : amide:sc= -0.744 K(o=-0.74,f=-1.7) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 CYS SG : rot -120:sc= -0.703 USER MOD Set 3.2: A 105 HIS : no HD1:sc= -0.332 X(o=-1,f=-0.54) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.164 F(o=-1.4,f=-0.16) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 178:sc= 0 (180deg=-0.00523) USER MOD Single : A 41 MET CE :methyl -171:sc= 0 (180deg=-0.0805) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.134 (180deg=-0.317) USER MOD Single : A 48 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4.7!) USER MOD Single : A 69 SER OG : rot 170:sc= 0.0555 USER MOD Single : A 70 SER OG : rot 180:sc= -0.182 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -88:sc=-0.00838 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= -0.0263 (180deg=-0.0449) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 86 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.066) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= -0.0843 (180deg=-0.431) USER MOD Single : A 90 ASN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 164:sc= -0.0619 (180deg=-0.775) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 26.134 20.160 -5.310 1.00 0.00 N ATOM 385 CA ASN A 26 25.432 21.355 -4.857 1.00 0.00 C ATOM 386 C ASN A 26 23.982 21.346 -5.331 1.00 0.00 C ATOM 387 O ASN A 26 23.359 22.398 -5.477 1.00 0.00 O ATOM 388 CB ASN A 26 26.140 22.612 -5.367 1.00 0.00 C ATOM 389 CG ASN A 26 26.781 22.403 -6.725 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.978 21.997 -7.702 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.984 22.605 -6.894 1.00 0.00 N flip ATOM 0 HA ASN A 26 25.439 21.360 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.422 23.430 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.904 22.912 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 26 28.563 22.917 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 26 28.401 22.461 -7.814 1.00 0.00 H new ATOM 398 N VAL A 27 23.450 20.152 -5.570 1.00 0.00 N ATOM 399 CA VAL A 27 22.073 20.005 -6.026 1.00 0.00 C ATOM 400 C VAL A 27 21.231 19.255 -5.000 1.00 0.00 C ATOM 401 O VAL A 27 21.663 18.245 -4.446 1.00 0.00 O ATOM 402 CB VAL A 27 22.004 19.262 -7.373 1.00 0.00 C ATOM 403 CG1 VAL A 27 22.493 17.830 -7.218 1.00 0.00 C ATOM 404 CG2 VAL A 27 20.587 19.292 -7.926 1.00 0.00 C ATOM 0 H VAL A 27 23.952 19.272 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 27 21.673 21.011 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 27 22.658 19.770 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.437 17.320 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.526 17.834 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.867 17.308 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.557 18.762 -8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.911 18.809 -7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.277 20.326 -8.076 1.00 0.00 H new ATOM 414 N GLY A 28 20.025 19.757 -4.752 1.00 0.00 N ATOM 415 CA GLY A 28 19.140 19.121 -3.793 1.00 0.00 C ATOM 416 C GLY A 28 17.946 18.463 -4.453 1.00 0.00 C ATOM 417 O GLY A 28 17.266 19.076 -5.276 1.00 0.00 O ATOM 0 H GLY A 28 19.645 20.592 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.698 18.373 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.791 19.865 -3.077 1.00 0.00 H new ATOM 421 N SER A 29 17.690 17.209 -4.094 1.00 0.00 N ATOM 422 CA SER A 29 16.572 16.464 -4.663 1.00 0.00 C ATOM 423 C SER A 29 15.464 16.276 -3.631 1.00 0.00 C ATOM 424 O SER A 29 15.721 15.890 -2.491 1.00 0.00 O ATOM 425 CB SER A 29 17.046 15.102 -5.173 1.00 0.00 C ATOM 426 OG SER A 29 18.244 15.226 -5.920 1.00 0.00 O ATOM 0 H SER A 29 18.241 16.688 -3.412 1.00 0.00 H new ATOM 0 HA SER A 29 16.173 17.038 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.207 14.430 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.271 14.653 -5.794 1.00 0.00 H new ATOM 0 HG SER A 29 18.527 14.342 -6.233 1.00 0.00 H new ATOM 432 N GLY A 30 14.229 16.551 -4.040 1.00 0.00 N ATOM 433 CA GLY A 30 13.100 16.407 -3.141 1.00 0.00 C ATOM 434 C GLY A 30 11.987 15.569 -3.737 1.00 0.00 C ATOM 435 O GLY A 30 11.360 15.966 -4.719 1.00 0.00 O ATOM 0 H GLY A 30 13.991 16.871 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.437 15.950 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.712 17.394 -2.889 1.00 0.00 H new ATOM 439 N MET A 31 11.742 14.405 -3.144 1.00 0.00 N ATOM 440 CA MET A 31 10.697 13.508 -3.625 1.00 0.00 C ATOM 441 C MET A 31 9.694 13.199 -2.517 1.00 0.00 C ATOM 442 O MET A 31 10.069 12.738 -1.438 1.00 0.00 O ATOM 443 CB MET A 31 11.311 12.209 -4.150 1.00 0.00 C ATOM 444 CG MET A 31 10.282 11.212 -4.658 1.00 0.00 C ATOM 445 SD MET A 31 10.417 9.604 -3.853 1.00 0.00 S ATOM 446 CE MET A 31 8.955 9.620 -2.818 1.00 0.00 C ATOM 0 H MET A 31 12.252 14.061 -2.331 1.00 0.00 H new ATOM 0 HA MET A 31 10.171 14.007 -4.439 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.005 12.445 -4.957 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.893 11.744 -3.354 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.282 11.613 -4.495 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.403 11.087 -5.734 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.879 8.674 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.025 10.439 -2.102 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.070 9.757 -3.440 1.00 0.00 H new ATOM 456 N VAL A 32 8.419 13.456 -2.790 1.00 0.00 N ATOM 457 CA VAL A 32 7.363 13.204 -1.817 1.00 0.00 C ATOM 458 C VAL A 32 6.172 12.508 -2.466 1.00 0.00 C ATOM 459 O VAL A 32 5.899 12.697 -3.651 1.00 0.00 O ATOM 460 CB VAL A 32 6.883 14.511 -1.159 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.037 15.210 -0.455 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.247 15.427 -2.194 1.00 0.00 C ATOM 0 H VAL A 32 8.092 13.839 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 32 7.787 12.554 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 32 6.128 14.265 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.679 16.131 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.443 14.555 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.817 15.445 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.914 16.346 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.978 15.667 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.393 14.925 -2.648 1.00 0.00 H new ATOM 472 N GLY A 33 5.464 11.702 -1.680 1.00 0.00 N ATOM 473 CA GLY A 33 4.310 10.989 -2.196 1.00 0.00 C ATOM 474 C GLY A 33 3.408 10.472 -1.093 1.00 0.00 C ATOM 475 O GLY A 33 3.533 10.878 0.062 1.00 0.00 O ATOM 0 H GLY A 33 5.669 11.530 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.739 11.651 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.647 10.152 -2.808 1.00 0.00 H new ATOM 479 N ALA A 34 2.494 9.575 -1.450 1.00 0.00 N ATOM 480 CA ALA A 34 1.568 9.002 -0.482 1.00 0.00 C ATOM 481 C ALA A 34 0.984 7.689 -0.991 1.00 0.00 C ATOM 482 O ALA A 34 0.742 7.511 -2.185 1.00 0.00 O ATOM 483 CB ALA A 34 0.454 9.990 -0.168 1.00 0.00 C ATOM 0 H ALA A 34 2.376 9.230 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 34 2.122 8.793 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.230 9.549 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.883 10.902 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.090 10.228 -1.082 1.00 0.00 H new ATOM 489 N PRO A 35 0.753 6.744 -0.067 1.00 0.00 N ATOM 490 CA PRO A 35 0.195 5.430 -0.400 1.00 0.00 C ATOM 491 C PRO A 35 -1.267 5.512 -0.824 1.00 0.00 C ATOM 492 O PRO A 35 -1.658 4.957 -1.850 1.00 0.00 O ATOM 493 CB PRO A 35 0.330 4.646 0.908 1.00 0.00 C ATOM 494 CG PRO A 35 0.341 5.686 1.974 1.00 0.00 C ATOM 495 CD PRO A 35 1.018 6.887 1.374 1.00 0.00 C ATOM 0 HA PRO A 35 0.710 4.970 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.500 3.952 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.246 4.055 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.673 5.928 2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.878 5.335 2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.608 7.817 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.087 6.894 1.587 1.00 0.00 H new ATOM 503 N ALA A 36 -2.072 6.208 -0.027 1.00 0.00 N ATOM 504 CA ALA A 36 -3.491 6.364 -0.321 1.00 0.00 C ATOM 505 C ALA A 36 -3.707 7.315 -1.493 1.00 0.00 C ATOM 506 O ALA A 36 -4.724 7.244 -2.183 1.00 0.00 O ATOM 507 CB ALA A 36 -4.233 6.862 0.910 1.00 0.00 C ATOM 0 H ALA A 36 -1.765 6.673 0.827 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.889 5.389 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.292 6.974 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.115 6.144 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.825 7.825 1.216 1.00 0.00 H new ATOM 513 N CYS A 37 -2.745 8.205 -1.711 1.00 0.00 N ATOM 514 CA CYS A 37 -2.831 9.173 -2.799 1.00 0.00 C ATOM 515 C CYS A 37 -2.330 8.567 -4.106 1.00 0.00 C ATOM 516 O CYS A 37 -2.718 8.998 -5.191 1.00 0.00 O ATOM 517 CB CYS A 37 -2.023 10.426 -2.460 1.00 0.00 C ATOM 518 SG CYS A 37 -2.582 11.284 -0.970 1.00 0.00 S ATOM 0 H CYS A 37 -1.897 8.276 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.878 9.449 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.977 10.148 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.071 11.115 -3.303 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.937 12.497 -1.275 1.00 0.00 H new ATOM 524 N GLY A 38 -1.462 7.566 -3.994 1.00 0.00 N ATOM 525 CA GLY A 38 -0.919 6.919 -5.174 1.00 0.00 C ATOM 526 C GLY A 38 -0.346 7.911 -6.167 1.00 0.00 C ATOM 527 O GLY A 38 -0.804 7.994 -7.307 1.00 0.00 O ATOM 0 H GLY A 38 -1.125 7.192 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.140 6.218 -4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.703 6.336 -5.658 1.00 0.00 H new ATOM 531 N ALA A 39 0.658 8.667 -5.734 1.00 0.00 N ATOM 532 CA ALA A 39 1.294 9.657 -6.593 1.00 0.00 C ATOM 533 C ALA A 39 2.732 9.918 -6.158 1.00 0.00 C ATOM 534 O ALA A 39 3.122 9.591 -5.037 1.00 0.00 O ATOM 535 CB ALA A 39 0.496 10.952 -6.587 1.00 0.00 C ATOM 0 H ALA A 39 1.048 8.612 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 39 1.315 9.261 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.983 11.682 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.513 10.760 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.445 11.343 -5.571 1.00 0.00 H new ATOM 541 N VAL A 40 3.519 10.508 -7.053 1.00 0.00 N ATOM 542 CA VAL A 40 4.914 10.813 -6.761 1.00 0.00 C ATOM 543 C VAL A 40 5.341 12.120 -7.422 1.00 0.00 C ATOM 544 O VAL A 40 5.053 12.357 -8.595 1.00 0.00 O ATOM 545 CB VAL A 40 5.847 9.683 -7.235 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.266 9.919 -6.742 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.328 8.332 -6.765 1.00 0.00 C ATOM 0 H VAL A 40 3.213 10.784 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 40 4.996 10.912 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 40 5.863 9.682 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.910 9.110 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.634 10.868 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.272 9.948 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.999 7.545 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.281 8.319 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.332 8.163 -7.173 1.00 0.00 H new ATOM 557 N MET A 41 6.029 12.964 -6.661 1.00 0.00 N ATOM 558 CA MET A 41 6.497 14.246 -7.173 1.00 0.00 C ATOM 559 C MET A 41 8.008 14.378 -7.009 1.00 0.00 C ATOM 560 O MET A 41 8.509 14.572 -5.901 1.00 0.00 O ATOM 561 CB MET A 41 5.792 15.396 -6.451 1.00 0.00 C ATOM 562 CG MET A 41 4.289 15.424 -6.676 1.00 0.00 C ATOM 563 SD MET A 41 3.783 16.714 -7.829 1.00 0.00 S ATOM 564 CE MET A 41 3.425 18.057 -6.699 1.00 0.00 C ATOM 0 H MET A 41 6.275 12.783 -5.688 1.00 0.00 H new ATOM 0 HA MET A 41 6.259 14.293 -8.236 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.990 15.319 -5.382 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.219 16.341 -6.787 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.964 14.455 -7.056 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.785 15.577 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.949 18.873 -7.243 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.755 17.704 -5.915 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.353 18.413 -6.251 1.00 0.00 H new ATOM 574 N LYS A 42 8.730 14.272 -8.120 1.00 0.00 N ATOM 575 CA LYS A 42 10.184 14.381 -8.100 1.00 0.00 C ATOM 576 C LYS A 42 10.632 15.773 -8.534 1.00 0.00 C ATOM 577 O LYS A 42 10.332 16.215 -9.644 1.00 0.00 O ATOM 578 CB LYS A 42 10.807 13.325 -9.016 1.00 0.00 C ATOM 579 CG LYS A 42 10.370 11.906 -8.695 1.00 0.00 C ATOM 580 CD LYS A 42 11.448 10.897 -9.049 1.00 0.00 C ATOM 581 CE LYS A 42 12.552 10.870 -8.002 1.00 0.00 C ATOM 582 NZ LYS A 42 13.144 9.512 -7.855 1.00 0.00 N ATOM 0 H LYS A 42 8.332 14.111 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 42 10.522 14.212 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.544 13.552 -10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.893 13.387 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.133 11.829 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.458 11.672 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.005 9.905 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.874 11.144 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.333 11.578 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.151 11.197 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.892 9.536 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.405 8.840 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.550 9.210 -8.764 1.00 0.00 H new ATOM 596 N LEU A 43 11.352 16.459 -7.653 1.00 0.00 N ATOM 597 CA LEU A 43 11.843 17.801 -7.945 1.00 0.00 C ATOM 598 C LEU A 43 13.299 17.954 -7.518 1.00 0.00 C ATOM 599 O LEU A 43 13.799 17.183 -6.700 1.00 0.00 O ATOM 600 CB LEU A 43 10.979 18.847 -7.237 1.00 0.00 C ATOM 601 CG LEU A 43 9.929 19.547 -8.101 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.681 18.686 -8.226 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.583 20.910 -7.520 1.00 0.00 C ATOM 0 H LEU A 43 11.609 16.108 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 43 11.782 17.957 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.471 18.364 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.637 19.606 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 43 10.345 19.694 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.945 19.200 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.941 17.733 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.262 18.507 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.835 21.394 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.186 20.786 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.480 21.528 -7.483 1.00 0.00 H new ATOM 615 N GLN A 44 13.972 18.955 -8.076 1.00 0.00 N ATOM 616 CA GLN A 44 15.371 19.209 -7.750 1.00 0.00 C ATOM 617 C GLN A 44 15.669 20.705 -7.760 1.00 0.00 C ATOM 618 O GLN A 44 15.018 21.472 -8.470 1.00 0.00 O ATOM 619 CB GLN A 44 16.286 18.488 -8.742 1.00 0.00 C ATOM 620 CG GLN A 44 15.813 18.579 -10.184 1.00 0.00 C ATOM 621 CD GLN A 44 15.225 17.276 -10.688 1.00 0.00 C ATOM 622 OE1 GLN A 44 14.740 16.457 -9.907 1.00 0.00 O ATOM 623 NE2 GLN A 44 15.265 17.077 -12.001 1.00 0.00 N ATOM 0 H GLN A 44 13.572 19.603 -8.755 1.00 0.00 H new ATOM 0 HA GLN A 44 15.560 18.826 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 44 17.289 18.909 -8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.360 17.438 -8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.065 19.367 -10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.651 18.865 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.676 17.783 -12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.884 16.218 -12.399 1.00 0.00 H new ATOM 632 N ILE A 45 16.655 21.111 -6.968 1.00 0.00 N ATOM 633 CA ILE A 45 17.039 22.515 -6.886 1.00 0.00 C ATOM 634 C ILE A 45 18.553 22.677 -6.970 1.00 0.00 C ATOM 635 O ILE A 45 19.296 21.696 -6.928 1.00 0.00 O ATOM 636 CB ILE A 45 16.536 23.161 -5.582 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.305 22.604 -4.382 1.00 0.00 C ATOM 638 CG2 ILE A 45 15.042 22.927 -5.416 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.836 23.157 -3.054 1.00 0.00 C ATOM 0 H ILE A 45 17.203 20.488 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 45 16.575 23.019 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 45 16.711 24.236 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.206 21.519 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.365 22.826 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.702 23.390 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.509 23.367 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.843 21.856 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.425 22.718 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.960 24.240 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.784 22.912 -2.909 1.00 0.00 H new ATOM 651 N LYS A 46 19.004 23.921 -7.087 1.00 0.00 N ATOM 652 CA LYS A 46 20.430 24.214 -7.173 1.00 0.00 C ATOM 653 C LYS A 46 20.787 25.434 -6.331 1.00 0.00 C ATOM 654 O LYS A 46 20.320 26.542 -6.596 1.00 0.00 O ATOM 655 CB LYS A 46 20.835 24.449 -8.630 1.00 0.00 C ATOM 656 CG LYS A 46 22.308 24.778 -8.805 1.00 0.00 C ATOM 657 CD LYS A 46 23.191 23.597 -8.440 1.00 0.00 C ATOM 658 CE LYS A 46 23.711 22.885 -9.679 1.00 0.00 C ATOM 659 NZ LYS A 46 22.615 22.561 -10.634 1.00 0.00 N ATOM 0 H LYS A 46 18.402 24.744 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 46 20.977 23.355 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.598 23.559 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.238 25.265 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.496 25.068 -9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.567 25.634 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.032 23.942 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.626 22.895 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.451 23.513 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.219 21.967 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.974 21.919 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.834 22.101 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.271 23.437 -11.077 1.00 0.00 H new ATOM 673 N VAL A 47 21.618 25.224 -5.316 1.00 0.00 N ATOM 674 CA VAL A 47 22.040 26.308 -4.436 1.00 0.00 C ATOM 675 C VAL A 47 23.444 26.786 -4.788 1.00 0.00 C ATOM 676 O VAL A 47 24.303 25.994 -5.173 1.00 0.00 O ATOM 677 CB VAL A 47 22.012 25.875 -2.958 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.081 27.089 -2.045 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.768 25.050 -2.669 1.00 0.00 C ATOM 0 H VAL A 47 22.013 24.313 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 47 21.334 27.126 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 47 22.886 25.253 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.060 26.764 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.005 27.636 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.228 27.739 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.764 24.752 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.880 25.645 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.767 24.160 -3.299 1.00 0.00 H new ATOM 689 N ASN A 48 23.671 28.089 -4.653 1.00 0.00 N ATOM 690 CA ASN A 48 24.972 28.674 -4.956 1.00 0.00 C ATOM 691 C ASN A 48 25.758 28.945 -3.677 1.00 0.00 C ATOM 692 O ASN A 48 25.294 28.648 -2.576 1.00 0.00 O ATOM 693 CB ASN A 48 24.799 29.972 -5.747 1.00 0.00 C ATOM 694 CG ASN A 48 23.580 30.759 -5.306 1.00 0.00 C ATOM 695 OD1 ASN A 48 22.600 30.872 -6.042 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.636 31.310 -4.099 1.00 0.00 N ATOM 0 H ASN A 48 22.971 28.759 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 48 25.532 27.960 -5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.690 30.589 -5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.713 29.739 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.846 31.852 -3.749 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.469 31.191 -3.522 1.00 0.00 H new ATOM 703 N ASP A 49 26.950 29.512 -3.831 1.00 0.00 N ATOM 704 CA ASP A 49 27.801 29.826 -2.689 1.00 0.00 C ATOM 705 C ASP A 49 27.052 30.683 -1.673 1.00 0.00 C ATOM 706 O ASP A 49 27.181 30.485 -0.466 1.00 0.00 O ATOM 707 CB ASP A 49 29.066 30.549 -3.152 1.00 0.00 C ATOM 708 CG ASP A 49 30.190 29.590 -3.492 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.318 28.557 -2.801 1.00 0.00 O ATOM 710 OD2 ASP A 49 30.941 29.872 -4.448 1.00 0.00 O ATOM 0 H ASP A 49 27.349 29.763 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 49 28.083 28.889 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.834 31.157 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.398 31.231 -2.369 1.00 0.00 H new ATOM 715 N GLU A 50 26.271 31.636 -2.172 1.00 0.00 N ATOM 716 CA GLU A 50 25.504 32.524 -1.307 1.00 0.00 C ATOM 717 C GLU A 50 24.479 31.740 -0.492 1.00 0.00 C ATOM 718 O GLU A 50 24.002 32.207 0.541 1.00 0.00 O ATOM 719 CB GLU A 50 24.797 33.597 -2.138 1.00 0.00 C ATOM 720 CG GLU A 50 24.867 34.986 -1.525 1.00 0.00 C ATOM 721 CD GLU A 50 24.550 34.986 -0.043 1.00 0.00 C ATOM 722 OE1 GLU A 50 25.467 34.718 0.761 1.00 0.00 O ATOM 723 OE2 GLU A 50 23.383 35.255 0.314 1.00 0.00 O ATOM 0 