USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -171:sc= 0 (180deg=-0.0247) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 139:sc= -0.848 (180deg=-3.88!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -2.15 K(o=-2.1,f=-9.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.832 K(o=-0.83,f=-8.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 12:sc= -1.08 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -172:sc= -0.582 USER MOD Single : A 86 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.05) USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -0.118 (180deg=-0.542) USER MOD Single : A 90 ASN : amide:sc= -1.27 X(o=-1.3,f=-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 105 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.0225 USER MOD Single : A 107 SER OG : rot -109:sc= -1.74! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 30:sc= -0.193 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+ -172:sc= 0.103 (180deg=0.085) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 26.194 20.102 -5.454 1.00 0.00 N ATOM 385 CA ASN A 26 25.483 21.228 -4.860 1.00 0.00 C ATOM 386 C ASN A 26 24.028 21.256 -5.319 1.00 0.00 C ATOM 387 O ASN A 26 23.413 22.319 -5.403 1.00 0.00 O ATOM 388 CB ASN A 26 26.171 22.544 -5.227 1.00 0.00 C ATOM 389 CG ASN A 26 26.738 22.527 -6.633 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.860 22.420 -7.624 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.951 22.609 -6.826 1.00 0.00 N flip ATOM 0 HA ASN A 26 25.501 21.106 -3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.456 23.362 -5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.974 22.742 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 26 28.589 22.690 -6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 26 28.318 22.596 -7.778 1.00 0.00 H new ATOM 398 N VAL A 27 23.484 20.080 -5.615 1.00 0.00 N ATOM 399 CA VAL A 27 22.101 19.969 -6.064 1.00 0.00 C ATOM 400 C VAL A 27 21.256 19.200 -5.055 1.00 0.00 C ATOM 401 O VAL A 27 21.682 18.176 -4.524 1.00 0.00 O ATOM 402 CB VAL A 27 22.010 19.268 -7.433 1.00 0.00 C ATOM 403 CG1 VAL A 27 22.466 17.821 -7.323 1.00 0.00 C ATOM 404 CG2 VAL A 27 20.593 19.349 -7.979 1.00 0.00 C ATOM 0 H VAL A 27 23.980 19.191 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 27 21.716 20.984 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 27 22.673 19.781 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.395 17.342 -8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.500 17.790 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.831 17.292 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.547 18.849 -8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.907 18.862 -7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.308 20.394 -8.097 1.00 0.00 H new ATOM 414 N GLY A 28 20.052 19.702 -4.794 1.00 0.00 N ATOM 415 CA GLY A 28 19.165 19.050 -3.849 1.00 0.00 C ATOM 416 C GLY A 28 17.966 18.414 -4.524 1.00 0.00 C ATOM 417 O GLY A 28 17.366 19.003 -5.423 1.00 0.00 O ATOM 0 H GLY A 28 19.676 20.549 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.719 18.286 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.821 19.779 -3.116 1.00 0.00 H new ATOM 421 N SER A 29 17.616 17.206 -4.091 1.00 0.00 N ATOM 422 CA SER A 29 16.484 16.487 -4.664 1.00 0.00 C ATOM 423 C SER A 29 15.397 16.265 -3.617 1.00 0.00 C ATOM 424 O SER A 29 15.686 15.957 -2.461 1.00 0.00 O ATOM 425 CB SER A 29 16.942 15.143 -5.234 1.00 0.00 C ATOM 426 OG SER A 29 17.440 15.291 -6.552 1.00 0.00 O ATOM 0 H SER A 29 18.100 16.705 -3.346 1.00 0.00 H new ATOM 0 HA SER A 29 16.070 17.093 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.716 14.718 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.108 14.441 -5.234 1.00 0.00 H new ATOM 0 HG SER A 29 17.728 14.418 -6.893 1.00 0.00 H new ATOM 432 N GLY A 30 14.144 16.423 -4.032 1.00 0.00 N ATOM 433 CA GLY A 30 13.031 16.236 -3.119 1.00 0.00 C ATOM 434 C GLY A 30 11.915 15.409 -3.727 1.00 0.00 C ATOM 435 O GLY A 30 11.318 15.802 -4.728 1.00 0.00 O ATOM 0 H GLY A 30 13.880 16.677 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.387 15.748 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.639 17.210 -2.825 1.00 0.00 H new ATOM 439 N MET A 31 11.635 14.260 -3.121 1.00 0.00 N ATOM 440 CA MET A 31 10.583 13.376 -3.609 1.00 0.00 C ATOM 441 C MET A 31 9.568 13.078 -2.510 1.00 0.00 C ATOM 442 O MET A 31 9.934 12.668 -1.409 1.00 0.00 O ATOM 443 CB MET A 31 11.187 12.069 -4.129 1.00 0.00 C ATOM 444 CG MET A 31 10.151 11.089 -4.657 1.00 0.00 C ATOM 445 SD MET A 31 9.970 9.637 -3.604 1.00 0.00 S ATOM 446 CE MET A 31 8.209 9.340 -3.737 1.00 0.00 C ATOM 0 H MET A 31 12.122 13.919 -2.292 1.00 0.00 H new ATOM 0 HA MET A 31 10.068 13.882 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.897 12.297 -4.924 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.749 11.593 -3.326 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.189 11.594 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.434 10.772 -5.661 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.914 8.575 -3.019 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.668 10.263 -3.528 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.972 9.001 -4.746 1.00 0.00 H new ATOM 456 N VAL A 32 8.292 13.289 -2.816 1.00 0.00 N ATOM 457 CA VAL A 32 7.224 13.043 -1.854 1.00 0.00 C ATOM 458 C VAL A 32 6.009 12.419 -2.530 1.00 0.00 C ATOM 459 O VAL A 32 5.798 12.587 -3.731 1.00 0.00 O ATOM 460 CB VAL A 32 6.795 14.342 -1.148 1.00 0.00 C ATOM 461 CG1 VAL A 32 7.992 15.017 -0.496 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.113 15.282 -2.131 1.00 0.00 C ATOM 0 H VAL A 32 7.972 13.630 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 32 7.619 12.349 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 32 6.080 14.090 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.669 15.933 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.433 14.344 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.734 15.258 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.816 16.195 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.804 15.529 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.230 14.796 -2.546 1.00 0.00 H new ATOM 472 N GLY A 33 5.210 11.697 -1.750 1.00 0.00 N ATOM 473 CA GLY A 33 4.024 11.058 -2.291 1.00 0.00 C ATOM 474 C GLY A 33 3.237 10.309 -1.235 1.00 0.00 C ATOM 475 O GLY A 33 3.578 10.346 -0.053 1.00 0.00 O ATOM 0 H GLY A 33 5.363 11.543 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.385 11.813 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.316 10.366 -3.081 1.00 0.00 H new ATOM 479 N ALA A 34 2.178 9.628 -1.661 1.00 0.00 N ATOM 480 CA ALA A 34 1.340 8.866 -0.743 1.00 0.00 C ATOM 481 C ALA A 34 1.053 7.472 -1.289 1.00 0.00 C ATOM 482 O ALA A 34 0.990 7.254 -2.499 1.00 0.00 O ATOM 483 CB ALA A 34 0.038 9.608 -0.477 1.00 0.00 C ATOM 0 H ALA A 34 1.880 9.588 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 34 1.882 8.755 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.578 9.027 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.257 10.580 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.499 9.749 -1.415 1.00 0.00 H new ATOM 489 N PRO A 35 0.877 6.503 -0.378 1.00 0.00 N ATOM 490 CA PRO A 35 0.595 5.112 -0.746 1.00 0.00 C ATOM 491 C PRO A 35 -0.798 4.941 -1.342 1.00 0.00 C ATOM 492 O PRO A 35 -0.962 4.328 -2.396 1.00 0.00 O ATOM 493 CB PRO A 35 0.703 4.364 0.585 1.00 0.00 C ATOM 494 CG PRO A 35 0.408 5.392 1.622 1.00 0.00 C ATOM 495 CD PRO A 35 0.939 6.691 1.081 1.00 0.00 C ATOM 0 HA PRO A 35 1.278 4.747 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.006 3.538 0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.697 3.939 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.663 5.458 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.885 5.139 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.333 7.538 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.958 6.881 1.419 1.00 0.00 H new ATOM 503 N ALA A 36 -1.799 5.488 -0.659 1.00 0.00 N ATOM 504 CA ALA A 36 -3.179 5.398 -1.122 1.00 0.00 C ATOM 505 C ALA A 36 -3.463 6.434 -2.205 1.00 0.00 C ATOM 506 O ALA A 36 -4.489 6.370 -2.884 1.00 0.00 O ATOM 507 CB ALA A 36 -4.140 5.573 0.044 1.00 0.00 C ATOM 0 H ALA A 36 -1.680 5.998 0.216 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.327 4.409 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.166 5.503 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.961 4.792 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.982 6.549 0.502 1.00 0.00 H new ATOM 513 N CYS A 37 -2.550 7.386 -2.360 1.00 0.00 N ATOM 514 CA CYS A 37 -2.704 8.437 -3.360 1.00 0.00 C ATOM 515 C CYS A 37 -2.061 8.029 -4.681 1.00 0.00 C ATOM 516 O CYS A 37 -2.579 8.333 -5.755 1.00 0.00 O ATOM 517 CB CYS A 37 -2.083 9.741 -2.858 1.00 0.00 C ATOM 518 SG CYS A 37 -2.740 11.226 -3.654 1.00 0.00 S ATOM 0 H CYS A 37 -1.696 7.452 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.770 8.591 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.244 9.817 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.005 9.703 -3.017 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.155 12.277 -3.162 1.00 0.00 H new ATOM 524 N GLY A 38 -0.929 7.338 -4.594 1.00 0.00 N ATOM 525 CA GLY A 38 -0.233 6.901 -5.790 1.00 0.00 C ATOM 526 C GLY A 38 0.436 8.046 -6.523 1.00 0.00 C ATOM 527 O GLY A 38 0.975 7.864 -7.615 1.00 0.00 O ATOM 0 H GLY A 38 -0.481 7.073 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.518 6.159 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.940 6.409 -6.459 1.00 0.00 H new ATOM 531 N ALA A 39 0.401 9.232 -5.923 1.00 0.00 N ATOM 532 CA ALA A 39 1.009 10.411 -6.526 1.00 0.00 C ATOM 533 C ALA A 39 2.441 10.602 -6.037 1.00 0.00 C ATOM 534 O ALA A 39 2.766 10.279 -4.894 1.00 0.00 O ATOM 535 CB ALA A 39 0.177 11.648 -6.221 1.00 0.00 C ATOM 0 H ALA A 39 -0.042 9.401 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 39 1.038 10.262 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.643 12.521 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.827 11.520 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.119 11.790 -5.142 1.00 0.00 H new ATOM 541 N VAL A 40 3.295 11.127 -6.910 1.00 0.00 N ATOM 542 CA VAL A 40 4.692 11.361 -6.567 1.00 0.00 C ATOM 543 C VAL A 40 5.200 12.660 -7.183 1.00 0.00 C ATOM 544 O VAL A 40 5.057 12.886 -8.384 1.00 0.00 O ATOM 545 CB VAL A 40 5.587 10.199 -7.037 1.00 0.00 C ATOM 546 CG1 VAL A 40 5.413 8.990 -6.131 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.279 9.840 -8.483 1.00 0.00 C ATOM 0 H VAL A 40 3.043 11.398 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 40 4.743 11.434 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 