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 Set 1.1: A 41 MET CE :methyl 147:sc= -0.363 (180deg=0) USER MOD Set 1.2: A 69 SER OG : rot -170:sc= -0.376 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.198 F(o=-1.6,f=-0.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 149:sc= -0.0939 (180deg=-0.751) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.123 K(o=-0.12,f=-3.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 177:sc= -2.14! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -87:sc= 0.422 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -110:sc= 1.06 (180deg=-0.337) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 86 GLN : amide:sc= -0.817 X(o=-0.82,f=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.76 F(o=-1.4,f=-0.76) USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00342 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.21) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.0236 USER MOD Single : A 107 SER OG : rot 79:sc= -0.224 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 112:sc= 0.107 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 26.063 19.897 -6.171 1.00 0.00 N ATOM 385 CA ASN A 26 25.366 21.037 -5.586 1.00 0.00 C ATOM 386 C ASN A 26 23.901 21.057 -6.014 1.00 0.00 C ATOM 387 O ASN A 26 23.294 22.120 -6.140 1.00 0.00 O ATOM 388 CB ASN A 26 26.047 22.343 -5.998 1.00 0.00 C ATOM 389 CG ASN A 26 26.591 22.291 -7.412 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.709 22.060 -8.377 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.791 22.457 -7.634 1.00 0.00 N flip ATOM 0 HA ASN A 26 25.408 20.939 -4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.333 23.163 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.861 22.559 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 26 28.433 22.632 -6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 26 28.143 22.420 -8.591 1.00 0.00 H new ATOM 398 N VAL A 27 23.339 19.873 -6.236 1.00 0.00 N ATOM 399 CA VAL A 27 21.946 19.753 -6.648 1.00 0.00 C ATOM 400 C VAL A 27 21.102 19.111 -5.553 1.00 0.00 C ATOM 401 O VAL A 27 21.491 18.102 -4.966 1.00 0.00 O ATOM 402 CB VAL A 27 21.811 18.923 -7.938 1.00 0.00 C ATOM 403 CG1 VAL A 27 22.247 17.485 -7.696 1.00 0.00 C ATOM 404 CG2 VAL A 27 20.383 18.975 -8.458 1.00 0.00 C ATOM 0 H VAL A 27 23.828 18.983 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 27 21.584 20.764 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 27 22.465 19.353 -8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.145 16.914 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.288 17.470 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.621 17.040 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.306 18.383 -9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.707 18.571 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.111 20.009 -8.672 1.00 0.00 H new ATOM 414 N GLY A 28 19.942 19.703 -5.283 1.00 0.00 N ATOM 415 CA GLY A 28 19.061 19.175 -4.258 1.00 0.00 C ATOM 416 C GLY A 28 17.866 18.446 -4.841 1.00 0.00 C ATOM 417 O GLY A 28 17.173 18.973 -5.711 1.00 0.00 O ATOM 0 H GLY A 28 19.597 20.538 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.621 18.494 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.712 19.992 -3.627 1.00 0.00 H new ATOM 421 N SER A 29 17.625 17.230 -4.362 1.00 0.00 N ATOM 422 CA SER A 29 16.509 16.425 -4.845 1.00 0.00 C ATOM 423 C SER A 29 15.456 16.248 -3.756 1.00 0.00 C ATOM 424 O SER A 29 15.774 15.902 -2.619 1.00 0.00 O ATOM 425 CB SER A 29 17.006 15.057 -5.317 1.00 0.00 C ATOM 426 OG SER A 29 17.058 14.994 -6.732 1.00 0.00 O ATOM 0 H SER A 29 18.188 16.780 -3.640 1.00 0.00 H new ATOM 0 HA SER A 29 16.053 16.948 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.996 14.864 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.346 14.276 -4.939 1.00 0.00 H new ATOM 0 HG SER A 29 17.380 14.111 -7.009 1.00 0.00 H new ATOM 432 N GLY A 30 14.198 16.490 -4.113 1.00 0.00 N ATOM 433 CA GLY A 30 13.115 16.353 -3.157 1.00 0.00 C ATOM 434 C GLY A 30 11.971 15.514 -3.691 1.00 0.00 C ATOM 435 O GLY A 30 