H GLU A 50 26.153 31.813 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 50 26.198 33.006 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.241 33.625 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.751 33.317 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.865 35.397 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.168 35.643 -2.042 1.00 0.00 H new ATOM 730 N GLY A 51 24.146 30.543 -0.967 1.00 0.00 N ATOM 731 CA GLY A 51 23.180 29.712 -0.272 1.00 0.00 C ATOM 732 C GLY A 51 21.753 30.007 -0.692 1.00 0.00 C ATOM 733 O GLY A 51 20.822 29.848 0.097 1.00 0.00 O ATOM 0 H GLY A 51 24.528 30.134 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.403 28.663 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.279 29.867 0.802 1.00 0.00 H new ATOM 737 N ILE A 52 21.582 30.439 -1.937 1.00 0.00 N ATOM 738 CA ILE A 52 20.259 30.757 -2.459 1.00 0.00 C ATOM 739 C ILE A 52 19.954 29.947 -3.714 1.00 0.00 C ATOM 740 O ILE A 52 20.830 29.727 -4.551 1.00 0.00 O ATOM 741 CB ILE A 52 20.128 32.257 -2.785 1.00 0.00 C ATOM 742 CG1 ILE A 52 19.995 33.071 -1.497 1.00 0.00 C ATOM 743 CG2 ILE A 52 18.934 32.498 -3.697 1.00 0.00 C ATOM 744 CD1 ILE A 52 21.296 33.220 -0.739 1.00 0.00 C ATOM 0 H ILE A 52 22.343 30.577 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 52 19.542 30.499 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 52 21.029 32.581 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.610 34.061 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 52 19.259 32.594 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 52 18.854 33.562 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.068 31.943 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.024 32.162 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.126 33.808 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.672 32.234 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.028 33.725 -1.369 1.00 0.00 H new ATOM 756 N ILE A 53 18.707 29.507 -3.839 1.00 0.00 N ATOM 757 CA ILE A 53 18.286 28.723 -4.994 1.00 0.00 C ATOM 758 C ILE A 53 18.408 29.532 -6.281 1.00 0.00 C ATOM 759 O ILE A 53 17.777 30.577 -6.431 1.00 0.00 O ATOM 760 CB ILE A 53 16.832 28.236 -4.844 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.686 27.379 -3.584 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.407 27.452 -6.076 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.642 26.208 -3.536 1.00 0.00 C ATOM 0 H ILE A 53 17.970 29.680 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 53 18.947 27.858 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 53 16.181 29.105 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.848 28.006 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.664 27.006 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.378 27.114 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.479 28.091 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.060 26.588 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.482 25.645 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.466 25.559 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.668 26.575 -3.563 1.00 0.00 H new ATOM 775 N GLU A 54 19.225 29.039 -7.207 1.00 0.00 N ATOM 776 CA GLU A 54 19.429 29.716 -8.483 1.00 0.00 C ATOM 777 C GLU A 54 18.766 28.945 -9.620 1.00 0.00 C ATOM 778 O GLU A 54 18.375 29.525 -10.633 1.00 0.00 O ATOM 779 CB GLU A 54 20.924 29.878 -8.765 1.00 0.00 C ATOM 780 CG GLU A 54 21.606 28.590 -9.193 1.00 0.00 C ATOM 781 CD GLU A 54 21.703 28.453 -10.700 1.00 0.00 C ATOM 782 OE1 GLU A 54 20.972 29.175 -11.410 1.00 0.00 O ATOM 783 OE2 GLU A 54 22.511 27.624 -11.170 1.00 0.00 O ATOM 0 H GLU A 54 19.756 28.175 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 54 18.969 30.702 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.059 30.627 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.415 30.259 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.607 28.554 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.055 27.740 -8.790 1.00 0.00 H new ATOM 790 N ASP A 55 18.644 27.633 -9.446 1.00 0.00 N ATOM 791 CA ASP A 55 18.029 26.782 -10.457 1.00 0.00 C ATOM 792 C ASP A 55 17.047 25.803 -9.819 1.00 0.00 C ATOM 793 O ASP A 55 17.284 25.299 -8.722 1.00 0.00 O ATOM 794 CB ASP A 55 19.102 26.015 -11.231 1.00 0.00 C ATOM 795 CG ASP A 55 19.143 26.397 -12.697 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.235 25.979 -13.445 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.084 27.115 -13.097 1.00 0.00 O ATOM 0 H ASP A 55 18.963 27.136 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 55 17.480 27.421 -11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.076 26.206 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.914 24.945 -11.143 1.00 0.00 H new ATOM 802 N ALA A 56 15.945 25.541 -10.513 1.00 0.00 N ATOM 803 CA ALA A 56 14.928 24.623 -10.015 1.00 0.00 C ATOM 804 C ALA A 56 14.402 23.728 -11.132 1.00 0.00 C ATOM 805 O ALA A 56 13.768 24.204 -12.074 1.00 0.00 O ATOM 806 CB ALA A 56 13.786 25.398 -9.374 1.00 0.00 C ATOM 0 H ALA A 56 15.733 25.952 -11.422 1.00 0.00 H new ATOM 0 HA ALA A 56 15.388 23.985 -9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.034 24.700 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.169 25.989 -8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.336 26.061 -10.113 1.00 0.00 H new ATOM 812 N ARG A 57 14.669 22.431 -11.020 1.00 0.00 N ATOM 813 CA ARG A 57 14.223 21.471 -12.022 1.00 0.00 C ATOM 814 C ARG A 57 13.183 20.519 -11.438 1.00 0.00 C ATOM 815 O ARG A 57 13.025 20.427 -10.221 1.00 0.00 O ATOM 816 CB ARG A 57 15.413 20.675 -12.561 1.00 0.00 C ATOM 817 CG ARG A 57 15.919 21.170 -13.906 1.00 0.00 C ATOM 818 CD ARG A 57 14.855 21.040 -14.984 1.00 0.00 C ATOM 819 NE ARG A 57 14.609 22.307 -15.667 1.00 0.00 N ATOM 820 CZ ARG A 57 13.501 22.571 -16.350 1.00 0.00 C ATOM 821 NH1 ARG A 57 12.540 21.662 -16.439 1.00 0.00 N ATOM 822 NH2 ARG A 57 13.351 23.748 -16.944 1.00 0.00 N ATOM 0 H ARG A 57 15.192 22.021 -10.246 1.00 0.00 H new ATOM 0 HA ARG A 57 13.764 22.025 -12.841 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.227 20.720 -11.837 1.00 0.00 H new ATOM 0 HB3 ARG A 57 15.126 19.627 -12.654 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.225 22.213 -13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.803 20.601 -14.195 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.166 20.291 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.927 20.684 -14.536 1.00 0.00 H new ATOM 0 HE ARG A 57 15.328 23.029 -15.617 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.650 20.757 -15.982 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.690 21.868 -16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.087 24.451 -16.876 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.500 23.950 -17.468 1.00 0.00 H new ATOM 836 N PHE A 58 12.476 19.813 -12.315 1.00 0.00 N ATOM 837 CA PHE A 58 11.450 18.869 -11.886 1.00 0.00 C ATOM 838 C PHE A 58 11.284 17.747 -12.907 1.00 0.00 C ATOM 839 O PHE A 58 11.872 17.783 -13.988 1.00 0.00 O ATOM 840 CB PHE A 58 10.117 19.591 -11.683 1.00 0.00 C ATOM 841 CG PHE A 58 9.466 20.023 -12.966 1.00 0.00 C ATOM 842 CD1 PHE A 58 9.792 21.237 -13.549 1.00 0.00 C ATOM 843 CD2 PHE A 58 8.530 19.214 -13.590 1.00 0.00 C ATOM 844 CE1 PHE A 58 9.195 21.636 -14.729 1.00 0.00 C ATOM 845 CE2 PHE A 58 7.929 19.609 -14.771 1.00 0.00 C ATOM 846 CZ PHE A 58 8.263 20.821 -15.342 1.00 0.00 C ATOM 0 H PHE A 58 12.595 19.877 -13.326 1.00 0.00 H new ATOM 0 HA PHE A 58 11.766 18.431 -10.939 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.436 18.933 -11.143 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.280 20.467 -11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.521 21.878 -13.076 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.267 18.264 -13.149 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.457 22.585 -15.172 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.199 18.970 -15.246 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.797 21.131 -16.266 1.00 0.00 H new ATOM 856 N LYS A 59 10.478 16.751 -12.555 1.00 0.00 N ATOM 857 CA LYS A 59 10.232 15.617 -13.438 1.00 0.00 C ATOM 858 C LYS A 59 8.747 15.272 -13.479 1.00 0.00 C ATOM 859 O LYS A 59 8.052 15.351 -12.465 1.00 0.00 O ATOM 860 CB LYS A 59 11.037 14.400 -12.977 1.00 0.00 C ATOM 861 CG LYS A 59 12.438 14.342 -13.560 1.00 0.00 C ATOM 862 CD LYS A 59 13.227 13.171 -12.998 1.00 0.00 C ATOM 863 CE LYS A 59 14.725 13.432 -13.051 1.00 0.00 C ATOM 864 NZ LYS A 59 15.373 13.216 -11.728 1.00 0.00 N ATOM 0 H LYS A 59 9.984 16.706 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 59 10.550 15.895 -14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.105 14.411 -11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.499 13.493 -13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.378 14.255 -14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.962 15.273 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.925 12.988 -11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.993 12.269 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.182 12.775 -13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.904 14.456 -13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.393 13.404 -11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.955 13.861 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.225 12.232 -11.425 1.00 0.00 H new ATOM 978 N ALA A 68 -0.552 22.305 -11.709 1.00 0.00 N ATOM 979 CA ALA A 68 -0.100 23.679 -11.530 1.00 0.00 C ATOM 980 C ALA A 68 0.657 23.840 -10.216 1.00 0.00 C ATOM 981 O ALA A 68 1.493 24.733 -10.075 1.00 0.00 O ATOM 982 CB ALA A 68 -1.282 24.635 -11.581 1.00 0.00 C ATOM 0 HA ALA A 68 0.583 23.920 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.929 25.657 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.779 24.547 -12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.986 24.386 -10.787 1.00 0.00 H new ATOM 988 N SER A 69 0.358 22.972 -9.255 1.00 0.00 N ATOM 989 CA SER A 69 1.007 23.021 -7.950 1.00 0.00 C ATOM 990 C SER A 69 2.517 22.860 -8.088 1.00 0.00 C ATOM 991 O SER A 69 3.288 23.684 -7.595 1.00 0.00 O ATOM 992 CB SER A 69 0.447 21.928 -7.037 1.00 0.00 C ATOM 993 OG SER A 69 -0.831 21.502 -7.475 1.00 0.00 O ATOM 0 H SER A 69 -0.330 22.226 -9.356 1.00 0.00 H new ATOM 0 HA SER A 69 0.802 23.995 -7.506 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.130 21.079 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.378 22.303 -6.016 1.00 0.00 H new ATOM 0 HG SER A 69 -1.096 20.700 -6.979 1.00 0.00 H new ATOM 999 N SER A 70 2.933 21.794 -8.764 1.00 0.00 N ATOM 1000 CA SER A 70 4.352 21.521 -8.964 1.00 0.00 C ATOM 1001 C SER A 70 5.029 22.678 -9.693 1.00 0.00 C ATOM 1002 