40 6.627 10.519 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.053 8.179 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.688 9.257 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.373 8.666 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.921 9.017 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.235 9.539 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.461 10.706 -9.119 1.00 0.00 H new ATOM 557 N MET A 41 5.792 13.511 -6.351 1.00 0.00 N ATOM 558 CA MET A 41 6.323 14.787 -6.814 1.00 0.00 C ATOM 559 C MET A 41 7.847 14.800 -6.747 1.00 0.00 C ATOM 560 O MET A 41 8.430 14.882 -5.666 1.00 0.00 O ATOM 561 CB MET A 41 5.754 15.934 -5.977 1.00 0.00 C ATOM 562 CG MET A 41 4.286 16.217 -6.251 1.00 0.00 C ATOM 563 SD MET A 41 4.041 17.664 -7.299 1.00 0.00 S ATOM 564 CE MET A 41 2.984 18.663 -6.254 1.00 0.00 C ATOM 0 H MET A 41 5.916 13.340 -5.353 1.00 0.00 H new ATOM 0 HA MET A 41 6.023 14.921 -7.853 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.879 15.698 -4.920 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.332 16.837 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.835 15.347 -6.728 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.766 16.366 -5.305 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.294 19.706 -6.314 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.951 18.571 -6.588 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.063 18.320 -5.222 1.00 0.00 H new ATOM 574 N LYS A 42 8.487 14.717 -7.908 1.00 0.00 N ATOM 575 CA LYS A 42 9.943 14.719 -7.982 1.00 0.00 C ATOM 576 C LYS A 42 10.461 16.068 -8.471 1.00 0.00 C ATOM 577 O LYS A 42 10.188 16.477 -9.601 1.00 0.00 O ATOM 578 CB LYS A 42 10.429 13.606 -8.913 1.00 0.00 C ATOM 579 CG LYS A 42 9.899 12.231 -8.546 1.00 0.00 C ATOM 580 CD LYS A 42 10.826 11.129 -9.029 1.00 0.00 C ATOM 581 CE LYS A 42 12.132 11.117 -8.249 1.00 0.00 C ATOM 582 NZ LYS A 42 12.441 9.766 -7.704 1.00 0.00 N ATOM 0 H LYS A 42 8.020 14.647 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 42 10.333 14.541 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.129 13.841 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.519 13.582 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.783 12.162 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.910 12.093 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.330 10.164 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.036 11.267 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.945 11.441 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.072 11.834 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.338 9.800 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.677 9.467 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.523 9.086 -8.487 1.00 0.00 H new ATOM 596 N LEU A 43 11.209 16.755 -7.615 1.00 0.00 N ATOM 597 CA LEU A 43 11.767 18.058 -7.961 1.00 0.00 C ATOM 598 C LEU A 43 13.209 18.178 -7.479 1.00 0.00 C ATOM 599 O LEU A 43 13.637 17.450 -6.583 1.00 0.00 O ATOM 600 CB LEU A 43 10.919 19.176 -7.352 1.00 0.00 C ATOM 601 CG LEU A 43 9.728 19.646 -8.187 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.634 18.589 -8.200 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.190 20.966 -7.654 1.00 0.00 C ATOM 0 H LEU A 43 11.443 16.432 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 43 11.757 18.153 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.548 18.837 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.565 20.033 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 43 10.067 19.802 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.795 18.942 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.024 17.666 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.298 18.401 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.343 21.285 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.868 20.837 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.973 21.723 -7.698 1.00 0.00 H new ATOM 615 N GLN A 44 13.953 19.103 -8.078 1.00 0.00 N ATOM 616 CA GLN A 44 15.347 19.319 -7.708 1.00 0.00 C ATOM 617 C GLN A 44 15.692 20.804 -7.734 1.00 0.00 C ATOM 618 O GLN A 44 15.140 21.566 -8.528 1.00 0.00 O ATOM 619 CB GLN A 44 16.272 18.551 -8.654 1.00 0.00 C ATOM 620 CG GLN A 44 16.422 19.201 -10.020 1.00 0.00 C ATOM 621 CD GLN A 44 17.714 19.982 -10.156 1.00 0.00 C ATOM 622 OE1 GLN A 44 18.096 20.734 -9.259 1.00 0.00 O ATOM 623 NE2 GLN A 44 18.396 19.807 -11.282 1.00 0.00 N ATOM 0 H GLN A 44 13.614 19.714 -8.821 1.00 0.00 H new ATOM 0 HA GLN A 44 15.490 18.949 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 44 17.256 18.462 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.887 17.539 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.385 18.431 -10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.578 19.868 -10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.042 19.174 -11.999 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.273 20.306 -11.430 1.00 0.00 H new ATOM 632 N ILE A 45 16.609 21.208 -6.862 1.00 0.00 N ATOM 633 CA ILE A 45 17.029 22.602 -6.786 1.00 0.00 C ATOM 634 C ILE A 45 18.538 22.732 -6.962 1.00 0.00 C ATOM 635 O ILE A 45 19.264 21.738 -6.952 1.00 0.00 O ATOM 636 CB ILE A 45 16.623 23.240 -5.444 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.448 22.644 -4.301 1.00 0.00 C ATOM 638 CG2 ILE A 45 15.136 23.041 -5.191 1.00 0.00 C ATOM 639 CD1 ILE A 45 17.071 23.184 -2.939 1.00 0.00 C ATOM 0 H ILE A 45 17.076 20.590 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 45 16.525 23.128 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 45 16.823 24.310 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.324 21.561 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.504 22.844 -4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.865 23.497 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.565 23.508 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.912 21.975 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.696 22.718 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.221 24.263 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.024 22.960 -2.736 1.00 0.00 H new ATOM 651 N LYS A 46 19.005 23.966 -7.121 1.00 0.00 N ATOM 652 CA LYS A 46 20.429 24.229 -7.296 1.00 0.00 C ATOM 653 C LYS A 46 20.861 25.446 -6.485 1.00 0.00 C ATOM 654 O LYS A 46 20.367 26.554 -6.698 1.00 0.00 O ATOM 655 CB LYS A 46 20.750 24.448 -8.776 1.00 0.00 C ATOM 656 CG LYS A 46 22.180 24.096 -9.147 1.00 0.00 C ATOM 657 CD LYS A 46 23.136 25.231 -8.821 1.00 0.00 C ATOM 658 CE LYS A 46 24.580 24.841 -9.098 1.00 0.00 C ATOM 659 NZ LYS A 46 25.208 25.727 -10.117 1.00 0.00 N ATOM 0 H LYS A 46 18.418 24.800 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 46 20.981 23.361 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.069 23.848 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.564 25.492 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.485 23.197 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.235 23.867 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.875 26.109 -9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.028 25.509 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.153 24.889 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.617 23.808 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 26.191 25.429 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.676 25.662 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.196 26.710 -9.777 1.00 0.00 H new ATOM 673 N VAL A 47 21.787 25.234 -5.555 1.00 0.00 N ATOM 674 CA VAL A 47 22.288 26.315 -4.714 1.00 0.00 C ATOM 675 C VAL A 47 23.650 26.801 -5.197 1.00 0.00 C ATOM 676 O VAL A 47 24.478 26.010 -5.648 1.00 0.00 O ATOM 677 CB VAL A 47 22.404 25.874 -3.243 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.724 27.064 -2.352 1.00 0.00 C ATOM 679 CG2 VAL A 47 21.123 25.188 -2.791 1.00 0.00 C ATOM 0 H VAL A 47 22.205 24.323 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 47 21.569 27.131 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 47 23.222 25.158 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.802 26.733 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.670 27.508 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.930 27.806 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 47 21.222 24.883 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 47 20.286 25.879 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.942 24.310 -3.411 1.00 0.00 H new ATOM 689 N ASN A 48 23.876 28.107 -5.097 1.00 0.00 N ATOM 690 CA ASN A 48 25.139 28.698 -5.523 1.00 0.00 C ATOM 691 C ASN A 48 26.039 28.983 -4.324 1.00 0.00 C ATOM 692 O ASN A 48 25.736 28.584 -3.200 1.00 0.00 O ATOM 693 CB ASN A 48 24.884 29.991 -6.301 1.00 0.00 C ATOM 694 CG ASN A 48 24.757 31.198 -5.392 1.00 0.00 C ATOM 695 OD1 ASN A 48 25.647 32.047 -5.342 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.648 31.278 -4.667 1.00 0.00 N ATOM 0 H ASN A 48 23.201 28.776 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 48 25.644 27.984 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.699 30.155 -7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.972 29.884 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.507 32.067 -4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.937 30.551 -4.741 1.00 0.00 H new ATOM 703 N ASP A 49 27.145 29.674 -4.573 1.00 0.00 N ATOM 704 CA ASP A 49 28.089 30.014 -3.515 1.00 0.00 C ATOM 705 C ASP A 49 27.400 30.805 -2.406 1.00 0.00 C ATOM 706 O ASP A 49 27.560 30.502 -1.224 1.00 0.00 O ATOM 707 CB ASP A 49 29.258 30.820 -4.083 1.00 0.00 C ATOM 708 CG ASP A 49 30.240 29.955 -4.848 1.00 0.00 C ATOM 709 OD1 ASP A 49 31.059 29.271 -4.200 1.00 0.00 O ATOM 710 OD2 ASP A 49 30.189 29.962 -6.096 1.00 0.00 O ATOM 0 H ASP A 49 27.410 30.010 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 49 28.471 29.085 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.873 31.598 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.779 31.322 -3.268 1.00 0.00 H new ATOM 715 N GLU A 50 26.637 31.820 -2.798 1.00 0.00 N ATOM 716 CA GLU A 50 25.926 32.655 -1.836 1.00 0.00 C ATOM 717 C GLU A 50 25.104 31.800 -0.876 1.00 0.00 C ATOM 718 O GLU A 50 25.184 31.963 0.341 1.00 0.00 O ATOM 719 CB GLU A 50 25.014 33.645 -2.563 1.00 0.00 C ATOM 720 CG GLU A 50 25.176 35.081 -2.093 1.00 0.00 C ATOM 721 CD GLU A 50 25.800 35.974 -3.147 1.00 0.00 C ATOM 722 OE1 GLU A 50 25.069 36.419 -4.057 1.00 0.00 O ATOM 723 OE2 GLU A 50 27.020 36.227 -3.063 1.00 0.00 O ATOM 0 H GLU A 50 26.495 32.084 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 50 26.666 33.210 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.219 33.596 