11.324 15.887 -4.669 1.00 0.00 O ATOM 0 H GLY A 30 13.910 16.779 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.497 15.900 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.742 17.342 -2.891 1.00 0.00 H new ATOM 439 N MET A 31 11.723 14.377 -3.050 1.00 0.00 N ATOM 440 CA MET A 31 10.649 13.483 -3.468 1.00 0.00 C ATOM 441 C MET A 31 9.662 13.249 -2.329 1.00 0.00 C ATOM 442 O MET A 31 10.046 12.825 -1.239 1.00 0.00 O ATOM 443 CB MET A 31 11.225 12.147 -3.942 1.00 0.00 C ATOM 444 CG MET A 31 10.166 11.158 -4.400 1.00 0.00 C ATOM 445 SD MET A 31 10.003 9.749 -3.286 1.00 0.00 S ATOM 446 CE MET A 31 8.310 9.946 -2.736 1.00 0.00 C ATOM 0 H MET A 31 12.251 14.053 -2.240 1.00 0.00 H new ATOM 0 HA MET A 31 10.117 13.955 -4.294 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.919 12.330 -4.763 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.801 11.701 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.206 11.669 -4.476 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.417 10.800 -5.398 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.879 8.967 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.290 10.553 -1.831 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.729 10.438 -3.516 1.00 0.00 H new ATOM 456 N VAL A 32 8.389 13.528 -2.588 1.00 0.00 N ATOM 457 CA VAL A 32 7.347 13.348 -1.585 1.00 0.00 C ATOM 458 C VAL A 32 6.045 12.877 -2.224 1.00 0.00 C ATOM 459 O VAL A 32 5.808 13.097 -3.411 1.00 0.00 O ATOM 460 CB VAL A 32 7.083 14.651 -0.809 1.00 0.00 C ATOM 461 CG1 VAL A 32 6.176 14.389 0.384 1.00 0.00 C ATOM 462 CG2 VAL A 32 8.394 15.281 -0.363 1.00 0.00 C ATOM 0 H VAL A 32 8.054 13.880 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 32 7.704 12.587 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 32 6.577 15.351 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.001 15.322 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.225 13.986 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.652 13.671 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.188 16.201 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.930 14.586 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.005 15.507 -1.237 1.00 0.00 H new ATOM 472 N GLY A 33 5.202 12.227 -1.426 1.00 0.00 N ATOM 473 CA GLY A 33 3.933 11.735 -1.931 1.00 0.00 C ATOM 474 C GLY A 33 3.149 10.971 -0.883 1.00 0.00 C ATOM 475 O GLY A 33 3.218 11.286 0.305 1.00 0.00 O ATOM 0 H GLY A 33 5.375 12.033 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.336 12.575 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.113 11.087 -2.789 1.00 0.00 H new ATOM 479 N ALA A 34 2.400 9.965 -1.323 1.00 0.00 N ATOM 480 CA ALA A 34 1.600 9.154 -0.414 1.00 0.00 C ATOM 481 C ALA A 34 1.362 7.761 -0.986 1.00 0.00 C ATOM 482 O ALA A 34 1.246 7.572 -2.197 1.00 0.00 O ATOM 483 CB ALA A 34 0.274 9.841 -0.122 1.00 0.00 C ATOM 0 H ALA A 34 2.331 9.692 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 34 2.153 9.045 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.313 9.224 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.461 10.812 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.276 9.980 -1.053 1.00 0.00 H new ATOM 489 N PRO A 35 1.286 6.760 -0.097 1.00 0.00 N ATOM 490 CA PRO A 35 1.061 5.366 -0.491 1.00 0.00 C ATOM 491 C PRO A 35 -0.350 5.133 -1.019 1.00 0.00 C ATOM 492 O PRO A 35 -0.536 4.540 -2.080 1.00 0.00 O ATOM 493 CB PRO A 35 1.280 4.590 0.810 1.00 0.00 C ATOM 494 CG PRO A 35 0.985 5.571 1.891 1.00 0.00 C ATOM 495 CD PRO A 35 1.415 6.911 1.362 1.00 0.00 C ATOM 0 HA PRO A 35 1.722 5.060 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.620 3.724 0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.302 4.218 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.076 5.571 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.525 5.320 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.782 7.714 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.439 7.148 1.652 1.00 0.00 H new ATOM 503 N ALA A 36 -1.342 5.606 -0.270 1.00 0.00 N ATOM 504 CA ALA A 36 -2.737 5.451 -0.665 1.00 0.00 C ATOM 505 