O SER A 70 6.057 23.189 -9.248 1.00 0.00 O ATOM 1003 CB SER A 70 4.537 20.226 -9.758 1.00 0.00 C ATOM 1004 OG SER A 70 5.911 19.938 -9.949 1.00 0.00 O ATOM 0 H SER A 70 2.308 21.105 -9.183 1.00 0.00 H new ATOM 0 HA SER A 70 4.817 21.408 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.059 19.401 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.043 20.315 -10.725 1.00 0.00 H new ATOM 0 HG SER A 70 6.003 19.105 -10.457 1.00 0.00 H new ATOM 1010 N SER A 71 4.445 23.086 -10.815 1.00 0.00 N ATOM 1011 CA SER A 71 4.993 24.180 -11.608 1.00 0.00 C ATOM 1012 C SER A 71 4.975 25.485 -10.819 1.00 0.00 C ATOM 1013 O SER A 71 5.748 26.404 -11.097 1.00 0.00 O ATOM 1014 CB SER A 71 4.200 24.344 -12.906 1.00 0.00 C ATOM 1015 OG SER A 71 4.994 24.020 -14.034 1.00 0.00 O ATOM 0 H SER A 71 3.592 22.675 -11.195 1.00 0.00 H new ATOM 0 HA SER A 71 6.027 23.937 -11.851 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.319 23.702 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.844 25.371 -12.991 1.00 0.00 H new ATOM 0 HG SER A 71 4.463 24.131 -14.850 1.00 0.00 H new ATOM 1021 N LEU A 72 4.088 25.561 -9.833 1.00 0.00 N ATOM 1022 CA LEU A 72 3.968 26.754 -9.002 1.00 0.00 C ATOM 1023 C LEU A 72 5.052 26.781 -7.929 1.00 0.00 C ATOM 1024 O LEU A 72 5.750 27.782 -7.762 1.00 0.00 O ATOM 1025 CB LEU A 72 2.586 26.806 -8.348 1.00 0.00 C ATOM 1026 CG LEU A 72 2.391 27.880 -7.277 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.259 29.254 -7.917 1.00 0.00 C ATOM 1028 CD2 LEU A 72 1.170 27.568 -6.425 1.00 0.00 C ATOM 0 H LEU A 72 3.441 24.811 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 72 4.094 27.627 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.842 26.961 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.381 25.833 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 72 3.269 27.885 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.121 30.006 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.162 29.480 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.399 29.262 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.047 28.343 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.283 27.535 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.304 26.602 -5.937 1.00 0.00 H new ATOM 1040 N VAL A 73 5.190 25.675 -7.205 1.00 0.00 N ATOM 1041 CA VAL A 73 6.191 25.571 -6.151 1.00 0.00 C ATOM 1042 C VAL A 73 7.601 25.708 -6.716 1.00 0.00 C ATOM 1043 O VAL A 73 8.519 26.148 -6.024 1.00 0.00 O ATOM 1044 CB VAL A 73 6.079 24.230 -5.400 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.746 24.135 -4.673 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.255 23.065 -6.362 1.00 0.00 C ATOM 0 H VAL A 73 4.621 24.838 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 73 6.001 26.387 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 73 6.875 24.182 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.685 23.181 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.665 24.950 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.932 24.205 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.173 22.126 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.482 23.107 -7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.236 23.126 -6.832 1.00 0.00 H new ATOM 1056 N THR A 74 7.765 25.328 -7.979 1.00 0.00 N ATOM 1057 CA THR A 74 9.063 25.408 -8.638 1.00 0.00 C ATOM 1058 C THR A 74 9.457 26.856 -8.902 1.00 0.00 C ATOM 1059 O THR A 74 10.556 27.283 -8.548 1.00 0.00 O ATOM 1060 CB THR A 74 9.064 24.636 -9.971 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.764 24.690 -10.570 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.469 23.186 -9.756 1.00 0.00 C ATOM 0 H THR A 74 7.016 24.962 -8.566 1.00 0.00 H new ATOM 0 HA THR A 74 9.789 24.954 -7.963 1.00 0.00 H new ATOM 0 HB THR A 74 9.789 25.105 -10.636 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.219 23.948 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.462 22.661 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.471 23.148 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.765 22.709 -9.075 1.00 0.00 H new ATOM 1070 N GLU A 75 8.554 27.607 -9.525 1.00 0.00 N ATOM 1071 CA GLU A 75 8.810 29.008 -9.835 1.00 0.00 C ATOM 1072 C GLU A 75 9.010 29.821 -8.559 1.00 0.00 C ATOM 1073 O GLU A 75 9.596 30.903 -8.586 1.00 0.00 O ATOM 1074 CB GLU A 75 7.653 29.593 -10.649 1.00 0.00 C ATOM 1075 CG GLU A 75 7.498 28.965 -12.024 1.00 0.00 C ATOM 1076 CD GLU A 75 8.678 29.250 -12.932 1.00 0.00 C ATOM 1077 OE1 GLU A 75 8.769 30.384 -13.449 1.00 0.00 O ATOM 1078 OE2 GLU A 75 9.510 28.340 -13.127 1.00 0.00 O ATOM 0 H GLU A 75 7.640 27.269 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 75 9.724 29.061 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.725 29.462 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.807 30.666 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.380 27.887 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.587 29.340 -12.490 1.00 0.00 H new ATOM 1085 N TRP A 76 8.518 29.291 -7.445 1.00 0.00 N ATOM 1086 CA TRP A 76 8.642 29.967 -6.158 1.00 0.00 C ATOM 1087 C TRP A 76 10.042 29.788 -5.582 1.00 0.00 C ATOM 1088 O TRP A 76 10.670 30.750 -5.139 1.00 0.00 O ATOM 1089 CB TRP A 76 7.600 29.432 -5.175 1.00 0.00 C ATOM 1090 CG TRP A 76 6.528 30.427 -4.846 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.183 30.196 -4.799 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.712 31.808 -4.520 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.519 31.352 -4.463 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.435 32.355 -4.286 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.831 32.637 -4.401 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.249 33.691 -3.942 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.645 33.963 -4.060 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.363 34.479 -3.832 1.00 0.00 C ATOM 0 H TRP A 76 8.030 28.396 -7.406 1.00 0.00 H new ATOM 0 HA TRP A 76 8.468 31.031 -6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.139 28.538 -5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.100 29.130 -4.255 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.710 29.245 -4.997 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.509 31.447 -4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.824 32.248 -4.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.261 34.092 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.503 34.613 -3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.251 35.519 -3.564 1.00 0.00 H new ATOM 1109 N VAL A 77 10.527 28.550 -5.589 1.00 0.00 N ATOM 1110 CA VAL A 77 11.854 28.245 -5.068 1.00 0.00 C ATOM 1111 C VAL A 77 12.942 28.843 -5.952 1.00 0.00 C ATOM 1112 O VAL A 77 14.029 29.175 -5.479 1.00 0.00 O ATOM 1113 CB VAL A 77 12.077 26.725 -4.955 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.150 26.125 -3.909 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.873 26.056 -6.306 1.00 0.00 C ATOM 0 H VAL A 77 10.020 27.742 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 77 11.913 28.688 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 77 13.105 26.549 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.322 25.051 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.349 26.584 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.114 26.310 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.034 24.982 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.856 26.240 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.582 26.466 -7.026 1.00 0.00 H new ATOM 1125 N LYS A 78 12.643 28.980 -7.239 1.00 0.00 N ATOM 1126 CA LYS A 78 13.594 29.540 -8.191 1.00 0.00 C ATOM 1127 C LYS A 78 13.954 30.975 -7.820 1.00 0.00 C ATOM 1128 O LYS A 78 13.251 31.916 -8.185 1.00 0.00 O ATOM 1129 CB LYS A 78 13.015 29.498 -9.607 1.00 0.00 C ATOM 1130 CG LYS A 78 13.596 28.391 -10.470 1.00 0.00 C ATOM 1131 CD LYS A 78 13.972 28.900 -11.851 1.00 0.00 C ATOM 1132 CE LYS A 78 12.797 28.818 -12.814 1.00 0.00 C ATOM 1133 NZ LYS A 78 13.010 29.663 -14.022 1.00 0.00 N ATOM 0 H LYS A 78 11.748 28.710 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 78 14.501 28.936 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.934 29.369 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.194 30.457 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.477 27.973 -9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.870 27.583 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.313 29.933 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.805 28.315 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.648 27.782 -13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.887 29.135 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.188 29.580 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.127 30.656 -13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.864 29.344 -14.522 1.00 0.00 H new ATOM 1147 N GLY A 79 15.056 31.135 -7.093 1.00 0.00 N ATOM 1148 CA GLY A 79 15.491 32.459 -6.687 1.00 0.00 C ATOM 1149 C GLY A 79 15.071 32.797 -5.270 1.00 0.00 C ATOM 1150 O GLY A 79 14.649 33.919 -4.990 1.00 0.00 O ATOM 0 H GLY A 79 15.655 30.372 -6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.576 32.522 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.078 33.200 -7.372 1.00 0.00 H new ATOM 1154 N LYS A 80 15.184 31.824 -4.373 1.00 0.00 N ATOM 1155 CA LYS A 80 14.813 32.022 -2.977 1.00 0.00 C ATOM 1156 C LYS A 80 15.741 31.242 -2.051 1.00 0.00 C ATOM 1157 O LYS A 80 16.037 30.073 -2.295 1.00 0.00 O ATOM 1158 CB LYS A 80 13.363 31.589 -2.747 1.00 0.00 C ATOM 1159 CG LYS A 80 12.522 32.632 -2.031 1.00 0.00 C ATOM 1160 CD LYS A 80 11.579 33.340 -2.989 1.00 0.00 C ATOM 1161 CE LYS A 80 10.552 34.178 -2.242 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.479 35.568 -2.772 1.00 0.00 N ATOM 0 H LYS A 80 15.530 30.889 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 80 14.909 33.083 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.904 31.362 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.356 30.667 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.946 32.155 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.175 33.363 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.153 33.979 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.068 32.604 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.572 33.707 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.807 34.206 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.733 36.092 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.393 36.043 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.260 35.541 -3.788 1.00 0.00 H new ATOM 1176 N SER A 81 16.194 31.897 -0.987 1.00 0.00 N ATOM 1177 