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.977 33.341 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 50 24.201 35.480 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.795 35.098 -1.196 1.00 0.00 H new ATOM 730 N GLY A 51 24.312 30.889 -1.434 1.00 0.00 N ATOM 731 CA GLY A 51 23.486 30.022 -0.613 1.00 0.00 C ATOM 732 C GLY A 51 22.008 30.178 -0.912 1.00 0.00 C ATOM 733 O GLY A 51 21.163 29.885 -0.066 1.00 0.00 O ATOM 0 H GLY A 51 24.228 30.736 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.779 28.985 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.666 30.243 0.439 1.00 0.00 H new ATOM 737 N ILE A 52 21.695 30.642 -2.117 1.00 0.00 N ATOM 738 CA ILE A 52 20.309 30.836 -2.524 1.00 0.00 C ATOM 739 C ILE A 52 19.994 30.052 -3.794 1.00 0.00 C ATOM 740 O ILE A 52 20.823 29.960 -4.700 1.00 0.00 O ATOM 741 CB ILE A 52 19.996 32.325 -2.762 1.00 0.00 C ATOM 742 CG1 ILE A 52 19.940 33.076 -1.431 1.00 0.00 C ATOM 743 CG2 ILE A 52 18.684 32.476 -3.517 1.00 0.00 C ATOM 744 CD1 ILE A 52 21.273 33.651 -1.005 1.00 0.00 C ATOM 0 H ILE A 52 22.382 30.891 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 52 19.686 30.468 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 52 20.793 32.756 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.213 33.884 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 52 19.581 32.399 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 52 18.476 33.534 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.758 31.970 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 17.876 32.032 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.158 34.170 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.998 32.845 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 52 21.624 34.353 -1.761 1.00 0.00 H new ATOM 756 N ILE A 53 18.791 29.491 -3.852 1.00 0.00 N ATOM 757 CA ILE A 53 18.365 28.718 -5.012 1.00 0.00 C ATOM 758 C ILE A 53 18.365 29.574 -6.274 1.00 0.00 C ATOM 759 O ILE A 53 17.678 30.593 -6.343 1.00 0.00 O ATOM 760 CB ILE A 53 16.959 28.124 -4.808 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.919 27.279 -3.533 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.556 27.290 -6.015 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.974 26.195 -3.493 1.00 0.00 C ATOM 0 H ILE A 53 18.094 29.557 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 53 19.081 27.904 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 53 16.247 28.942 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.048 27.932 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.935 26.820 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.560 26.877 -5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.550 27.918 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.269 26.476 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.886 25.636 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.833 25.519 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.964 26.648 -3.553 1.00 0.00 H new ATOM 775 N GLU A 54 19.138 29.153 -7.269 1.00 0.00 N ATOM 776 CA GLU A 54 19.226 29.881 -8.529 1.00 0.00 C ATOM 777 C GLU A 54 18.646 29.058 -9.676 1.00 0.00 C ATOM 778 O GLU A 54 18.279 29.598 -10.719 1.00 0.00 O ATOM 779 CB GLU A 54 20.680 30.246 -8.833 1.00 0.00 C ATOM 780 CG GLU A 54 20.886 30.815 -10.227 1.00 0.00 C ATOM 781 CD GLU A 54 22.279 31.380 -10.427 1.00 0.00 C ATOM 782 OE1 GLU A 54 22.630 32.353 -9.727 1.00 0.00 O ATOM 783 OE2 GLU A 54 23.018 30.850 -11.282 1.00 0.00 O ATOM 0 H GLU A 54 19.713 28.311 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 54 18.642 30.796 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.024 30.974 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.301 29.358 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.706 30.033 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.151 31.599 -10.408 1.00 0.00 H new ATOM 790 N ASP A 55 18.568 27.747 -9.474 1.00 0.00 N ATOM 791 CA ASP A 55 18.033 26.847 -10.489 1.00 0.00 C ATOM 792 C ASP A 55 17.064 25.845 -9.871 1.00 0.00 C ATOM 793 O ASP A 55 17.293 25.342 -8.771 1.00 0.00 O ATOM 794 CB ASP A 55 19.170 26.107 -11.196 1.00 0.00 C ATOM 795 CG ASP A 55 18.950 26.001 -12.692 1.00 0.00 C ATOM 796 OD1 ASP A 55 17.915 25.435 -13.100 1.00 0.00 O ATOM 797 OD2 ASP A 55 19.814 26.484 -13.454 1.00 0.00 O ATOM 0 H ASP A 55 18.869 27.284 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 55 17.490 27.446 -11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.110 26.625 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.266 25.107 -10.774 1.00 0.00 H new ATOM 802 N ALA A 56 15.980 25.560 -10.585 1.00 0.00 N ATOM 803 CA ALA A 56 14.976 24.617 -10.107 1.00 0.00 C ATOM 804 C ALA A 56 14.488 23.715 -11.235 1.00 0.00 C ATOM 805 O ALA A 56 13.848 24.177 -12.180 1.00 0.00 O ATOM 806 CB ALA A 56 13.807 25.362 -9.482 1.00 0.00 C ATOM 0 H ALA A 56 15.775 25.969 -11.497 1.00 0.00 H new ATOM 0 HA ALA A 56 15.439 23.987 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.065 24.645 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.163 25.958 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.354 26.017 -10.226 1.00 0.00 H new ATOM 812 N ARG A 57 14.796 22.426 -11.132 1.00 0.00 N ATOM 813 CA ARG A 57 14.390 21.460 -12.145 1.00 0.00 C ATOM 814 C ARG A 57 13.392 20.458 -11.573 1.00 0.00 C ATOM 815 O ARG A 57 13.163 20.415 -10.364 1.00 0.00 O ATOM 816 CB ARG A 57 15.612 20.721 -12.694 1.00 0.00 C ATOM 817 CG ARG A 57 15.827 20.924 -14.185 1.00 0.00 C ATOM 818 CD ARG A 57 16.514 22.250 -14.474 1.00 0.00 C ATOM 819 NE ARG A 57 16.023 22.863 -15.706 1.00 0.00 N ATOM 820 CZ ARG A 57 16.429 22.503 -16.918 1.00 0.00 C ATOM 821 NH1 ARG A 57 17.327 21.538 -17.061 1.00 0.00 N ATOM 822 NH2 ARG A 57 15.936 23.109 -17.991 1.00 0.00 N ATOM 0 H ARG A 57 15.325 22.027 -10.357 1.00 0.00 H new ATOM 0 HA ARG A 57 13.907 22.004 -12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.500 21.057 -12.158 1.00 0.00 H new ATOM 0 HB3 ARG A 57 15.502 19.655 -12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.430 20.107 -14.581 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.867 20.891 -14.700 1.00 0.00 H new ATOM 0 HD2 ARG A 57 16.351 22.932 -13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 57 17.590 22.092 -14.551 1.00 0.00 H new ATOM 0 HE ARG A 57 15.331 23.608 -15.631 1.00 0.00 H new ATOM 0 HH11 ARG A 57 17.708 21.070 -16.239 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.637 21.264 -17.993 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.245 23.852 -17.885 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.248 22.832 -18.922 1.00 0.00 H new ATOM 836 N PHE A 58 12.800 19.653 -12.449 1.00 0.00 N ATOM 837 CA PHE A 58 11.825 18.653 -12.031 1.00 0.00 C ATOM 838 C PHE A 58 11.643 17.587 -13.109 1.00 0.00 C ATOM 839 O PHE A 58 12.232 17.671 -14.187 1.00 0.00 O ATOM 840 CB PHE A 58 10.481 19.317 -11.723 1.00 0.00 C ATOM 841 CG PHE A 58 9.750 19.786 -12.948 1.00 0.00 C ATOM 842 CD1 PHE A 58 10.175 20.911 -13.636 1.00 0.00 C ATOM 843 CD2 PHE A 58 8.636 19.104 -13.410 1.00 0.00 C ATOM 844 CE1 PHE A 58 9.505 21.346 -14.764 1.00 0.00 C ATOM 845 CE2 PHE A 58 7.962 19.534 -14.537 1.00 0.00 C ATOM 846 CZ PHE A 58 8.396 20.657 -15.214 1.00 0.00 C ATOM 0 H PHE A 58 12.979 19.674 -13.453 1.00 0.00 H new ATOM 0 HA PHE A 58 12.200 18.172 -11.128 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.851 18.611 -11.182 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.648 20.167 -11.061 1.00 0.00 H new ATOM 0 HD1 PHE A 58 11.040 21.455 -13.287 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.291 18.227 -12.883 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.848 22.223 -15.292 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.096 18.992 -14.888 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.869 20.996 -16.094 1.00 0.00 H new ATOM 856 N LYS A 59 10.824 16.585 -12.809 1.00 0.00 N ATOM 857 CA LYS A 59 10.562 15.503 -13.750 1.00 0.00 C ATOM 858 C LYS A 59 9.108 15.050 -13.668 1.00 0.00 C ATOM 859 O LYS A 59 8.475 15.145 -12.616 1.00 0.00 O ATOM 860 CB LYS A 59 11.492 14.320 -13.469 1.00 0.00 C ATOM 861 CG LYS A 59 12.637 14.197 -14.460 1.00 0.00 C ATOM 862 CD LYS A 59 12.430 13.030 -15.410 1.00 0.00 C ATOM 863 CE LYS A 59 13.104 13.277 -16.751 1.00 0.00 C ATOM 864 NZ LYS A 59 12.772 12.216 -17.742 1.00 0.00 N ATOM 0 H LYS A 59 10.330 16.500 -11.921 1.00 0.00 H new ATOM 0 HA LYS A 59 10.751 15.876 -14.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.902 14.422 -12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.909 13.399 -13.484 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.725 15.121 -15.031 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.574 14.065 -13.920 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.830 12.120 -14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.363 12.868 -15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.794 14.247 -17.140 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.184 13.319 -16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.250 12.420 -18.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.090 11.293 -17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.743 12.192 -17.894 1.00 0.00 H new ATOM 978 N ALA A 68 0.547 23.307 -12.921 1.00 0.00 N ATOM 979 CA ALA A 68 0.494 24.494 -12.077 1.00 0.00 C ATOM 980 C ALA A 68 1.001 24.191 -10.671 1.00 0.00 C ATOM 981 O ALA A 68 1.883 24.879 -10.157 1.00 0.00 O ATOM 982 CB ALA A 68 -0.926 25.039 -12.022 1.00 0.00 C ATOM 0 HA ALA A 68 1.145 25.250 -12.515 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.951 25.925 -11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.254 25.302 -13.028 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.591 24.280 -11.611 1.00 0.00 H new ATOM 988 N SER A 69 0.437 23.158 -10.054 1.00 0.00 N ATOM 989 CA SER A 69 0.830 22.767 -8.705 1.00 0.00 C ATOM 990 C SER A 69 2.348 22.702 -8.578 1.00 0.00 C ATOM 991 O SER A 69 2.916 23.108 -7.564 1.00 0.00 O ATOM 992 CB SER A 69 0.218 21.411 -8.346 1.00 0.00 C ATOM 993 OG SER A 69 -1.137 21.338 -8.755 1.00 0.00 O ATOM 0 H SER A 69 -0.293 22.577 -10.466 1.00 0.00 H new ATOM 0 HA SER A 69 0.457 23.521 -8.012 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.788 20.614 -8.823 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.285 21.252 -7.270 1.00 0.00 H new ATOM 0 HG SER A 69 -1.504 20.461 -8.516 1.00 0.00 H new ATOM 999 N SER A 70 3.001 22.189 -9.616 1.00 0.00 N ATOM 1000 CA SER A 70 4.454 22.066 -9.620 1.00 0.00 C ATOM 1001 C SER A 70 5.106 23.357 -10.108 1.00 0.00 C ATOM 1002 O SER A 70 6.248 23.658 -9.760 1.00 0.00 O ATOM 1003 CB SER A 70 4.886 20.897 -10.507 1.00 0.00 C ATOM 1004 OG SER A 70 5.339 21.354 -11.770 1.00 0.00 O ATOM 0 H