C ALA A 36 -3.125 6.479 -1.722 1.00 0.00 C ATOM 506 O ALA A 36 -4.175 6.365 -2.356 1.00 0.00 O ATOM 507 CB ALA A 36 -3.645 5.572 0.550 1.00 0.00 C ATOM 0 H ALA A 36 -1.205 6.099 0.612 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.859 4.459 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.684 5.454 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.391 4.796 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.511 6.552 1.008 1.00 0.00 H new ATOM 513 N CYS A 37 -2.273 7.481 -1.907 1.00 0.00 N ATOM 514 CA CYS A 37 -2.529 8.531 -2.888 1.00 0.00 C ATOM 515 C CYS A 37 -1.926 8.168 -4.241 1.00 0.00 C ATOM 516 O CYS A 37 -2.506 8.455 -5.288 1.00 0.00 O ATOM 517 CB CYS A 37 -1.956 9.863 -2.401 1.00 0.00 C ATOM 518 SG CYS A 37 -2.743 11.316 -3.134 1.00 0.00 S ATOM 0 H CYS A 37 -1.400 7.589 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.608 8.630 -3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.058 9.916 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.889 9.890 -2.623 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.192 12.394 -2.659 1.00 0.00 H new ATOM 524 N GLY A 38 -0.756 7.538 -4.213 1.00 0.00 N ATOM 525 CA GLY A 38 -0.092 7.149 -5.443 1.00 0.00 C ATOM 526 C GLY A 38 0.550 8.325 -6.153 1.00 0.00 C ATOM 527 O GLY A 38 1.115 8.172 -7.235 1.00 0.00 O ATOM 0 H GLY A 38 -0.256 7.290 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.671 6.403 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.815 6.677 -6.109 1.00 0.00 H new ATOM 531 N ALA A 39 0.462 9.502 -5.542 1.00 0.00 N ATOM 532 CA ALA A 39 1.039 10.708 -6.122 1.00 0.00 C ATOM 533 C ALA A 39 2.517 10.835 -5.767 1.00 0.00 C ATOM 534 O ALA A 39 2.925 10.529 -4.647 1.00 0.00 O ATOM 535 CB ALA A 39 0.274 11.937 -5.654 1.00 0.00 C ATOM 0 H ALA A 39 -0.003 9.646 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 39 0.958 10.635 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.716 12.830 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.768 11.857 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.325 12.005 -4.567 1.00 0.00 H new ATOM 541 N VAL A 40 3.315 11.287 -6.729 1.00 0.00 N ATOM 542 CA VAL A 40 4.748 11.455 -6.517 1.00 0.00 C ATOM 543 C VAL A 40 5.223 12.812 -7.025 1.00 0.00 C ATOM 544 O VAL A 40 5.121 13.111 -8.215 1.00 0.00 O ATOM 545 CB VAL A 40 5.553 10.346 -7.220 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.018 10.411 -6.815 1.00 0.00 C ATOM 547 CG2 VAL A 40 4.964 8.979 -6.903 1.00 0.00 C ATOM 0 H VAL A 40 2.994 11.543 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 40 4.919 11.392 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 40 5.491 10.503 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.571 9.620 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.431 11.380 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.103 10.280 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.545 8.207 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.994 8.811 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.931 8.939 -7.248 1.00 0.00 H new ATOM 557 N MET A 41 5.743 13.629 -6.115 1.00 0.00 N ATOM 558 CA MET A 41 6.237 14.954 -6.472 1.00 0.00 C ATOM 559 C MET A 41 7.762 14.985 -6.472 1.00 0.00 C ATOM 560 O MET A 41 8.394 14.967 -5.416 1.00 0.00 O ATOM 561 CB MET A 41 5.694 16.002 -5.498 1.00 0.00 C ATOM 562 CG MET A 41 4.192 15.915 -5.286 1.00 0.00 C ATOM 563 SD MET A 41 3.254 16.426 -6.739 1.00 0.00 S ATOM 564 CE MET A 41 2.909 18.136 -6.335 1.00 0.00 C ATOM 0 H MET A 41 5.833 13.397 -5.126 1.00 0.00 H new ATOM 0 HA MET A 41 5.887 15.186 -7.478 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.195 15.887 -4.537 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.943 16.996 -5.871 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.924 14.890 -5.028 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.912 16.541 -4.439 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.889 18.729 -7.249 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.942 18.204 -5.837 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.686 18.517 -5.672 1.00 0.00 H new