CA SER A 81 17.090 31.266 -0.025 1.00 0.00 C ATOM 1178 C SER A 81 16.509 29.946 0.474 1.00 0.00 C ATOM 1179 O SER A 81 15.366 29.604 0.170 1.00 0.00 O ATOM 1180 CB SER A 81 17.347 32.202 1.157 1.00 0.00 C ATOM 1181 OG SER A 81 16.152 32.453 1.877 1.00 0.00 O ATOM 0 H SER A 81 15.955 32.864 -0.769 1.00 0.00 H new ATOM 0 HA SER A 81 18.035 31.061 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.089 31.759 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.763 33.143 0.796 1.00 0.00 H new ATOM 0 HG SER A 81 16.343 33.052 2.629 1.00 0.00 H new ATOM 1187 N LEU A 82 17.305 29.209 1.241 1.00 0.00 N ATOM 1188 CA LEU A 82 16.871 27.927 1.784 1.00 0.00 C ATOM 1189 C LEU A 82 15.758 28.117 2.809 1.00 0.00 C ATOM 1190 O LEU A 82 14.724 27.453 2.749 1.00 0.00 O ATOM 1191 CB LEU A 82 18.052 27.196 2.425 1.00 0.00 C ATOM 1192 CG LEU A 82 19.361 27.214 1.635 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.474 26.551 2.432 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.182 26.524 0.290 1.00 0.00 C ATOM 0 H LEU A 82 18.254 29.477 1.501 1.00 0.00 H new ATOM 0 HA LEU A 82 16.482 27.326 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.237 27.635 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.765 26.158 2.590 1.00 0.00 H new ATOM 0 HG LEU A 82 19.640 28.252 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.398 26.573 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.619 27.088 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.203 25.517 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.124 26.546 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.879 25.489 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.415 27.042 -0.285 1.00 0.00 H new ATOM 1206 N ASP A 83 15.977 29.030 3.749 1.00 0.00 N ATOM 1207 CA ASP A 83 14.992 29.312 4.787 1.00 0.00 C ATOM 1208 C ASP A 83 13.679 29.790 4.174 1.00 0.00 C ATOM 1209 O ASP A 83 12.602 29.337 4.560 1.00 0.00 O ATOM 1210 CB ASP A 83 15.529 30.364 5.758 1.00 0.00 C ATOM 1211 CG ASP A 83 16.150 29.746 6.995 1.00 0.00 C ATOM 1212 OD1 ASP A 83 16.873 28.737 6.856 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.913 30.272 8.103 1.00 0.00 O ATOM 0 H ASP A 83 16.829 29.588 3.814 1.00 0.00 H new ATOM 0 HA ASP A 83 14.802 28.388 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.273 30.978 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.717 31.028 6.055 1.00 0.00 H new ATOM 1218 N GLU A 84 13.778 30.709 3.218 1.00 0.00 N ATOM 1219 CA GLU A 84 12.598 31.249 2.554 1.00 0.00 C ATOM 1220 C GLU A 84 11.740 30.129 1.972 1.00 0.00 C ATOM 1221 O GLU A 84 10.572 29.978 2.329 1.00 0.00 O ATOM 1222 CB GLU A 84 13.009 32.220 1.446 1.00 0.00 C ATOM 1223 CG GLU A 84 13.270 33.633 1.940 1.00 0.00 C ATOM 1224 CD GLU A 84 11.992 34.386 2.257 1.00 0.00 C ATOM 1225 OE1 GLU A 84 10.912 33.760 2.224 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.072 35.601 2.536 1.00 0.00 O ATOM 0 H GLU A 84 14.662 31.094 2.887 1.00 0.00 H new ATOM 0 HA GLU A 84 12.008 31.786 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.908 31.843 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.225 32.248 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.894 33.592 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.832 34.181 1.183 1.00 0.00 H new ATOM 1233 N ALA A 85 12.329 29.347 1.073 1.00 0.00 N ATOM 1234 CA ALA A 85 11.621 28.241 0.442 1.00 0.00 C ATOM 1235 C ALA A 85 11.098 27.258 1.484 1.00 0.00 C ATOM 1236 O ALA A 85 9.974 26.768 1.379 1.00 0.00 O ATOM 1237 CB ALA A 85 12.530 27.528 -0.549 1.00 0.00 C ATOM 0 H ALA A 85 13.295 29.460 0.766 1.00 0.00 H new ATOM 0 HA ALA A 85 10.766 28.650 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.988 26.704 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.851 28.230 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.404 27.139 -0.026 1.00 0.00 H new ATOM 1243 N GLN A 86 11.921 26.974 2.488 1.00 0.00 N ATOM 1244 CA GLN A 86 11.541 26.048 3.549 1.00 0.00 C ATOM 1245 C GLN A 86 10.457 26.652 4.436 1.00 0.00 C ATOM 1246 O GLN A 86 9.811 25.947 5.210 1.00 0.00 O ATOM 1247 CB GLN A 86 12.761 25.678 4.393 1.00 0.00 C ATOM 1248 CG GLN A 86 12.670 24.297 5.021 1.00 0.00 C ATOM 1249 CD GLN A 86 13.318 24.234 6.390 1.00 0.00 C ATOM 1250 OE1 GLN A 86 14.177 23.389 6.645 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.910 25.131 7.280 1.00 0.00 N ATOM 0 H GLN A 86 12.855 27.371 2.589 1.00 0.00 H new ATOM 0 HA GLN A 86 11.143 25.146 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.653 25.726 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.885 26.419 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.622 24.009 5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.148 23.571 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.196 25.813 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.311 25.138 8.218 1.00 0.00 H new ATOM 1260 N ALA A 87 10.266 27.962 4.319 1.00 0.00 N ATOM 1261 CA ALA A 87 9.260 28.661 5.110 1.00 0.00 C ATOM 1262 C ALA A 87 7.886 28.571 4.453 1.00 0.00 C ATOM 1263 O ALA A 87 6.863 28.793 5.101 1.00 0.00 O ATOM 1264 CB ALA A 87 9.659 30.116 5.305 1.00 0.00 C ATOM 0 H ALA A 87 10.794 28.561 3.684 1.00 0.00 H new ATOM 0 HA ALA A 87 9.200 28.178 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.899 30.626 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.616 30.164 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.748 30.602 4.334 1.00 0.00 H new ATOM 1270 N ILE A 88 7.871 28.246 3.165 1.00 0.00 N ATOM 1271 CA ILE A 88 6.623 28.127 2.422 1.00 0.00 C ATOM 1272 C ILE A 88 5.637 27.216 3.145 1.00 0.00 C ATOM 1273 O ILE A 88 6.027 26.215 3.749 1.00 0.00 O ATOM 1274 CB ILE A 88 6.863 27.581 1.002 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.777 28.524 0.217 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.539 27.392 0.277 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.296 27.927 -1.073 1.00 0.00 C ATOM 0 H ILE A 88 8.709 28.060 2.614 1.00 0.00 H new ATOM 0 HA ILE A 88 6.202 29.130 2.351 1.00 0.00 H new ATOM 0 HB ILE A 88 7.354 26.611 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.232 29.440 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.623 28.803 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.725 27.006 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.919 26.685 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.023 28.349 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.937 28.651 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.869 27.026 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.456 27.673 -1.720 1.00 0.00 H new ATOM 1289 N LYS A 89 4.358 27.567 3.080 1.00 0.00 N ATOM 1290 CA LYS A 89 3.314 26.780 3.725 1.00 0.00 C ATOM 1291 C LYS A 89 2.324 26.241 2.697 1.00 0.00 C ATOM 1292 O LYS A 89 1.892 26.963 1.800 1.00 0.00 O ATOM 1293 CB LYS A 89 2.575 27.628 4.763 1.00 0.00 C ATOM 1294 CG LYS A 89 3.348 27.815 6.057 1.00 0.00 C ATOM 1295 CD LYS A 89 4.009 29.182 6.120 1.00 0.00 C ATOM 1296 CE LYS A 89 3.046 30.243 6.631 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.677 30.017 8.056 1.00 0.00 N ATOM 0 H LYS A 89 4.019 28.393 2.586 1.00 0.00 H new ATOM 0 HA LYS A 89 3.788 25.935 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.359 28.606 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.616 27.160 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.673 27.697 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.108 27.038 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.881 29.136 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.367 29.461 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.501 31.228 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.145 30.241 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.378 30.916 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.896 29.332 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.499 29.644 8.573 1.00 0.00 H new ATOM 1311 N ASN A 90 1.969 24.967 2.835 1.00 0.00 N ATOM 1312 CA ASN A 90 1.030 24.332 1.918 1.00 0.00 C ATOM 1313 C ASN A 90 -0.211 25.198 1.725 1.00 0.00 C ATOM 1314 O ASN A 90 -0.758 25.283 0.625 1.00 0.00 O ATOM 1315 CB ASN A 90 0.626 22.953 2.443 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.265 23.038 3.668 1.00 0.00 C ATOM 1317 OD1 ASN A 90 0.203 23.319 4.771 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.556 22.795 3.477 1.00 0.00 N ATOM 0 H ASN A 90 2.318 24.355 3.573 1.00 0.00 H new ATOM 0 HA ASN A 90 1.524 24.216 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.106 22.406 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.523 22.384 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.205 22.838 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.899 22.566 2.544 1.00 0.00 H new ATOM 1325 N THR A 91 -0.652 25.840 2.803 1.00 0.00 N ATOM 1326 CA THR A 91 -1.828 26.699 2.753 1.00 0.00 C ATOM 1327 C THR A 91 -1.734 27.694 1.602 1.00 0.00 C ATOM 1328 O THR A 91 -2.736 28.012 0.960 1.00 0.00 O ATOM 1329 CB THR A 91 -2.015 27.473 4.071 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.179 28.303 3.991 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.795 28.329 4.374 1.00 0.00 C ATOM 0 H THR A 91 -0.212 25.781 3.721 1.00 0.00 H new ATOM 0 HA THR A 91 -2.688 26.048 2.597 1.00 0.00 H new ATOM 0 HB THR A 91 -2.140 26.750 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.292 28.791 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.951 28.866 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.084 27.691 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.643 29.044 3.566 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.526 28.181 1.345 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.301 29.140 0.269 1.00 0.00 C ATOM 1341 C ASP A 92 -0.416 28.464 -1.094 1.00 0.00 C ATOM 1342 O ASP A 92 -0.973 29.032 -2.034 1.00 0.00 O ATOM 1343 CB ASP A 92 1.077 29.789 0.415 1.00 0.00 C ATOM 1344 CG ASP A 92 1.054 30.995 1.333 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.584 32.065 0.894 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.507 30.868 2.490 1.00 0.00 O ATOM 0 H ASP A 92 0.313 27.928 1.867 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.067 29.912 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.782 29.054 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.439 30.091 -0.568 1.00 0.00 H new ATOM 1351 N ILE A 93 0.114 27.249 -1.193 1.00 0.00 N ATOM 1352 CA ILE A 93 0.070 26.497 -2.441 1.00 0.00 C ATOM 1353 C ILE A 93 -1.340 25.992 -2.729 1.00 0.00 C ATOM 1354 O ILE A 93 -1.706 25.766 -3.882 1.00 0.00 O ATOM 1355 CB ILE A 93 1.036 25.298 -2.409 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.481 25.782 -2.273 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.871 24.452 -3.663 