SER A 70 2.547 21.852 -10.465 1.00 0.00 H new ATOM 0 HA SER A 70 4.781 21.877 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.680 20.336 -10.014 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.049 20.212 -10.644 1.00 0.00 H new ATOM 0 HG SER A 70 5.611 20.588 -12.317 1.00 0.00 H new ATOM 1010 N SER A 71 4.372 24.115 -10.915 1.00 0.00 N ATOM 1011 CA SER A 71 4.879 25.372 -11.455 1.00 0.00 C ATOM 1012 C SER A 71 5.051 26.407 -10.348 1.00 0.00 C ATOM 1013 O SER A 71 6.098 27.048 -10.238 1.00 0.00 O ATOM 1014 CB SER A 71 3.932 25.909 -12.529 1.00 0.00 C ATOM 1015 OG SER A 71 4.353 27.181 -12.990 1.00 0.00 O ATOM 0 H SER A 71 3.424 23.881 -11.210 1.00 0.00 H new ATOM 0 HA SER A 71 5.853 25.180 -11.904 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.892 25.211 -13.365 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.922 25.981 -12.125 1.00 0.00 H new ATOM 0 HG SER A 71 3.732 27.502 -13.677 1.00 0.00 H new ATOM 1021 N LEU A 72 4.017 26.567 -9.530 1.00 0.00 N ATOM 1022 CA LEU A 72 4.052 27.525 -8.430 1.00 0.00 C ATOM 1023 C LEU A 72 5.213 27.229 -7.486 1.00 0.00 C ATOM 1024 O LEU A 72 6.016 28.109 -7.177 1.00 0.00 O ATOM 1025 CB LEU A 72 2.732 27.493 -7.658 1.00 0.00 C ATOM 1026 CG LEU A 72 2.205 26.107 -7.286 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.531 25.784 -5.836 1.00 0.00 C ATOM 1028 CD2 LEU A 72 0.705 26.024 -7.528 1.00 0.00 C ATOM 0 H LEU A 72 3.144 26.046 -9.607 1.00 0.00 H new ATOM 0 HA LEU A 72 4.196 28.520 -8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.856 28.070 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.973 28.000 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 72 2.697 25.370 -7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.148 24.794 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.611 25.801 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.067 26.525 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.347 25.030 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.196 26.771 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.495 26.211 -8.581 1.00 0.00 H new ATOM 1040 N VAL A 73 5.298 25.982 -7.033 1.00 0.00 N ATOM 1041 CA VAL A 73 6.363 25.568 -6.127 1.00 0.00 C ATOM 1042 C VAL A 73 7.734 25.790 -6.755 1.00 0.00 C ATOM 1043 O VAL A 73 8.668 26.243 -6.091 1.00 0.00 O ATOM 1044 CB VAL A 73 6.222 24.085 -5.737 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.994 23.876 -4.865 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.159 23.211 -6.980 1.00 0.00 C ATOM 0 H VAL A 73 4.642 25.241 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 73 6.274 26.181 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 73 7.100 23.794 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.911 22.822 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.086 24.473 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.103 24.183 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.059 22.166 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.300 23.501 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.072 23.339 -7.561 1.00 0.00 H new ATOM 1056 N THR A 74 7.851 25.467 -8.039 1.00 0.00 N ATOM 1057 CA THR A 74 9.109 25.630 -8.757 1.00 0.00 C ATOM 1058 C THR A 74 9.482 27.102 -8.886 1.00 0.00 C ATOM 1059 O THR A 74 10.628 27.484 -8.655 1.00 0.00 O ATOM 1060 CB THR A 74 9.038 25.005 -10.163 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.823 25.396 -10.812 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.112 23.488 -10.086 1.00 0.00 C ATOM 0 H THR A 74 7.089 25.091 -8.603 1.00 0.00 H new ATOM 0 HA THR A 74 9.874 25.114 -8.176 1.00 0.00 H new ATOM 0 HB THR A 74 9.890 25.365 -10.740 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.398 26.118 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.060 23.070 -11.091 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.051 23.193 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.278 23.113 -9.493 1.00 0.00 H new ATOM 1070 N GLU A 75 8.505 27.925 -9.256 1.00 0.00 N ATOM 1071 CA GLU A 75 8.733 29.357 -9.415 1.00 0.00 C ATOM 1072 C GLU A 75 9.035 30.013 -8.070 1.00 0.00 C ATOM 1073 O GLU A 75 9.734 31.024 -8.004 1.00 0.00 O ATOM 1074 CB GLU A 75 7.513 30.022 -10.057 1.00 0.00 C ATOM 1075 CG GLU A 75 7.097 29.388 -11.374 1.00 0.00 C ATOM 1076 CD GLU A 75 7.593 30.167 -12.577 1.00 0.00 C ATOM 1077 OE1 GLU A 75 6.888 31.103 -13.009 1.00 0.00 O ATOM 1078 OE2 GLU A 75 8.685 29.840 -13.087 1.00 0.00 O ATOM 0 H GLU A 75 7.550 27.625 -9.451 1.00 0.00 H new ATOM 0 HA GLU A 75 9.596 29.491 -10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.676 29.975 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.731 31.077 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.483 28.370 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.010 29.319 -11.413 1.00 0.00 H new ATOM 1085 N TRP A 76 8.503 29.430 -7.002 1.00 0.00 N ATOM 1086 CA TRP A 76 8.715 29.957 -5.659 1.00 0.00 C ATOM 1087 C TRP A 76 10.134 29.674 -5.180 1.00 0.00 C ATOM 1088 O TRP A 76 10.774 30.527 -4.565 1.00 0.00 O ATOM 1089 CB TRP A 76 7.704 29.350 -4.685 1.00 0.00 C ATOM 1090 CG TRP A 76 6.525 30.237 -4.422 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.207 29.915 -4.572 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.559 31.594 -3.965 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.418 30.989 -4.235 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.224 32.031 -3.859 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.586 32.481 -3.634 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 4.893 33.316 -3.437 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.256 33.756 -3.215 1.00 0.00 C ATOM 1098 CH2 TRP A 76 5.919 34.164 -3.119 1.00 0.00 C ATOM 0 H TRP A 76 7.922 28.593 -7.040 1.00 0.00 H new ATOM 0 HA TRP A 76 8.572 31.037 -5.693 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.352 28.399 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.204 29.134 -3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.838 28.957 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.398 31.007 -4.261 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.620 32.176 -3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.863 33.632 -3.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.042 34.450 -2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.694 35.167 -2.788 1.00 0.00 H new ATOM 1109 N VAL A 77 10.621 28.470 -5.466 1.00 0.00 N ATOM 1110 CA VAL A 77 11.966 28.075 -5.065 1.00 0.00 C ATOM 1111 C VAL A 77 13.017 28.705 -5.972 1.00 0.00 C ATOM 1112 O VAL A 77 14.125 29.016 -5.535 1.00 0.00 O ATOM 1113 CB VAL A 77 12.133 26.544 -5.091 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.212 25.889 -4.073 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.866 26.004 -6.488 1.00 0.00 C ATOM 0 H VAL A 77 10.104 27.752 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 77 12.109 28.431 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 77 13.162 26.303 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.344 24.808 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.455 26.254 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.176 26.135 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.988 24.921 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.848 26.255 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.570 26.449 -7.191 1.00 0.00 H new ATOM 1125 N LYS A 78 12.662 28.892 -7.239 1.00 0.00 N ATOM 1126 CA LYS A 78 13.573 29.487 -8.210 1.00 0.00 C ATOM 1127 C LYS A 78 13.912 30.924 -7.828 1.00 0.00 C ATOM 1128 O LYS A 78 13.196 31.858 -8.189 1.00 0.00 O ATOM 1129 CB LYS A 78 12.954 29.452 -9.609 1.00 0.00 C ATOM 1130 CG LYS A 78 13.532 28.368 -10.503 1.00 0.00 C ATOM 1131 CD LYS A 78 13.912 28.915 -11.868 1.00 0.00 C ATOM 1132 CE LYS A 78 13.367 28.044 -12.989 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.019 28.492 -13.434 1.00 0.00 N ATOM 0 H LYS A 78 11.749 28.640 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 78 14.494 28.904 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.878 29.301 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.100 30.421 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.411 27.933 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.803 27.566 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.528 29.929 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.997 28.975 -11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.055 28.068 -13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.313 27.009 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.682 27.873 -14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.356 28.446 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.075 29.471 -13.780 1.00 0.00 H new ATOM 1147 N GLY A 79 15.009 31.095 -7.097 1.00 0.00 N ATOM 1148 CA GLY A 79 15.424 32.422 -6.680 1.00 0.00 C ATOM 1149 C GLY A 79 15.033 32.728 -5.248 1.00 0.00 C ATOM 1150 O GLY A 79 14.606 33.840 -4.936 1.00 0.00 O ATOM 0 H GLY A 79 15.618 30.338 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.505 32.511 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.977 33.164 -7.342 1.00 0.00 H new ATOM 1154 N LYS A 80 15.178 31.739 -4.372 1.00 0.00 N ATOM 1155 CA LYS A 80 14.837 31.907 -2.964 1.00 0.00 C ATOM 1156 C LYS A 80 15.789 31.111 -2.076 1.00 0.00 C ATOM 1157 O LYS A 80 16.088 29.950 -2.354 1.00 0.00 O ATOM 1158 CB LYS A 80 13.395 31.462 -2.711 1.00 0.00 C ATOM 1159 CG LYS A 80 12.563 32.492 -1.966 1.00 0.00 C ATOM 1160 CD LYS A 80 11.645 33.254 -2.906 1.00 0.00 C ATOM 1161 CE LYS A 80 10.649 34.111 -2.140 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.447 35.437 -2.786 1.00 0.00 N ATOM 0 H LYS A 80 15.530 30.812 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 80 14.933 32.964 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.918 31.244 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.405 30.533 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.969 31.995 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.223 33.192 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.241 33.887 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.108 32.550 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.694 33.589 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.003 34.254 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.762 35.991 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.353 35.946 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.085 35.301 -3.751 1.00 0.00 H new ATOM 1176 N SER A 81 16.260 31.744 -1.006 1.00 0.00 N ATOM 1177 CA SER A 81 17.180 31.096 -0.078 1.00 0.00 C ATOM 1178 C SER A 81 16.592 29.788 0.444 1.00 0.00 C ATOM 1179 O SER A 81 15.458 29.431 0.122 1.00 