ATOM 574 N LYS A 42 8.348 15.030 -7.664 1.00 0.00 N ATOM 575 CA LYS A 42 9.799 15.064 -7.803 1.00 0.00 C ATOM 576 C LYS A 42 10.260 16.401 -8.375 1.00 0.00 C ATOM 577 O LYS A 42 9.901 16.765 -9.495 1.00 0.00 O ATOM 578 CB LYS A 42 10.272 13.921 -8.704 1.00 0.00 C ATOM 579 CG LYS A 42 9.771 12.555 -8.268 1.00 0.00 C ATOM 580 CD LYS A 42 10.634 11.439 -8.832 1.00 0.00 C ATOM 581 CE LYS A 42 11.803 11.120 -7.913 1.00 0.00 C ATOM 582 NZ LYS A 42 11.972 9.653 -7.719 1.00 0.00 N ATOM 0 H LYS A 42 7.840 15.044 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 42 10.237 14.943 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.939 14.112 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.362 13.910 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.767 12.498 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.741 12.422 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.027 10.545 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.010 11.729 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.718 11.539 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.646 11.598 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.779 9.477 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.108 9.257 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.147 9.199 -8.638 1.00 0.00 H new ATOM 596 N LEU A 43 11.057 17.127 -7.599 1.00 0.00 N ATOM 597 CA LEU A 43 11.569 18.424 -8.030 1.00 0.00 C ATOM 598 C LEU A 43 13.059 18.548 -7.730 1.00 0.00 C ATOM 599 O LEU A 43 13.564 17.942 -6.785 1.00 0.00 O ATOM 600 CB LEU A 43 10.802 19.552 -7.337 1.00 0.00 C ATOM 601 CG LEU A 43 9.526 20.024 -8.036 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.485 18.915 -8.052 1.00 0.00 C ATOM 603 CD2 LEU A 43 8.973 21.267 -7.354 1.00 0.00 C ATOM 0 H LEU A 43 11.363 16.840 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 43 11.426 18.504 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.541 19.222 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.471 20.406 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 43 9.772 20.279 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.584 19.269 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.882 18.051 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.242 18.629 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.065 21.589 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.743 21.039 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.715 22.065 -7.395 1.00 0.00 H new ATOM 615 N GLN A 44 13.756 19.338 -8.539 1.00 0.00 N ATOM 616 CA GLN A 44 15.189 19.543 -8.359 1.00 0.00 C ATOM 617 C GLN A 44 15.491 20.995 -8.003 1.00 0.00 C ATOM 618 O GLN A 44 14.661 21.880 -8.211 1.00 0.00 O ATOM 619 CB GLN A 44 15.945 19.148 -9.629 1.00 0.00 C ATOM 620 CG GLN A 44 16.491 17.730 -9.596 1.00 0.00 C ATOM 621 CD GLN A 44 15.850 16.834 -10.637 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.505 16.398 -11.585 1.00 0.00 O ATOM 623 NE2 GLN A 44 14.564 16.554 -10.467 1.00 0.00 N ATOM 0 H GLN A 44 13.353 19.847 -9.326 1.00 0.00 H new ATOM 0 HA GLN A 44 15.521 18.910 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.279 19.252 -10.485 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.771 19.843 -9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.569 17.756 -9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.328 17.305 -8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.060 16.937 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.079 15.956 -11.136 1.00 0.00 H new ATOM 632 N ILE A 45 16.683 21.231 -7.465 1.00 0.00 N ATOM 633 CA ILE A 45 17.094 22.576 -7.082 1.00 0.00 C ATOM 634 C ILE A 45 18.606 22.741 -7.191 1.00 0.00 C ATOM 635 O ILE A 45 19.348 21.759 -7.234 1.00 0.00 O ATOM 636 CB ILE A 45 16.656 22.909 -5.643 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.256 21.905 -4.658 1.00 0.00 C ATOM 638 CG2 ILE A 45 15.138 22.918 -5.541 1.00 0.00 C ATOM 639 CD1 ILE A 45 17.274 22.397 -3.228 1.00 0.00 C ATOM 0 H ILE A 45 17.380 20.509 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 45 16.605 23.264 -7.772 1.00 0.00 H new