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.910 26.007 -0.840 1.00 0.00 C ATOM 0 H ILE A 93 0.578 26.765 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 93 0.377 27.180 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 93 0.797 24.681 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.146 25.050 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.598 26.712 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.560 23.608 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.153 24.082 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.087 25.059 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.945 26.349 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.269 26.761 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.825 25.073 -0.284 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.128 25.819 -1.673 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.499 25.345 -1.812 1.00 0.00 C ATOM 1372 C ALA A 94 -4.408 26.444 -2.352 1.00 0.00 C ATOM 1373 O ALA A 94 -5.173 26.224 -3.290 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.020 24.835 -0.476 1.00 0.00 C ATOM 0 H ALA A 94 -1.840 26.000 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.502 24.523 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.045 24.484 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.393 24.013 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.996 25.642 0.256 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.319 27.627 -1.752 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.135 28.759 -2.173 1.00 0.00 C ATOM 1382 C GLU A 95 -4.575 29.392 -3.444 1.00 0.00 C ATOM 1383 O GLU A 95 -5.300 30.036 -4.200 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.208 29.806 -1.059 1.00 0.00 C ATOM 1385 CG GLU A 95 -3.870 30.452 -0.743 1.00 0.00 C ATOM 1386 CD GLU A 95 -3.842 31.930 -1.080 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -4.654 32.685 -0.505 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -3.009 32.332 -1.919 1.00 0.00 O ATOM 0 H GLU A 95 -3.691 27.826 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.139 28.391 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.918 30.582 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.598 29.337 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.648 30.320 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.084 29.941 -1.299 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.279 29.201 -3.670 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.621 29.754 -4.848 1.00 0.00 C ATOM 1397 C GLU A 96 -3.354 29.346 -6.123 1.00 0.00 C ATOM 1398 O GLU A 96 -3.651 30.182 -6.977 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.165 29.288 -4.913 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.166 30.351 -4.485 1.00 0.00 C ATOM 1401 CD GLU A 96 0.053 31.408 -5.550 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.714 31.426 -6.535 1.00 0.00 O ATOM 1403 OE2 GLU A 96 0.991 32.218 -5.396 1.00 0.00 O ATOM 0 H GLU A 96 -2.665 28.668 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.644 30.841 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.044 28.411 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.937 28.977 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.519 30.829 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.786 29.876 -4.249 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.641 28.054 -6.245 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.339 27.533 -7.415 1.00 0.00 C ATOM 1412 C LEU A 97 -5.695 26.951 -7.026 1.00 0.00 C ATOM 1413 O LEU A 97 -6.414 26.415 -7.868 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.491 26.463 -8.104 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.066 26.874 -8.477 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.093 25.739 -8.195 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.996 27.288 -9.940 1.00 0.00 C ATOM 0 H LEU A 97 -3.401 27.349 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.504 28.359 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.437 25.593 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.006 26.148 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.782 27.730 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.084 26.049 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.123 25.489 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.374 24.865 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.975 27.577 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.299 26.452 -10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.664 28.132 -10.112 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.036 27.064 -5.746 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.306 26.549 -5.247 1.00 0.00 C ATOM 1431 C GLU A 98 -7.503 25.093 -5.658 1.00 0.00 C ATOM 1432 O GLU A 98 -8.468 24.754 -6.343 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.466 27.399 -5.770 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.669 28.693 -5.000 1.00 0.00 C ATOM 1435 CD GLU A 98 -10.083 29.227 -5.118 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.992 28.647 -4.489 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.280 30.227 -5.841 1.00 0.00 O ATOM 0 H GLU A 98 -5.452 27.507 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.287 26.601 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.288 27.635 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.384 26.812 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.434 28.526 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.969 29.444 -5.368 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.580 24.236 -5.234 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.650 22.815 -5.558 1.00 0.00 C ATOM 1446 C LEU A 99 -8.010 22.237 -5.180 1.00 0.00 C ATOM 1447 O LEU A 99 -8.666 22.690 -4.241 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.540 22.052 -4.833 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.186 22.003 -5.542 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -4.244 21.066 -6.738 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.760 23.398 -5.975 1.00 0.00 C ATOM 0 H LEU A 99 -5.775 24.500 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.515 22.705 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.397 22.504 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.878 21.029 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.444 21.620 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.272 21.044 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.503 20.062 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.998 21.419 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.794 23.344 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.503 23.809 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.677 24.042 -5.099 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.445 21.211 -5.926 1.00 0.00 N ATOM 1464 CA PRO A 100 -9.730 20.547 -5.687 1.00 0.00 C ATOM 1465 C PRO A 100 -9.732 19.736 -4.396 1.00 0.00 C ATOM 1466 O PRO A 100 -8.687 19.324 -3.892 1.00 0.00 O ATOM 1467 CB PRO A 100 -9.883 19.624 -6.899 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.490 19.364 -7.356 1.00 0.00 C ATOM 1469 CD PRO A 100 -7.716 20.620 -7.061 1.00 0.00 C ATOM 0 HA PRO A 100 -10.544 21.263 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.390 18.698 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.475 20.095 -7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.061 18.509 -6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.466 19.131 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.680 20.402 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.697 21.291 -7.920 1.00 0.00 H new ATOM 1477 N PRO A 101 -10.932 19.500 -3.846 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.098 18.735 -2.606 1.00 0.00 C ATOM 1479 C PRO A 101 -10.783 17.255 -2.792 1.00 0.00 C ATOM 1480 O PRO A 101 -10.772 16.487 -1.830 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.578 18.928 -2.266 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.234 19.211 -3.574 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.220 19.961 -4.392 1.00 0.00 C ATOM 0 HA PRO A 101 -10.419 19.074 -1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.996 18.037 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.719 19.752 -1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.529 18.287 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.139 19.802 -3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.311 19.732 -5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.338 21.040 -4.287 1.00 0.00 H new ATOM 1491 N VAL A 102 -10.528 16.860 -4.035 1.00 0.00 N ATOM 1492 CA VAL A 102 -10.211 15.472 -4.347 1.00 0.00 C ATOM 1493 C VAL A 102 -9.123 14.936 -3.422 1.00 0.00 C ATOM 1494 O VAL A 102 -9.280 13.881 -2.806 1.00 0.00 O ATOM 1495 CB VAL A 102 -9.750 15.315 -5.808 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -9.590 13.845 -6.163 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -10.730 15.997 -6.751 1.00 0.00 C ATOM 0 H VAL A 102 -10.535 17.482 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.126 14.898 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.779 15.797 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.264 13.754 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.847 13.391 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.545 13.334 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.389 15.877 -7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.716 15.545 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -10.788 17.058 -6.510 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.019 15.669 -3.330 1.00 0.00 N ATOM 1508 CA LYS A 103 -6.904 15.269 -2.479 1.00 0.00 C ATOM 1509 C LYS A 103 -6.075 16.481 -2.064 1.00 0.00 C ATOM 1510 O LYS A 103 -5.035 16.765 -2.659 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.018 14.256 -3.207 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.699 14.646 -4.640 1.00 0.00 C ATOM 1513 CD LYS A 103 -4.240 14.390 -4.977 1.00 0.00 C ATOM 1514 CE LYS A 103 -4.041 13.006 -5.575 1.00 0.00 C ATOM 1515 NZ LYS A 103 -3.954 13.051 -7.061 1.00 0.00 N ATOM 0 H LYS A 103 -7.872 16.543 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.312 14.805 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.085 14.139 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.514 13.285 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.335 14.081 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.928 15.701 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.890 15.145 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.635 14.489 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.130 