0.00 O ATOM 1180 CB SER A 81 17.498 32.028 1.092 1.00 0.00 C ATOM 1181 OG SER A 81 16.367 32.204 1.927 1.00 0.00 O ATOM 0 H SER A 81 16.020 32.704 -0.760 1.00 0.00 H new ATOM 0 HA SER A 81 18.102 30.872 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.323 31.617 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.827 32.995 0.711 1.00 0.00 H new ATOM 0 HG SER A 81 16.556 32.898 2.592 1.00 0.00 H new ATOM 1187 N LEU A 82 17.371 29.079 1.253 1.00 0.00 N ATOM 1188 CA LEU A 82 16.930 27.810 1.822 1.00 0.00 C ATOM 1189 C LEU A 82 15.813 28.028 2.837 1.00 0.00 C ATOM 1190 O LEU A 82 14.789 27.345 2.805 1.00 0.00 O ATOM 1191 CB LEU A 82 18.105 27.090 2.485 1.00 0.00 C ATOM 1192 CG LEU A 82 19.427 27.114 1.717 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.519 26.415 2.513 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.262 26.464 0.351 1.00 0.00 C ATOM 0 H LEU A 82 18.311 29.361 1.530 1.00 0.00 H new ATOM 0 HA LEU A 82 16.544 27.191 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.270 27.534 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.822 26.050 2.649 1.00 0.00 H new ATOM 0 HG LEU A 82 19.721 28.153 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.453 26.442 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.655 26.923 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.232 25.379 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.213 26.490 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.945 25.429 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.510 27.007 -0.222 1.00 0.00 H new ATOM 1206 N ASP A 83 16.016 28.984 3.736 1.00 0.00 N ATOM 1207 CA ASP A 83 15.025 29.295 4.760 1.00 0.00 C ATOM 1208 C ASP A 83 13.730 29.796 4.128 1.00 0.00 C ATOM 1209 O ASP A 83 12.639 29.370 4.505 1.00 0.00 O ATOM 1210 CB ASP A 83 15.573 30.343 5.730 1.00 0.00 C ATOM 1211 CG ASP A 83 16.131 29.724 6.996 1.00 0.00 C ATOM 1212 OD1 ASP A 83 16.969 28.803 6.888 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.731 30.160 8.095 1.00 0.00 O ATOM 0 H ASP A 83 16.858 29.558 3.777 1.00 0.00 H new ATOM 0 HA ASP A 83 14.809 28.380 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.355 30.918 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.779 31.043 5.991 1.00 0.00 H new ATOM 1218 N GLU A 84 13.860 30.704 3.166 1.00 0.00 N ATOM 1219 CA GLU A 84 12.700 31.265 2.484 1.00 0.00 C ATOM 1220 C GLU A 84 11.812 30.159 1.921 1.00 0.00 C ATOM 1221 O GLU A 84 10.621 30.091 2.222 1.00 0.00 O ATOM 1222 CB GLU A 84 13.145 32.199 1.356 1.00 0.00 C ATOM 1223 CG GLU A 84 13.653 33.545 1.846 1.00 0.00 C ATOM 1224 CD GLU A 84 12.591 34.336 2.583 1.00 0.00 C ATOM 1225 OE1 GLU A 84 11.393 34.036 2.399 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.957 35.256 3.344 1.00 0.00 O ATOM 0 H GLU A 84 14.757 31.067 2.842 1.00 0.00 H new ATOM 0 HA GLU A 84 12.124 31.835 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.931 31.711 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.307 32.361 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.507 33.389 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.009 34.126 0.995 1.00 0.00 H new ATOM 1233 N ALA A 85 12.402 29.293 1.103 1.00 0.00 N ATOM 1234 CA ALA A 85 11.666 28.189 0.500 1.00 0.00 C ATOM 1235 C ALA A 85 11.129 27.240 1.566 1.00 0.00 C ATOM 1236 O ALA A 85 9.982 26.800 1.496 1.00 0.00 O ATOM 1237 CB ALA A 85 12.553 27.437 -0.481 1.00 0.00 C ATOM 0 H ALA A 85 13.387 29.335 0.843 1.00 0.00 H new ATOM 0 HA ALA A 85 10.816 28.604 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.990 26.615 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.883 28.116 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.422 27.040 0.044 1.00 0.00 H new ATOM 1243 N GLN A 86 11.966 26.928 2.550 1.00 0.00 N ATOM 1244 CA GLN A 86 11.575 26.029 3.629 1.00 0.00 C ATOM 1245 C GLN A 86 10.496 26.664 4.502 1.00 0.00 C ATOM 1246 O GLN A 86 9.860 25.987 5.309 1.00 0.00 O ATOM 1247 CB GLN A 86 12.790 25.665 4.484 1.00 0.00 C ATOM 1248 CG GLN A 86 12.663 24.320 5.180 1.00 0.00 C ATOM 1249 CD GLN A 86 13.326 24.303 6.543 1.00 0.00 C ATOM 1250 OE1 GLN A 86 14.161 23.445 6.829 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.956 25.253 7.394 1.00 0.00 N ATOM 0 H GLN A 86 12.919 27.284 2.622 1.00 0.00 H new ATOM 0 HA GLN A 86 11.169 25.121 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.678 25.656 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.941 26.441 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.608 24.071 5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.109 23.548 4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.260 25.945 7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.368 25.291 8.326 1.00 0.00 H new ATOM 1260 N ALA A 87 10.297 27.967 4.334 1.00 0.00 N ATOM 1261 CA ALA A 87 9.295 28.692 5.105 1.00 0.00 C ATOM 1262 C ALA A 87 7.916 28.571 4.464 1.00 0.00 C ATOM 1263 O ALA A 87 6.896 28.796 5.116 1.00 0.00 O ATOM 1264 CB ALA A 87 9.690 30.155 5.240 1.00 0.00 C ATOM 0 H ALA A 87 10.816 28.542 3.671 1.00 0.00 H new ATOM 0 HA ALA A 87 9.245 28.247 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.933 30.684 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.651 30.227 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.770 30.603 4.250 1.00 0.00 H new ATOM 1270 N ILE A 88 7.893 28.217 3.184 1.00 0.00 N ATOM 1271 CA ILE A 88 6.639 28.066 2.456 1.00 0.00 C ATOM 1272 C ILE A 88 5.671 27.161 3.210 1.00 0.00 C ATOM 1273 O ILE A 88 6.080 26.195 3.855 1.00 0.00 O ATOM 1274 CB ILE A 88 6.872 27.489 1.047 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.804 28.400 0.246 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.546 27.309 0.323 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.397 27.734 -0.976 1.00 0.00 C ATOM 0 H ILE A 88 8.728 28.029 2.629 1.00 0.00 H new ATOM 0 HA ILE A 88 6.205 29.062 2.365 1.00 0.00 H new ATOM 0 HB ILE A 88 7.346 26.512 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.252 29.287 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.613 28.739 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.727 26.901 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.913 26.624 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.046 28.274 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 88 9.047 28.439 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.977 26.863 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.595 27.420 -1.644 1.00 0.00 H new ATOM 1289 N LYS A 89 4.384 27.480 3.124 1.00 0.00 N ATOM 1290 CA LYS A 89 3.354 26.695 3.795 1.00 0.00 C ATOM 1291 C LYS A 89 2.358 26.129 2.788 1.00 0.00 C ATOM 1292 O LYS A 89 1.952 26.815 1.851 1.00 0.00 O ATOM 1293 CB LYS A 89 2.621 27.554 4.827 1.00 0.00 C ATOM 1294 CG LYS A 89 3.437 27.835 6.077 1.00 0.00 C ATOM 1295 CD LYS A 89 4.066 29.217 6.033 1.00 0.00 C ATOM 1296 CE LYS A 89 3.059 30.299 6.390 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.575 30.165 7.792 1.00 0.00 N ATOM 0 H LYS A 89 4.029 28.277 2.596 1.00 0.00 H new ATOM 0 HA LYS A 89 3.840 25.863 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.341 28.501 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.696 27.053 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.798 27.753 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.218 27.082 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.906 29.258 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.465 29.405 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.516 31.279 6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.212 30.246 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.221 31.084 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.807 29.464 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.358 29.853 8.401 1.00 0.00 H new ATOM 1311 N ASN A 90 1.968 24.875 2.990 1.00 0.00 N ATOM 1312 CA ASN A 90 1.018 24.218 2.099 1.00 0.00 C ATOM 1313 C ASN A 90 -0.200 25.103 1.855 1.00 0.00 C ATOM 1314 O ASN A 90 -0.683 25.218 0.728 1.00 0.00 O ATOM 1315 CB ASN A 90 0.578 22.876 2.689 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.152 23.037 4.008 1.00 0.00 C ATOM 1317 OD1 ASN A 90 0.469 23.121 5.068 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.478 23.080 3.949 1.00 0.00 N ATOM 0 H ASN A 90 2.294 24.294 3.762 1.00 0.00 H new ATOM 0 HA ASN A 90 1.514 24.042 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.071 22.365 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.453 22.242 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.023 23.186 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.951 23.007 3.048 1.00 0.00 H new ATOM 1325 N THR A 91 -0.694 25.728 2.919 1.00 0.00 N ATOM 1326 CA THR A 91 -1.856 26.602 2.822 1.00 0.00 C ATOM 1327 C THR A 91 -1.694 27.607 1.687 1.00 0.00 C ATOM 1328 O THR A 91 -2.663 27.960 1.015 1.00 0.00 O ATOM 1329 CB THR A 91 -2.097 27.365 4.138 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.249 28.207 4.012 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.885 28.207 4.505 1.00 0.00 C ATOM 0 H THR A 91 -0.307 25.645 3.859 1.00 0.00 H new ATOM 0 HA THR A 91 -2.716 25.964 2.619 1.00 0.00 H new ATOM 0 HB THR A 91 -2.266 26.635 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.397 28.688 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.079 28.737 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.016 27.560 4.629 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.690 28.929 3.712 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.465 28.064 1.479 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.175 29.028 0.424 1.00 0.00 C ATOM 1341 C ASP A 92 -0.299 28.380 -0.952 1.00 0.00 C ATOM 1342 O ASP A 92 -0.791 28.998 -1.897 1.00 0.00 O ATOM 1343 CB ASP A 92 1.228 29.608 0.604 1.00 0.00 C ATOM 1344 CG ASP A 92 1.204 31.072 0.996 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.665 31.885 0.217 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.724 31.404 2.082 1.00 0.00 O ATOM 0 H ASP A 92 0.348 27.782 2.027 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.904 29.835 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.758 29.039 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.787 29.493 -0.324 1.00 0.00 H new ATOM 1351 N ILE A 93 0.151 27.135 -1.057 1.00 0.00 N ATOM 1352 CA ILE A 93 0.091 26.404 -2.317 1.00 0.00 C ATOM 1353 C ILE A 93 -1.336 25.968 -2.631 1.00 0.00 C ATOM 1354 O ILE A 93 -1.751 25.955 -3.790 1.00 0.00 O ATOM 1355 CB ILE A 93 1.002 25.163 -2.292 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.470 25.582 -2.185 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.777 24.316 -3.536 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.905 25.904 -0.773 1.00 0.00 C ATOM 0 H ILE A 93 0.562 26.611 