ATOM 0 HB ILE A 45 17.024 23.903 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.687 20.976 -4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.275 21.671 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.843 23.155 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.732 23.669 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.749 21.937 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.713 21.633 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.867 23.309 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.255 22.604 -2.901 1.00 0.00 H new ATOM 651 N LYS A 46 19.058 23.990 -7.235 1.00 0.00 N ATOM 652 CA LYS A 46 20.482 24.285 -7.337 1.00 0.00 C ATOM 653 C LYS A 46 20.855 25.471 -6.453 1.00 0.00 C ATOM 654 O LYS A 46 20.357 26.581 -6.642 1.00 0.00 O ATOM 655 CB LYS A 46 20.860 24.580 -8.790 1.00 0.00 C ATOM 656 CG LYS A 46 21.948 23.669 -9.332 1.00 0.00 C ATOM 657 CD LYS A 46 23.300 24.364 -9.348 1.00 0.00 C ATOM 658 CE LYS A 46 24.216 23.775 -10.410 1.00 0.00 C ATOM 659 NZ LYS A 46 24.149 24.539 -11.686 1.00 0.00 N ATOM 0 H LYS A 46 18.458 24.814 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 46 21.035 23.410 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.972 24.483 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.193 25.615 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.008 22.769 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.689 23.352 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.161 25.429 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.770 24.272 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.242 23.771 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.939 22.737 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 24.787 24.106 -12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.175 24.522 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.438 25.524 -11.517 1.00 0.00 H new ATOM 673 N VAL A 47 21.737 25.229 -5.488 1.00 0.00 N ATOM 674 CA VAL A 47 22.180 26.278 -4.576 1.00 0.00 C ATOM 675 C VAL A 47 23.661 26.582 -4.767 1.00 0.00 C ATOM 676 O VAL A 47 24.450 25.697 -5.096 1.00 0.00 O ATOM 677 CB VAL A 47 21.932 25.886 -3.108 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.213 27.063 -2.186 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.509 25.382 -2.924 1.00 0.00 C ATOM 0 H VAL A 47 22.159 24.316 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 47 21.597 27.169 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 47 22.616 25.079 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.032 26.767 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.252 27.373 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.556 27.893 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.352 25.109 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.806 26.167 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.348 24.508 -3.555 1.00 0.00 H new ATOM 689 N ASN A 48 24.033 27.841 -4.558 1.00 0.00 N ATOM 690 CA ASN A 48 25.421 28.263 -4.706 1.00 0.00 C ATOM 691 C ASN A 48 26.109 28.360 -3.348 1.00 0.00 C ATOM 692 O ASN A 48 25.565 27.925 -2.333 1.00 0.00 O ATOM 693 CB ASN A 48 25.491 29.613 -5.424 1.00 0.00 C ATOM 694 CG ASN A 48 24.154 30.028 -6.008 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.614 29.358 -6.888 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.614 31.138 -5.518 1.00 0.00 N ATOM 0 H ASN A 48 23.392 28.587 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 48 25.941 27.514 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.831 30.376 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 48 26.232 29.559 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.715 31.467 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.098 31.662 -4.789 1.00 0.00 H new ATOM 703 N ASP A 49 27.307 28.934 -3.338 1.00 0.00 N ATOM 704 CA ASP A 49 28.069 29.091 -2.104 1.00 0.00 C ATOM 705 C ASP A 49 27.406 30.109 -1.181 1.00 0.00 C ATOM 706 O ASP A 49 27.737 30.196 0.001 1.00 0.00 O ATOM 707 CB ASP A 49 29.502 29.523 -2.416 1.00 0.00 C ATOM 708 CG ASP A 49 30.472 28.358 -2.414 