12.563 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.868 12.360 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.818 12.088 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.833 13.450 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.150 13.647 -7.344 1.00 0.00 H new ATOM 1529 N ILE A 104 -6.541 17.189 -1.041 1.00 0.00 N ATOM 1530 CA ILE A 104 -5.841 18.367 -0.546 1.00 0.00 C ATOM 1531 C ILE A 104 -4.360 18.076 -0.330 1.00 0.00 C ATOM 1532 O ILE A 104 -3.530 18.986 -0.333 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.452 18.872 0.774 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -7.938 19.186 0.587 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -5.704 20.101 1.268 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.208 20.211 -0.492 1.00 0.00 C ATOM 0 H ILE A 104 -7.401 16.967 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.949 19.141 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.357 18.087 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.468 18.265 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.346 19.548 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.148 20.446 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.657 19.847 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.770 20.892 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.281 20.384 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.707 21.146 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.830 19.843 -1.446 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.034 16.801 -0.143 1.00 0.00 N ATOM 1549 CA HIS A 105 -2.652 16.389 0.073 1.00 0.00 C ATOM 1550 C HIS A 105 -1.726 17.034 -0.954 1.00 0.00 C ATOM 1551 O HIS A 105 -0.541 17.243 -0.691 1.00 0.00 O ATOM 1552 CB HIS A 105 -2.534 14.866 -0.002 1.00 0.00 C ATOM 1553 CG HIS A 105 -1.956 14.248 1.234 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.262 14.683 2.506 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.087 13.222 1.387 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -1.605 13.952 3.388 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -0.884 13.058 2.735 1.00 0.00 N ATOM 0 H HIS A 105 -4.708 16.036 -0.137 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.351 16.721 1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -3.522 14.442 -0.182 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.912 14.600 -0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.637 12.640 0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.650 14.066 4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.276 12.360 3.163 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.273 17.346 -2.123 1.00 0.00 N ATOM 1566 CA CYS A 106 -1.496 17.966 -3.190 1.00 0.00 C ATOM 1567 C CYS A 106 -0.842 19.256 -2.707 1.00 0.00 C ATOM 1568 O CYS A 106 0.320 19.526 -3.011 1.00 0.00 O ATOM 1569 CB CYS A 106 -2.388 18.253 -4.399 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.927 19.111 -3.993 1.00 0.00 S ATOM 0 H CYS A 106 -3.252 17.180 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 106 -0.710 17.270 -3.485 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -1.828 18.853 -5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.629 17.311 -4.891 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.663 18.349 -3.240 1.00 0.00 H new ATOM 1576 N SER A 107 -1.597 20.051 -1.955 1.00 0.00 N ATOM 1577 CA SER A 107 -1.092 21.316 -1.434 1.00 0.00 C ATOM 1578 C SER A 107 0.132 21.091 -0.552 1.00 0.00 C ATOM 1579 O SER A 107 1.110 21.835 -0.628 1.00 0.00 O ATOM 1580 CB SER A 107 -2.183 22.036 -0.639 1.00 0.00 C ATOM 1581 OG SER A 107 -3.372 22.159 -1.400 1.00 0.00 O ATOM 0 H SER A 107 -2.560 19.841 -1.693 1.00 0.00 H new ATOM 0 HA SER A 107 -0.799 21.938 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.391 21.487 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.831 23.025 -0.346 1.00 0.00 H new ATOM 0 HG SER A 107 -4.146 22.157 -0.799 1.00 0.00 H new ATOM 1587 N ILE A 108 0.069 20.060 0.284 1.00 0.00 N ATOM 1588 CA ILE A 108 1.172 19.736 1.180 1.00 0.00 C ATOM 1589 C ILE A 108 2.345 19.136 0.414 1.00 0.00 C ATOM 1590 O ILE A 108 3.480 19.598 0.532 1.00 0.00 O ATOM 1591 CB ILE A 108 0.733 18.751 2.280 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.328 19.392 3.176 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.933 18.308 3.103 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.734 19.273 2.629 1.00 0.00 C ATOM 0 H ILE A 108 -0.734 19.435 0.359 1.00 0.00 H new ATOM 0 HA ILE A 108 1.486 20.671 1.645 1.00 0.00 H new ATOM 0 HB ILE A 108 0.297 17.871 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.289 18.927 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.088 20.446 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.607 17.612 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.658 17.816 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.396 19.178 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.433 19.749 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.789 19.764 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.994 18.220 2.519 1.00 0.00 H new ATOM 1606 N LEU A 109 2.063 18.104 -0.374 1.00 0.00 N ATOM 1607 CA LEU A 109 3.095 17.440 -1.163 1.00 0.00 C ATOM 1608 C LEU A 109 3.892 18.452 -1.980 1.00 0.00 C ATOM 1609 O LEU A 109 5.076 18.252 -2.249 1.00 0.00 O ATOM 1610 CB LEU A 109 2.465 16.401 -2.093 1.00 0.00 C ATOM 1611 CG LEU A 109 1.870 15.166 -1.414 1.00 0.00 C ATOM 1612 CD1 LEU A 109 1.357 14.182 -2.453 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.902 14.504 -0.513 1.00 0.00 C ATOM 0 H LEU A 109 1.129 17.709 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 109 3.776 16.938 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.679 16.888 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.223 16.071 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 109 1.029 15.483 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.937 13.310 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.586 14.660 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.180 13.870 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.461 13.627 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.763 14.200 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.222 15.210 0.254 1.00 0.00 H new ATOM 1625 N ALA A 110 3.235 19.540 -2.368 1.00 0.00 N ATOM 1626 CA ALA A 110 3.883 20.586 -3.149 1.00 0.00 C ATOM 1627 C ALA A 110 4.974 21.279 -2.340 1.00 0.00 C ATOM 1628 O ALA A 110 6.073 21.517 -2.840 1.00 0.00 O ATOM 1629 CB ALA A 110 2.855 21.599 -3.630 1.00 0.00 C ATOM 0 H ALA A 110 2.254 19.720 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 110 4.351 20.121 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.353 22.375 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.114 21.098 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.360 22.052 -2.771 1.00 0.00 H new ATOM 1635 N GLU A 111 4.663 21.601 -1.089 1.00 0.00 N ATOM 1636 CA GLU A 111 5.617 22.269 -0.212 1.00 0.00 C ATOM 1637 C GLU A 111 6.588 21.264 0.402 1.00 0.00 C ATOM 1638 O GLU A 111 7.685 21.625 0.827 1.00 0.00 O ATOM 1639 CB GLU A 111 4.883 23.027 0.895 1.00 0.00 C ATOM 1640 CG GLU A 111 4.083 22.127 1.822 1.00 0.00 C ATOM 1641 CD GLU A 111 4.000 22.671 3.235 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.434 23.821 3.454 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.503 21.946 4.122 1.00 0.00 O ATOM 0 H GLU A 111 3.758 21.410 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 111 6.187 22.979 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.610 23.587 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.211 23.756 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.076 22.005 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.539 21.137 1.844 1.00 0.00 H new ATOM 1650 N ASP A 112 6.174 20.002 0.445 1.00 0.00 N ATOM 1651 CA ASP A 112 7.006 18.944 1.006 1.00 0.00 C ATOM 1652 C ASP A 112 8.079 18.511 0.011 1.00 0.00 C ATOM 1653 O ASP A 112 9.153 18.054 0.402 1.00 0.00 O ATOM 1654 CB ASP A 112 6.144 17.743 1.400 1.00 0.00 C ATOM 1655 CG ASP A 112 5.221 18.050 2.563 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.136 19.232 2.957 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.585 17.108 3.081 1.00 0.00 O ATOM 0 H ASP A 112 5.268 19.687 0.098 1.00 0.00 H new ATOM 0 HA ASP A 112 7.498 19.336 1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.550 17.428 0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.791 16.906 1.664 1.00 0.00 H new ATOM 1662 N ALA A 113 7.779 18.656 -1.275 1.00 0.00 N ATOM 1663 CA ALA A 113 8.718 18.281 -2.325 1.00 0.00 C ATOM 1664 C ALA A 113 9.859 19.288 -2.427 1.00 0.00 C ATOM 1665 O ALA A 113 11.017 18.911 -2.607 1.00 0.00 O ATOM 1666 CB ALA A 113 7.997 18.161 -3.660 1.00 0.00 C ATOM 0 H ALA A 113 6.893 19.030 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 113 9.145 17.312 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.710 17.880 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.222 17.398 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.542 19.118 -3.915 1.00 0.00 H new ATOM 1672 N ILE A 114 9.523 20.568 -2.312 1.00 0.00 N ATOM 1673 CA ILE A 114 10.521 21.629 -2.391 1.00 0.00 C ATOM 1674 C ILE A 114 11.449 21.601 -1.181 1.00 0.00 C ATOM 1675 O ILE A 114 12.648 21.856 -1.298 1.00 0.00 O ATOM 1676 CB ILE A 114 9.860 23.017 -2.485 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.949 23.256 -1.279 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.075 23.142 -3.782 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.203 24.570 -1.337 1.00 0.00 C ATOM 0 H ILE A 114 8.569 20.896 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 114 11.102 21.450 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 114 10.642 23.777 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.228 22.441 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.549 23.228 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.613 24.128 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.748 23.011 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.300 22.376 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.577 24.672 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.917 25.393 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.576 24.594 -2.228 1.00 0.00 H new ATOM 1691 N LYS A 115 10.888 21.288 -0.018 1.00 0.00 N ATOM 1692 CA LYS A 115 11.664 21.223 1.214 1.00 0.00 C ATOM 1693 C LYS A 115 12.620 20.035 1.193 1.00 0.00 C ATOM 1694 O LYS A 115 13.775 20.149 1.602 1.00 0.00 O ATOM 1695 CB LYS A 115 10.732 21.120 2.424 1.00 0.00 C ATOM 1696 CG LYS A 115 10.793 22.328 3.343 1.00 0.00 C ATOM 1697 CD LYS A 115 9.431 22.647 3.936 1.00 0.00 C ATOM 1698 