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 93 0.440 27.084 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 93 0.750 24.564 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.097 24.781 -2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.637 26.455 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.428 23.442 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.263 23.992 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.005 24.906 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.956 26.193 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.303 26.726 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.770 25.026 -0.142 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.083 25.612 -1.591 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.465 25.178 -1.756 1.00 0.00 C ATOM 1372 C ALA A 94 -4.323 26.292 -2.346 1.00 0.00 C ATOM 1373 O ALA A 94 -5.080 26.070 -3.290 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.036 24.720 -0.423 1.00 0.00 C ATOM 0 H ALA A 94 -1.754 25.616 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.476 24.339 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.068 24.399 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.445 23.888 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.005 25.545 0.289 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.199 27.490 -1.783 1.00 0.00 N ATOM 1381 CA GLU A 95 -4.965 28.638 -2.254 1.00 0.00 C ATOM 1382 C GLU A 95 -4.382 29.185 -3.554 1.00 0.00 C ATOM 1383 O GLU A 95 -5.082 29.825 -4.339 1.00 0.00 O ATOM 1384 CB GLU A 95 -4.986 29.737 -1.190 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.637 29.309 0.114 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.148 29.430 0.079 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.793 28.625 -0.624 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.686 30.331 0.756 1.00 0.00 O ATOM 0 H GLU A 95 -3.576 27.691 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.986 28.307 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.963 30.055 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.517 30.603 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.364 28.276 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.246 29.919 0.928 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.097 28.928 -3.774 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.420 29.395 -4.978 1.00 0.00 C ATOM 1397 C GLU A 96 -3.070 28.812 -6.229 1.00 0.00 C ATOM 1398 O GLU A 96 -3.358 29.532 -7.187 1.00 0.00 O ATOM 1399 CB GLU A 96 -0.938 29.016 -4.937 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.022 30.177 -4.585 1.00 0.00 C ATOM 1401 CD GLU A 96 -0.225 31.375 -5.492 1.00 0.00 C ATOM 1402 OE1 GLU A 96 0.008 31.243 -6.712 1.00 0.00 O ATOM 1403 OE2 GLU A 96 -0.617 32.445 -4.982 1.00 0.00 O ATOM 0 H GLU A 96 -2.504 28.399 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.509 30.481 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.796 28.218 -4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.647 28.616 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.199 30.474 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.015 29.849 -4.649 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.299 27.504 -6.215 1.00 0.00 N ATOM 1411 CA LEU A 97 -3.915 26.822 -7.348 1.00 0.00 C ATOM 1412 C LEU A 97 -5.376 26.492 -7.057 1.00 0.00 C ATOM 1413 O LEU A 97 -6.094 25.996 -7.923 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.147 25.541 -7.677 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.573 25.447 -9.092 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -3.687 25.247 -10.107 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.765 26.693 -9.423 1.00 0.00 C ATOM 0 H LEU A 97 -3.067 26.894 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.877 27.492 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.327 25.440 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.812 24.692 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.908 24.584 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.260 25.182 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.224 24.326 -9.881 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.377 26.090 -10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.364 26.609 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.408 27.571 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.943 26.793 -8.714 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.807 26.773 -5.831 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.183 26.507 -5.427 1.00 0.00 C ATOM 1431 C GLU A 98 -7.573 25.066 -5.741 1.00 0.00 C ATOM 1432 O GLU A 98 -8.554 24.815 -6.443 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.140 27.471 -6.130 1.00 0.00 C ATOM 1434 CG GLU A 98 -7.919 28.928 -5.757 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.219 29.679 -5.543 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -9.793 29.569 -4.439 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.661 30.377 -6.479 1.00 0.00 O ATOM 0 H GLU A 98 -5.224 27.184 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.254 26.658 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.027 27.360 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.166 27.194 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.320 28.980 -4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.346 29.418 -6.544 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.798 24.122 -5.218 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.062 22.705 -5.443 1.00 0.00 C ATOM 1446 C LEU A 99 -8.452 22.323 -4.945 1.00 0.00 C ATOM 1447 O LEU A 99 -9.010 22.952 -4.045 1.00 0.00 O ATOM 1448 CB LEU A 99 -6.004 21.852 -4.741 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.877 21.317 -5.626 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -4.048 22.463 -6.185 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.997 20.352 -4.844 1.00 0.00 C ATOM 0 H LEU A 99 -5.982 24.312 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.018 22.519 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.560 22.445 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.503 21.005 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.322 20.776 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.251 22.063 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.685 23.116 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.613 23.032 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.201 19.981 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.561 20.869 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.599 19.514 -4.493 1.00 0.00 H new ATOM 1463 N PRO A 100 -9.025 21.267 -5.541 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.356 20.776 -5.172 1.00 0.00 C ATOM 1465 C PRO A 100 -10.374 20.130 -3.791 1.00 0.00 C ATOM 1466 O PRO A 100 -9.353 19.665 -3.284 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.663 19.737 -6.253 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.328 19.278 -6.727 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.418 20.471 -6.621 1.00 0.00 C ATOM 0 HA PRO A 100 -11.087 21.583 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.247 18.909 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.244 20.172 -7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.961 18.452 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.381 18.918 -7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.397 20.177 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.376 21.029 -7.557 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.560 20.099 -3.166 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.738 19.511 -1.835 1.00 0.00 C ATOM 1479 C PRO A 101 -11.595 17.993 -1.848 1.00 0.00 C ATOM 1480 O PRO A 101 -11.474 17.361 -0.798 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.168 19.910 -1.460 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.861 20.107 -2.764 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.819 20.635 -3.711 1.00 0.00 C ATOM 0 HA PRO A 101 -10.984 19.861 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.653 19.134 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.181 20.822 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.280 19.169 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.689 20.809 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.993 20.293 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.814 21.725 -3.736 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.610 17.412 -3.044 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.480 15.967 -3.194 1.00 0.00 C ATOM 1493 C VAL A 102 -10.271 15.442 -2.428 1.00 0.00 C ATOM 1494 O VAL A 102 -10.337 14.395 -1.782 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.349 15.566 -4.675 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.655 15.818 -5.414 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -10.202 16.319 -5.331 1.00 0.00 C ATOM 0 H VAL A 102 -11.711 17.920 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.387 15.523 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.130 14.499 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.543 15.529 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.451 15.229 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.908 16.877 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.124 16.023 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.388 17.391 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.270 16.083 -4.817 1.00 0.00 H new ATOM 1507 N LYS A 103 -9.165 16.175 -2.503 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.940 15.786 -1.815 1.00 0.00 C ATOM 1509 C LYS A 103 -7.016 16.985 -1.630 1.00 0.00 C ATOM 1510 O LYS A 103 -5.990 17.099 -2.301 1.00 0.00 O ATOM 1511 CB LYS A 103 -7.218 14.688 -2.599 1.00 0.00 C ATOM 1512 CG LYS A 103 -6.184 13.935 -1.780 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.837 12.912 -0.864 1.00 0.00 C ATOM 1514 CE LYS A 103 -5.813 12.239 0.038 1.00 0.00 C ATOM 1515 NZ LYS A 103 -6.350 12.005 1.407 1.00 0.00 N ATOM 0 H LYS A 103 -9.092 17.043 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.211 15.403 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.955 13.980 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.729 15.134 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.484 13.433 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.605 14.641 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.596 13.401 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.347 12.158 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.511 11.288 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.919 12.860 