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.367 27.496 -3.312 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.338 28.309 -1.516 1.00 0.00 O ATOM 0 H ASP A 49 27.771 29.298 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 49 28.091 28.127 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.527 30.011 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.824 30.261 -1.681 1.00 0.00 H new ATOM 715 N GLU A 50 26.471 30.877 -1.731 1.00 0.00 N ATOM 716 CA GLU A 50 25.764 31.890 -0.956 1.00 0.00 C ATOM 717 C GLU A 50 24.597 31.274 -0.190 1.00 0.00 C ATOM 718 O GLU A 50 24.109 31.845 0.784 1.00 0.00 O ATOM 719 CB GLU A 50 25.253 33.002 -1.875 1.00 0.00 C ATOM 720 CG GLU A 50 26.014 34.309 -1.729 1.00 0.00 C ATOM 721 CD GLU A 50 26.093 34.781 -0.290 1.00 0.00 C ATOM 722 OE1 GLU A 50 25.037 35.127 0.279 1.00 0.00 O ATOM 723 OE2 GLU A 50 27.211 34.805 0.266 1.00 0.00 O ATOM 0 H GLU A 50 26.186 30.817 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 50 26.465 32.314 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.320 32.666 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.198 33.180 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.023 34.183 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.530 35.076 -2.333 1.00 0.00 H new ATOM 730 N GLY A 51 24.155 30.102 -0.638 1.00 0.00 N ATOM 731 CA GLY A 51 23.049 29.427 0.016 1.00 0.00 C ATOM 732 C GLY A 51 21.702 29.877 -0.512 1.00 0.00 C ATOM 733 O GLY A 51 20.701 29.832 0.204 1.00 0.00 O ATOM 0 H GLY A 51 24.543 29.608 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.150 28.351 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.096 29.614 1.089 1.00 0.00 H new ATOM 737 N ILE A 52 21.675 30.313 -1.767 1.00 0.00 N ATOM 738 CA ILE A 52 20.440 30.773 -2.389 1.00 0.00 C ATOM 739 C ILE A 52 20.111 29.951 -3.630 1.00 0.00 C ATOM 740 O ILE A 52 21.004 29.549 -4.376 1.00 0.00 O ATOM 741 CB ILE A 52 20.527 32.260 -2.781 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.800 33.121 -1.545 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.244 32.703 -3.469 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.770 32.949 -0.451 1.00 0.00 C ATOM 0 H ILE A 52 22.494 30.357 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 52 19.648 30.646 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 52 21.354 32.388 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.784 32.872 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.832 34.169 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.321 33.756 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.089 32.107 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.401 32.563 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.026 33.588 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.786 33.226 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.754 31.909 -0.127 1.00 0.00 H new ATOM 756 N ILE A 53 18.823 29.706 -3.846 1.00 0.00 N ATOM 757 CA ILE A 53 18.375 28.934 -4.998 1.00 0.00 C ATOM 758 C ILE A 53 18.517 29.737 -6.287 1.00 0.00 C ATOM 759 O ILE A 53 17.872 30.771 -6.459 1.00 0.00 O ATOM 760 CB ILE A 53 16.909 28.489 -4.843 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.745 27.625 -3.591 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.451 27.731 -6.080 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.479 26.305 -3.668 1.00 0.00 C ATOM 0 H ILE A 53 18.071 30.031 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 53 19.010 28.050 -5.051 1.00 0.00 H new ATOM 0 HB ILE A 53 16.286 29.376 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.105 28.182 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.684 27.433 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.413 27.423 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.535 28.377 -6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.076 26.849 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.318 25.745 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.103 25.728 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.545 26.489 -3.800 1.00 0.00 H new ATOM 