CE LYS A 115 8.700 23.700 3.118 1.00 0.00 C ATOM 1699 NZ LYS A 115 7.236 23.696 3.391 1.00 0.00 N ATOM 0 H LYS A 115 9.897 21.075 0.097 1.00 0.00 H new ATOM 0 HA LYS A 115 12.251 22.138 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.708 20.992 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.988 20.227 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.505 22.140 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.160 23.191 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.831 21.738 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.552 23.000 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.109 24.685 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.872 23.520 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.815 24.579 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.795 22.886 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.074 23.621 4.416 1.00 0.00 H new ATOM 1713 N ALA A 116 12.131 18.896 0.713 1.00 0.00 N ATOM 1714 CA ALA A 116 12.943 17.688 0.635 1.00 0.00 C ATOM 1715 C ALA A 116 14.256 17.955 -0.094 1.00 0.00 C ATOM 1716 O ALA A 116 15.264 17.298 0.163 1.00 0.00 O ATOM 1717 CB ALA A 116 12.170 16.576 -0.057 1.00 0.00 C ATOM 0 H ALA A 116 11.176 18.785 0.372 1.00 0.00 H new ATOM 0 HA ALA A 116 13.179 17.373 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.789 15.680 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.263 16.359 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.904 16.891 -1.066 1.00 0.00 H new ATOM 1723 N ALA A 117 14.235 18.923 -1.004 1.00 0.00 N ATOM 1724 CA ALA A 117 15.424 19.278 -1.769 1.00 0.00 C ATOM 1725 C ALA A 117 16.392 20.104 -0.929 1.00 0.00 C ATOM 1726 O ALA A 117 17.604 19.892 -0.973 1.00 0.00 O ATOM 1727 CB ALA A 117 15.035 20.037 -3.029 1.00 0.00 C ATOM 0 H ALA A 117 13.408 19.475 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 117 15.929 18.356 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.933 20.295 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.389 19.412 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.503 20.948 -2.755 1.00 0.00 H new ATOM 1733 N ILE A 118 15.849 21.046 -0.165 1.00 0.00 N ATOM 1734 CA ILE A 118 16.665 21.904 0.685 1.00 0.00 C ATOM 1735 C ILE A 118 17.447 21.083 1.704 1.00 0.00 C ATOM 1736 O ILE A 118 18.570 21.433 2.068 1.00 0.00 O ATOM 1737 CB ILE A 118 15.804 22.941 1.430 1.00 0.00 C ATOM 1738 CG1 ILE A 118 15.079 23.846 0.431 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.667 23.768 2.372 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.214 24.899 1.088 1.00 0.00 C ATOM 0 H ILE A 118 14.848 21.234 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 118 17.362 22.426 0.030 1.00 0.00 H new ATOM 0 HB ILE A 118 15.057 22.413 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.817 24.337 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.458 23.231 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.044 24.496 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.142 23.111 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.434 24.289 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.731 25.504 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.454 24.415 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.834 25.538 1.717 1.00 0.00 H new ATOM 1752 N ALA A 119 16.847 19.989 2.161 1.00 0.00 N ATOM 1753 CA ALA A 119 17.489 19.116 3.135 1.00 0.00 C ATOM 1754 C ALA A 119 18.492 18.185 2.462 1.00 0.00 C ATOM 1755 O ALA A 119 19.394 17.654 3.110 1.00 0.00 O ATOM 1756 CB ALA A 119 16.443 18.310 3.891 1.00 0.00 C ATOM 0 H ALA A 119 15.917 19.686 1.872 1.00 0.00 H new ATOM 0 HA ALA A 119 18.033 19.741 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.937 17.662 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.768 18.988 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.875 17.701 3.188 1.00 0.00 H new ATOM 1762 N ASP A 120 18.328 17.990 1.158 1.00 0.00 N ATOM 1763 CA ASP A 120 19.219 17.123 0.396 1.00 0.00 C ATOM 1764 C ASP A 120 20.537 17.830 0.094 1.00 0.00 C ATOM 1765 O ASP A 120 21.601 17.209 0.097 1.00 0.00 O ATOM 1766 CB ASP A 120 18.550 16.686 -0.908 1.00 0.00 C ATOM 1767 CG ASP A 120 18.191 15.213 -0.909 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.568 14.754 0.070 1.00 0.00 O ATOM 1769 OD2 ASP A 120 18.534 14.520 -1.890 1.00 0.00 O ATOM 0 H ASP A 120 17.586 18.421 0.607 1.00 0.00 H new ATOM 0 HA ASP A 120 19.430 16.240 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.648 17.277 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.218 16.895 -1.744 1.00 0.00 H new ATOM 1774 N TYR A 121 20.459 19.129 -0.168 1.00 0.00 N ATOM 1775 CA TYR A 121 21.645 19.920 -0.476 1.00 0.00 C ATOM 1776 C TYR A 121 22.570 20.009 0.734 1.00 0.00 C ATOM 1777 O TYR A 121 23.769 19.748 0.635 1.00 0.00 O ATOM 1778 CB TYR A 121 21.244 21.324 -0.929 1.00 0.00 C ATOM 1779 CG TYR A 121 22.405 22.289 -1.010 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.254 22.295 -2.109 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.652 23.196 0.014 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.317 23.175 -2.187 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.712 24.080 -0.056 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.541 24.065 -1.158 1.00 0.00 C ATOM 1785 OH TYR A 121 25.598 24.944 -1.231 1.00 0.00 O ATOM 0 H TYR A 121 19.587 19.658 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 121 22.181 19.424 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.768 21.259 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.500 21.721 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.081 21.600 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 121 22.005 23.210 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 121 24.968 23.166 -3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.890 24.779 0.748 1.00 0.00 H new ATOM 0 HH TYR A 121 25.615 25.503 -0.426 1.00 0.00 H new ATOM 1795 N LYS A 122 22.003 20.379 1.878 1.00 0.00 N ATOM 1796 CA LYS A 122 22.773 20.501 3.110 1.00 0.00 C ATOM 1797 C LYS A 122 23.488 19.194 3.436 1.00 0.00 C ATOM 1798 O LYS A 122 24.514 19.189 4.116 1.00 0.00 O ATOM 1799 CB LYS A 122 21.858 20.898 4.270 1.00 0.00 C ATOM 1800 CG LYS A 122 20.947 22.071 3.952 1.00 0.00 C ATOM 1801 CD LYS A 122 21.113 23.195 4.961 1.00 0.00 C ATOM 1802 CE LYS A 122 19.771 23.796 5.351 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.931 25.098 6.057 1.00 0.00 N ATOM 0 H LYS A 122 21.012 20.600 1.977 1.00 0.00 H new ATOM 0 HA LYS A 122 23.523 21.278 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.247 20.040 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.471 21.149 5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.167 22.443 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.910 21.736 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.615 22.815 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.752 23.971 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.164 23.940 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.233 23.098 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.994 25.475 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.489 24.957 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.422 25.772 5.435 1.00 0.00 H new ATOM 1817 N SER A 123 22.940 18.086 2.947 1.00 0.00 N ATOM 1818 CA SER A 123 23.524 16.772 3.189 1.00 0.00 C ATOM 1819 C SER A 123 24.650 16.488 2.199 1.00 0.00 C ATOM 1820 O SER A 123 25.534 15.672 2.463 1.00 0.00 O ATOM 1821 CB SER A 123 22.452 15.687 3.085 1.00 0.00 C ATOM 1822 OG SER A 123 22.980 14.501 2.515 1.00 0.00 O ATOM 0 H SER A 123 22.092 18.072 2.381 1.00 0.00 H new ATOM 0 HA SER A 123 23.939 16.766 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 123 22.051 15.471 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 123 21.622 16.048 2.477 1.00 0.00 H new ATOM 0 HG SER A 123 22.275 13.822 2.461 1.00 0.00 H new ATOM 1828 N LYS A 124 24.611 17.166 1.057 1.00 0.00 N ATOM 1829 CA LYS A 124 25.627 16.989 0.027 1.00 0.00 C ATOM 1830 C LYS A 124 26.893 17.767 0.371 1.00 0.00 C ATOM 1831 O LYS A 124 27.984 17.431 -0.090 1.00 0.00 O ATOM 1832 CB LYS A 124 25.089 17.445 -1.332 1.00 0.00 C ATOM 1833 CG LYS A 124 25.041 16.336 -2.370 1.00 0.00 C ATOM 1834 CD LYS A 124 23.675 15.671 -2.411 1.00 0.00 C ATOM 1835 CE LYS A 124 23.721 14.352 -3.167 1.00 0.00 C ATOM 1836 NZ LYS A 124 22.393 13.994 -3.739 1.00 0.00 N ATOM 0 H LYS A 124 23.886 17.844 0.822 1.00 0.00 H new ATOM 0 HA LYS A 124 25.876 15.929 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.086 17.850 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 124 25.713 18.256 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.277 16.745 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 124 25.803 15.591 -2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.323 15.497 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.958 16.340 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.456 14.419 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.053 13.560 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 22.466 13.089 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 21.697 13.905 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 22.088 14.737 -4.399 1.00 0.00 H new ATOM 1850 N ARG A 125 26.740 18.807 1.185 1.00 0.00 N ATOM 1851 CA ARG A 125 27.871 19.632 1.591 1.00 0.00 C ATOM 1852 C ARG A 125 28.179 19.441 3.073 1.00 0.00 C ATOM 1853 O ARG A 125 29.213 19.892 3.565 1.00 0.00 O ATOM 1854 CB ARG A 125 27.583 21.107 1.305 1.00 0.00 C ATOM 1855 CG ARG A 125 26.392 21.655 2.074 1.00 0.00 C ATOM 1856 CD ARG A 125 26.808 22.758 3.034 1.00 0.00 C ATOM 1857 NE ARG A 125 27.043 22.250 4.383 1.00 0.00 N ATOM 1858 CZ ARG A 125 27.478 23.004 5.386 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.724 24.292 5.194 1.00 0.00 N ATOM 1860 NH2 ARG A 125 27.667 22.469 6.586 1.00 0.00 N ATOM 0 H ARG A 125 25.844 19.098 1.576 1.00 0.00 H new ATOM 0 HA ARG A 125 28.741 19.320 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.466 21.696 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.405 21.233 0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.652 22.041 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.914 20.848 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.714 23.237 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 125 26.032 23.523 3.065 1.00 0.00 H new ATOM 0 HE ARG A 125 26.863 21.263 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.579 24.707 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 125 28.058 24.868 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 125 27.478 21.478 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 125 28.001 23.049 7.356 1.00 0.00 H new