0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.623 11.545 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.615 12.915 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.188 11.392 1.351 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.385 17.875 -0.715 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.587 19.063 -0.440 1.00 0.00 C ATOM 1531 C ILE A 104 -5.128 18.699 -0.187 1.00 0.00 C ATOM 1532 O ILE A 104 -4.225 19.501 -0.432 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.129 19.837 0.777 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.574 20.275 0.527 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.248 21.041 1.074 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.723 21.232 -0.636 1.00 0.00 C ATOM 0 H ILE A 104 -8.232 17.796 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.653 19.698 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.114 19.178 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.186 19.392 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.963 20.748 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.644 21.578 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.234 20.705 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.234 21.704 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.773 21.500 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.139 22.132 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.365 20.755 -1.548 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.903 17.484 0.302 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.552 17.012 0.585 1.00 0.00 C ATOM 1550 C HIS A 105 -2.663 17.137 -0.648 1.00 0.00 C ATOM 1551 O HIS A 105 -1.439 17.220 -0.537 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.586 15.559 1.059 1.00 0.00 C ATOM 1553 CG HIS A 105 -3.380 15.404 2.534 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -4.074 16.139 3.472 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -2.553 14.591 3.232 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -3.681 15.787 4.683 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -2.760 14.848 4.565 1.00 0.00 N ATOM 0 H HIS A 105 -5.638 16.808 0.511 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.134 17.635 1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.545 15.119 0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.816 14.996 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.860 13.874 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -4.050 16.197 5.611 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.280 14.388 5.339 1.00 0.00 H new ATOM 1565 N CYS A 106 -3.285 17.150 -1.821 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.550 17.264 -3.076 1.00 0.00 C ATOM 1567 C CYS A 106 -1.716 18.540 -3.104 1.00 0.00 C ATOM 1568 O CYS A 106 -0.761 18.653 -3.872 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.516 17.245 -4.261 1.00 0.00 C ATOM 1570 SG CYS A 106 -4.124 15.598 -4.692 1.00 0.00 S ATOM 0 H CYS A 106 -4.297 17.083 -1.930 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.877 16.410 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.367 17.886 -4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -3.017 17.675 -5.129 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.935 15.686 -5.704 1.00 0.00 H new ATOM 1576 N SER A 107 -2.085 19.500 -2.262 1.00 0.00 N ATOM 1577 CA SER A 107 -1.375 20.772 -2.193 1.00 0.00 C ATOM 1578 C SER A 107 -0.232 20.702 -1.185 1.00 0.00 C ATOM 1579 O SER A 107 0.792 21.368 -1.344 1.00 0.00 O ATOM 1580 CB SER A 107 -2.337 21.899 -1.813 1.00 0.00 C ATOM 1581 OG SER A 107 -2.321 22.134 -0.416 1.00 0.00 O ATOM 0 H SER A 107 -2.872 19.421 -1.618 1.00 0.00 H new ATOM 0 HA SER A 107 -0.956 20.979 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.060 22.811 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.348 21.641 -2.130 1.00 0.00 H new ATOM 0 HG SER A 107 -3.164 21.825 -0.023 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.415 19.892 -0.148 1.00 0.00 N ATOM 1588 CA ILE A 108 0.601 19.734 0.886 1.00 0.00 C ATOM 1589 C ILE A 108 1.809 18.970 0.357 1.00 0.00 C ATOM 1590 O ILE A 108 2.910 19.075 0.899 1.00 0.00 O ATOM 1591 CB ILE A 108 0.040 18.998 2.117 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -1.166 19.751 2.683 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.120 18.843 3.178 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.772 19.090 3.901 1.00 0.00 C ATOM 0 H ILE A 108 -1.257 19.335 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 108 0.910 20.737 1.182 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.287 18.004 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.862 20.765 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.928 19.835 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.709 18.321 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.952 18.269 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.474 19.828 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.622 19.677 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.107 18.086 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.025 19.030 4.692 1.00 0.00 H new ATOM 1606 N LEU A 109 1.598 18.201 -0.706 1.00 0.00 N ATOM 1607 CA LEU A 109 2.671 17.420 -1.311 1.00 0.00 C ATOM 1608 C LEU A 109 3.611 18.314 -2.112 1.00 0.00 C ATOM 1609 O LEU A 109 4.799 18.021 -2.246 1.00 0.00 O ATOM 1610 CB LEU A 109 2.088 16.332 -2.216 1.00 0.00 C ATOM 1611 CG LEU A 109 1.305 15.223 -1.514 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.901 14.144 -2.507 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.126 14.626 -0.380 1.00 0.00 C ATOM 0 H LEU A 109 0.693 18.102 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 109 3.242 16.951 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.431 16.807 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.905 15.875 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 109 0.399 15.656 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.345 13.363 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.275 14.581 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.794 13.714 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.553 13.838 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.050 14.208 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.365 15.404 0.345 1.00 0.00 H new ATOM 1625 N ALA A 110 3.072 19.408 -2.640 1.00 0.00 N ATOM 1626 CA ALA A 110 3.864 20.348 -3.424 1.00 0.00 C ATOM 1627 C ALA A 110 4.898 21.053 -2.554 1.00 0.00 C ATOM 1628 O ALA A 110 6.053 21.210 -2.951 1.00 0.00 O ATOM 1629 CB ALA A 110 2.958 21.366 -4.101 1.00 0.00 C ATOM 0 H ALA A 110 2.090 19.665 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 110 4.396 19.785 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.563 22.061 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.261 20.850 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.400 21.917 -3.344 1.00 0.00 H new ATOM 1635 N GLU A 111 4.476 21.477 -1.367 1.00 0.00 N ATOM 1636 CA GLU A 111 5.367 22.168 -0.442 1.00 0.00 C ATOM 1637 C GLU A 111 6.277 21.177 0.280 1.00 0.00 C ATOM 1638 O GLU A 111 7.341 21.544 0.778 1.00 0.00 O ATOM 1639 CB GLU A 111 4.557 22.970 0.579 1.00 0.00 C ATOM 1640 CG GLU A 111 3.699 22.107 1.488 1.00 0.00 C ATOM 1641 CD GLU A 111 3.940 22.389 2.958 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.332 23.528 3.288 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.735 21.471 3.780 1.00 0.00 O ATOM 0 H GLU A 111 3.524 21.354 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 111 5.989 22.852 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.240 23.559 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.916 23.674 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.647 22.276 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.905 21.056 1.285 1.00 0.00 H new ATOM 1650 N ASP A 112 5.849 19.920 0.331 1.00 0.00 N ATOM 1651 CA ASP A 112 6.624 18.876 0.991 1.00 0.00 C ATOM 1652 C ASP A 112 7.759 18.393 0.094 1.00 0.00 C ATOM 1653 O ASP A 112 8.765 17.872 0.575 1.00 0.00 O ATOM 1654 CB ASP A 112 5.719 17.701 1.367 1.00 0.00 C ATOM 1655 CG ASP A 112 4.902 17.975 2.614 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.084 19.054 3.216 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.081 17.111 2.988 1.00 0.00 O ATOM 0 H ASP A 112 4.970 19.600 -0.076 1.00 0.00 H new ATOM 0 HA ASP A 112 7.056 19.297 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.047 17.484 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.330 16.812 1.524 1.00 0.00 H new ATOM 1662 N ALA A 113 7.590 18.568 -1.213 1.00 0.00 N ATOM 1663 CA ALA A 113 8.600 18.151 -2.177 1.00 0.00 C ATOM 1664 C ALA A 113 9.760 19.140 -2.218 1.00 0.00 C ATOM 1665 O ALA A 113 10.926 18.744 -2.212 1.00 0.00 O ATOM 1666 CB ALA A 113 7.982 18.002 -3.559 1.00 0.00 C ATOM 0 H ALA A 113 6.762 18.996 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 113 8.991 17.184 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.748 17.690 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.192 17.252 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.562 18.957 -3.875 1.00 0.00 H new ATOM 1672 N ILE A 114 9.433 20.427 -2.261 1.00 0.00 N ATOM 1673 CA ILE A 114 10.449 21.472 -2.304 1.00 0.00 C ATOM 1674 C ILE A 114 11.365 21.398 -1.087 1.00 0.00 C ATOM 1675 O ILE A 114 12.575 21.596 -1.194 1.00 0.00 O ATOM 1676 CB ILE A 114 9.812 22.873 -2.369 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.836 23.068 -1.207 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.105 23.072 -3.701 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.107 24.392 -1.246 1.00 0.00 C ATOM 0 H ILE A 114 8.473 20.771 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 114 11.035 21.306 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 114 10.602 23.619 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.105 22.260 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.383 22.991 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.660 24.067 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.825 22.971 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.323 22.321 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.432 24.461 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.830 25.207 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.532 24.464 -2.169 1.00 0.00 H new ATOM 1691 N LYS A 115 10.780 21.109 0.070 1.00 0.00 N ATOM 1692 CA LYS A 115 11.542 21.005 1.309 1.00 0.00 C ATOM 1693 C LYS A 115 12.523 19.839 1.247 1.00 0.00 C ATOM 1694 O LYS A 115 13.685 19.972 1.629 1.00 0.00 O ATOM 1695 CB LYS A 115 10.598 20.829 2.500 1.00 0.00 C ATOM 1696 CG LYS A 115 9.547 21.920 2.609 1.00 0.00 C ATOM 1697 CD LYS A 115 