775 N GLU A 54 19.364 29.253 -7.189 1.00 0.00 N ATOM 776 CA GLU A 54 19.590 29.926 -8.463 1.00 0.00 C ATOM 777 C GLU A 54 18.935 29.158 -9.608 1.00 0.00 C ATOM 778 O GLU A 54 18.588 29.735 -10.638 1.00 0.00 O ATOM 779 CB GLU A 54 21.089 30.076 -8.728 1.00 0.00 C ATOM 780 CG GLU A 54 21.418 30.487 -10.153 1.00 0.00 C ATOM 781 CD GLU A 54 22.816 31.060 -10.288 1.00 0.00 C ATOM 782 OE1 GLU A 54 23.789 30.291 -10.138 1.00 0.00 O ATOM 783 OE2 GLU A 54 22.936 32.276 -10.543 1.00 0.00 O ATOM 0 H GLU A 54 19.905 28.398 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 54 19.138 30.916 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.498 30.817 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.584 29.130 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.319 29.622 -10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.692 31.227 -10.490 1.00 0.00 H new ATOM 790 N ASP A 55 18.770 27.853 -9.419 1.00 0.00 N ATOM 791 CA ASP A 55 18.157 27.005 -10.434 1.00 0.00 C ATOM 792 C ASP A 55 17.142 26.054 -9.807 1.00 0.00 C ATOM 793 O ASP A 55 17.340 25.563 -8.697 1.00 0.00 O ATOM 794 CB ASP A 55 19.229 26.208 -11.179 1.00 0.00 C ATOM 795 CG ASP A 55 19.427 26.693 -12.601 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.416 26.921 -13.297 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.595 26.844 -13.019 1.00 0.00 O ATOM 0 H ASP A 55 19.052 27.360 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 55 17.636 27.648 -11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.173 26.281 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.950 25.154 -11.193 1.00 0.00 H new ATOM 802 N ALA A 56 16.053 25.801 -10.526 1.00 0.00 N ATOM 803 CA ALA A 56 15.007 24.909 -10.041 1.00 0.00 C ATOM 804 C ALA A 56 14.438 24.063 -11.175 1.00 0.00 C ATOM 805 O ALA A 56 13.883 24.592 -12.139 1.00 0.00 O ATOM 806 CB ALA A 56 13.901 25.709 -9.370 1.00 0.00 C ATOM 0 H ALA A 56 15.872 26.201 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 56 15.449 24.235 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.127 25.030 -9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.313 26.265 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.469 26.406 -10.088 1.00 0.00 H new ATOM 812 N ARG A 57 14.579 22.747 -11.053 1.00 0.00 N ATOM 813 CA ARG A 57 14.080 21.829 -12.069 1.00 0.00 C ATOM 814 C ARG A 57 12.924 20.993 -11.526 1.00 0.00 C ATOM 815 O ARG A 57 12.598 21.061 -10.341 1.00 0.00 O ATOM 816 CB ARG A 57 15.204 20.911 -12.554 1.00 0.00 C ATOM 817 CG ARG A 57 15.807 21.335 -13.882 1.00 0.00 C ATOM 818 CD ARG A 57 14.774 21.306 -14.998 1.00 0.00 C ATOM 819 NE ARG A 57 14.244 22.636 -15.289 1.00 0.00 N ATOM 820 CZ ARG A 57 13.103 22.847 -15.936 1.00 0.00 C ATOM 821 NH1 ARG A 57 12.376 21.821 -16.357 1.00 0.00 N ATOM 822 NH2 ARG A 57 12.687 24.086 -16.162 1.00 0.00 N ATOM 0 H ARG A 57 15.034 22.293 -10.261 1.00 0.00 H new ATOM 0 HA ARG A 57 13.715 22.420 -12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.990 20.884 -11.800 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.818 19.896 -12.648 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.218 22.340 -13.792 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.636 20.673 -14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.226 20.891 -15.899 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.956 20.643 -14.717 1.00 0.00 H new ATOM 0 HE ARG A 57 14.779 23.447 -14.978 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.692 20.867 -16.184 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.500 21.986 -16.853 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.243 24.878 -15.839 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.811 24.247 -16.659 1.00 0.00 H new ATOM 836 N PHE A 58 12.308 20.205 -12.401 1.00 0.00 N ATOM 837 CA PHE A 58 11.188 19.357 -12.010 1.00 0.00 C ATOM 838 C PHE A 58 10.874 18.335 -13.098 1.00 0.00 C ATOM 839 O PHE A 58 11.062 18.598 -14.287 1.00 0.00 O ATOM 840 CB PHE A 58 9.951 20.210 -11.723 1.00 0.00 C ATOM 841 CG PHE A 58 9.474 20.993 -12.913 1.00 0.00 C ATOM 842 CD1 PHE A 58 10.064 22.202 -13.245 1.00 0.00 