9.844 22.867 3.760 1.00 0.00 C ATOM 1698 CE LYS A 115 9.686 22.176 5.106 1.00 0.00 C ATOM 1699 NZ LYS A 115 8.267 22.164 5.560 1.00 0.00 N ATOM 0 H LYS A 115 9.779 20.942 0.176 1.00 0.00 H new ATOM 0 HA LYS A 115 12.108 21.927 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.100 19.863 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.185 20.808 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.506 22.482 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.566 21.468 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.860 23.251 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.173 23.725 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.053 21.152 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.301 22.683 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.201 21.685 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.924 23.141 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.684 21.658 4.863 1.00 0.00 H new ATOM 1713 N ALA A 116 12.047 18.696 0.763 1.00 0.00 N ATOM 1714 CA ALA A 116 12.883 17.508 0.649 1.00 0.00 C ATOM 1715 C ALA A 116 14.180 17.818 -0.090 1.00 0.00 C ATOM 1716 O ALA A 116 15.208 17.184 0.146 1.00 0.00 O ATOM 1717 CB ALA A 116 12.124 16.395 -0.059 1.00 0.00 C ATOM 0 H ALA A 116 11.087 18.568 0.444 1.00 0.00 H new ATOM 0 HA ALA A 116 13.139 17.176 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.760 15.513 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.228 16.146 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.839 16.727 -1.057 1.00 0.00 H new ATOM 1723 N ALA A 117 14.125 18.798 -0.986 1.00 0.00 N ATOM 1724 CA ALA A 117 15.297 19.193 -1.759 1.00 0.00 C ATOM 1725 C ALA A 117 16.263 20.013 -0.910 1.00 0.00 C ATOM 1726 O ALA A 117 17.479 19.840 -0.996 1.00 0.00 O ATOM 1727 CB ALA A 117 14.875 19.980 -2.991 1.00 0.00 C ATOM 0 H ALA A 117 13.282 19.333 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 117 15.814 18.288 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.759 20.269 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.229 19.361 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.333 20.875 -2.683 1.00 0.00 H new ATOM 1733 N ILE A 118 15.714 20.906 -0.094 1.00 0.00 N ATOM 1734 CA ILE A 118 16.528 21.752 0.770 1.00 0.00 C ATOM 1735 C ILE A 118 17.397 20.913 1.701 1.00 0.00 C ATOM 1736 O ILE A 118 18.545 21.259 1.976 1.00 0.00 O ATOM 1737 CB ILE A 118 15.656 22.699 1.615 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.834 23.617 0.707 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.524 23.518 2.558 1.00 0.00 C ATOM 1740 CD1 ILE A 118 13.902 24.537 1.463 1.00 0.00 C ATOM 0 H ILE A 118 14.709 21.063 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 118 17.167 22.346 0.117 1.00 0.00 H new ATOM 0 HB ILE A 118 14.969 22.100 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.512 24.218 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.249 23.006 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.893 24.182 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.069 22.849 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.232 24.110 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.352 25.158 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.199 23.943 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.482 25.174 2.131 1.00 0.00 H new ATOM 1752 N ALA A 119 16.840 19.806 2.183 1.00 0.00 N ATOM 1753 CA ALA A 119 17.565 18.915 3.080 1.00 0.00 C ATOM 1754 C ALA A 119 18.680 18.182 2.343 1.00 0.00 C ATOM 1755 O ALA A 119 19.822 18.148 2.801 1.00 0.00 O ATOM 1756 CB ALA A 119 16.609 17.919 3.720 1.00 0.00 C ATOM 0 H ALA A 119 15.889 19.505 1.967 1.00 0.00 H new ATOM 0 HA ALA A 119 18.020 19.520 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.164 17.260 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.851 18.457 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.127 17.326 2.943 1.00 0.00 H new ATOM 1762 N ASP A 120 18.342 17.596 1.200 1.00 0.00 N ATOM 1763 CA ASP A 120 19.316 16.864 0.399 1.00 0.00 C ATOM 1764 C ASP A 120 20.539 17.727 0.106 1.00 0.00 C ATOM 1765 O ASP A 120 21.655 17.221 -0.014 1.00 0.00 O ATOM 1766 CB ASP A 120 18.681 16.396 -0.912 1.00 0.00 C ATOM 1767 CG ASP A 120 18.748 14.891 -1.082 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.869 14.192 -0.536 1.00 0.00 O ATOM 1769 OD2 ASP A 120 19.678 14.412 -1.763 1.00 0.00 O ATOM 0 H ASP A 120 17.401 17.614 0.807 1.00 0.00 H new ATOM 0 HA ASP A 120 19.637 15.993 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.640 16.716 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.187 16.876 -1.749 1.00 0.00 H new ATOM 1774 N TYR A 121 20.321 19.032 -0.009 1.00 0.00 N ATOM 1775 CA TYR A 121 21.404 19.966 -0.291 1.00 0.00 C ATOM 1776 C TYR A 121 22.349 20.081 0.901 1.00 0.00 C ATOM 1777 O TYR A 121 23.555 19.865 0.777 1.00 0.00 O ATOM 1778 CB TYR A 121 20.840 21.344 -0.643 1.00 0.00 C ATOM 1779 CG TYR A 121 21.885 22.436 -0.677 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.069 22.271 -1.385 1.00 0.00 C ATOM 1781 CD2 TYR A 121 21.688 23.634 0.000 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.026 23.265 -1.418 1.00 0.00 C ATOM 1783 CE2 TYR A 121 22.640 24.635 -0.029 1.00 0.00 C ATOM 1784 CZ TYR A 121 23.808 24.446 -0.739 1.00 0.00 C ATOM 1785 OH TYR A 121 24.759 25.440 -0.770 1.00 0.00 O ATOM 0 H TYR A 121 19.404 19.467 0.089 1.00 0.00 H new ATOM 0 HA TYR A 121 21.967 19.583 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.352 21.290 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.073 21.610 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.244 21.349 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 121 20.776 23.785 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 121 24.941 23.119 -1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 121 22.471 25.561 0.501 1.00 0.00 H new ATOM 0 HH TYR A 121 25.250 25.397 -1.617 1.00 0.00 H new ATOM 1795 N LYS A 122 21.792 20.422 2.059 1.00 0.00 N ATOM 1796 CA LYS A 122 22.582 20.564 3.276 1.00 0.00 C ATOM 1797 C LYS A 122 23.334 19.275 3.590 1.00 0.00 C ATOM 1798 O LYS A 122 24.377 19.297 4.244 1.00 0.00 O ATOM 1799 CB LYS A 122 21.679 20.940 4.453 1.00 0.00 C ATOM 1800 CG LYS A 122 20.721 22.078 4.146 1.00 0.00 C ATOM 1801 CD LYS A 122 20.749 23.139 5.233 1.00 0.00 C ATOM 1802 CE LYS A 122 19.715 22.858 6.313 1.00 0.00 C ATOM 1803 NZ LYS A 122 20.353 22.540 7.621 1.00 0.00 N ATOM 0 H LYS A 122 20.796 20.605 2.180 1.00 0.00 H new ATOM 0 HA LYS A 122 23.311 21.359 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.104 20.064 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.302 21.220 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 122 20.985 22.529 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.709 21.686 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.742 23.177 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.560 24.118 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.064 23.725 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.084 22.024 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.616 22.355 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.954 21.698 7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.935 23.345 7.928 1.00 0.00 H new ATOM 1817 N SER A 123 22.799 18.153 3.120 1.00 0.00 N ATOM 1818 CA SER A 123 23.419 16.854 3.353 1.00 0.00 C ATOM 1819 C SER A 123 24.526 16.591 2.337 1.00 0.00 C ATOM 1820 O SER A 123 25.404 15.756 2.560 1.00 0.00 O ATOM 1821 CB SER A 123 22.369 15.743 3.278 1.00 0.00 C ATOM 1822 OG SER A 123 21.874 15.423 4.567 1.00 0.00 O ATOM 0 H SER A 123 21.937 18.117 2.575 1.00 0.00 H new ATOM 0 HA SER A 123 23.859 16.862 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.546 16.058 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.806 14.855 2.822 1.00 0.00 H new ATOM 0 HG SER A 123 21.204 14.712 4.493 1.00 0.00 H new ATOM 1828 N LYS A 124 24.480 17.309 1.221 1.00 0.00 N ATOM 1829 CA LYS A 124 25.478 17.156 0.169 1.00 0.00 C ATOM 1830 C LYS A 124 26.705 18.017 0.454 1.00 0.00 C ATOM 1831 O LYS A 124 27.797 17.742 -0.041 1.00 0.00 O ATOM 1832 CB LYS A 124 24.882 17.533 -1.188 1.00 0.00 C ATOM 1833 CG LYS A 124 24.813 16.372 -2.166 1.00 0.00 C ATOM 1834 CD LYS A 124 23.493 15.628 -2.055 1.00 0.00 C ATOM 1835 CE LYS A 124 23.632 14.178 -2.491 1.00 0.00 C ATOM 1836 NZ LYS A 124 22.472 13.730 -3.310 1.00 0.00 N ATOM 0 H LYS A 124 23.761 18.004 1.021 1.00 0.00 H new ATOM 0 HA LYS A 124 25.786 16.111 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 124 23.878 17.930 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 124 25.478 18.333 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 124 24.938 16.744 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 124 25.637 15.684 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.138 15.667 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.742 16.124 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.550 14.058 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.722 13.541 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 22.537 12.705 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 21.588 13.945 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 22.480 14.227 -4.224 1.00 0.00 H new ATOM 1850 N ARG A 125 26.516 19.060 1.257 1.00 0.00 N ATOM 1851 CA ARG A 125 27.607 19.961 1.608 1.00 0.00 C ATOM 1852 C ARG A 125 28.096 19.695 3.029 1.00 0.00 C ATOM 1853 O ARG A 125 29.156 20.175 3.430 1.00 0.00 O ATOM 1854 CB ARG A 125 27.157 21.417 1.476 1.00 0.00 C ATOM 1855 CG ARG A 125 26.119 21.830 2.508 1.00 0.00 C ATOM 1856 CD ARG A 125 26.630 22.956 3.392 1.00 0.00 C ATOM 1857 NE ARG A 125 25.851 23.083 4.621 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.069 24.022 5.535 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.037 24.910 5.360 1.00 0.00 N ATOM 1860 NH2 ARG A 125 25.317 24.073 6.627 1.00 0.00 N ATOM 0 H ARG A 125 25.618 19.301 1.676 1.00 0.00 H new ATOM 0 HA ARG A 125 28.431 19.779 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.027 22.067 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 125 26.747 21.573 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.208 22.148 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.857 20.971 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.675 22.775 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 125 26.593 23.895 2.840 1.00 0.00 H new ATOM 0 HE ARG A 125 25.099 22.414 4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.617 24.874 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 125 27.202 25.630 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.571 23.391 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.485 24.794 7.329 1.00 0.00 H new