C ATOM 843 CD2 PHE A 58 8.435 20.521 -13.699 1.00 0.00 C ATOM 844 CE1 PHE A 58 9.626 22.925 -14.339 1.00 0.00 C ATOM 845 CE2 PHE A 58 7.993 21.239 -14.794 1.00 0.00 C ATOM 846 CZ PHE A 58 8.591 22.442 -15.115 1.00 0.00 C ATOM 0 H PHE A 58 12.566 20.136 -13.386 1.00 0.00 H new ATOM 0 HA PHE A 58 11.469 18.821 -11.103 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.145 19.563 -11.377 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.176 20.900 -10.910 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.875 22.584 -12.643 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.965 19.580 -13.453 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.093 23.867 -14.586 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.182 20.860 -15.398 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.250 23.004 -15.972 1.00 0.00 H new ATOM 856 N LYS A 59 10.394 17.167 -12.684 1.00 0.00 N ATOM 857 CA LYS A 59 10.052 16.104 -13.622 1.00 0.00 C ATOM 858 C LYS A 59 8.571 15.753 -13.529 1.00 0.00 C ATOM 859 O LYS A 59 7.906 16.072 -12.543 1.00 0.00 O ATOM 860 CB LYS A 59 10.900 14.860 -13.345 1.00 0.00 C ATOM 861 CG LYS A 59 12.240 14.867 -14.060 1.00 0.00 C ATOM 862 CD LYS A 59 12.891 13.494 -14.037 1.00 0.00 C ATOM 863 CE LYS A 59 13.303 13.096 -12.628 1.00 0.00 C ATOM 864 NZ LYS A 59 13.549 11.631 -12.515 1.00 0.00 N ATOM 0 H LYS A 59 10.233 16.933 -11.704 1.00 0.00 H new ATOM 0 HA LYS A 59 10.260 16.462 -14.630 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.071 14.778 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.341 13.974 -13.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.101 15.188 -15.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.902 15.593 -13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.197 12.754 -14.437 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.766 13.494 -14.687 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.205 13.639 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.523 13.389 -11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.828 11.400 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.681 11.113 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.311 11.356 -13.167 1.00 0.00 H new ATOM 978 N ALA A 68 0.273 21.614 -11.653 1.00 0.00 N ATOM 979 CA ALA A 68 0.345 23.049 -11.411 1.00 0.00 C ATOM 980 C ALA A 68 1.029 23.348 -10.082 1.00 0.00 C ATOM 981 O ALA A 68 1.891 24.223 -9.999 1.00 0.00 O ATOM 982 CB ALA A 68 -1.049 23.659 -11.439 1.00 0.00 C ATOM 0 HA ALA A 68 0.942 23.497 -12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.981 24.731 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.503 23.485 -12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.663 23.198 -10.666 1.00 0.00 H new ATOM 988 N SER A 69 0.638 22.617 -9.043 1.00 0.00 N ATOM 989 CA SER A 69 1.211 22.807 -7.715 1.00 0.00 C ATOM 990 C SER A 69 2.727 22.644 -7.749 1.00 0.00 C ATOM 991 O SER A 69 3.441 23.192 -6.910 1.00 0.00 O ATOM 992 CB SER A 69 0.601 21.812 -6.726 1.00 0.00 C ATOM 993 OG SER A 69 1.343 20.605 -6.695 1.00 0.00 O ATOM 0 H SER A 69 -0.073 21.888 -9.095 1.00 0.00 H new ATOM 0 HA SER A 69 0.980 23.821 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.576 22.253 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.431 21.601 -7.007 1.00 0.00 H new ATOM 0 HG SER A 69 0.851 19.931 -6.181 1.00 0.00 H new ATOM 999 N SER A 70 3.212 21.885 -8.727 1.00 0.00 N ATOM 1000 CA SER A 70 4.643 21.644 -8.870 1.00 0.00 C ATOM 1001 C SER A 70 5.306 22.768 -9.661 1.00 0.00 C ATOM 1002 O SER A 70 6.356 23.280 -9.272 1.00 0.00 O ATOM 1003 CB SER A 70 4.890 20.303 -9.562 1.00 0.00 C ATOM 1004 OG SER A 70 6.262 20.136 -9.877 1.00 0.00 O ATOM 0 H SER A 70 2.635 21.427 -9.432 1.00 0.00 H new ATOM 0 HA SER A 70 5.083 21.616 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.561 19.490 -8.915 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.295 20.246 -10.473 1.00 0.00 H new ATOM 0 HG SER A 70 6.401 19.251 -10.274 1.00 0.00 H new ATOM 1010 N SER A 71 4.685 23.146 -10.774 1.00 0.00 N ATOM 1011 CA SER A 71 5.216 24.206 -11.623 1.00 0.00 C ATOM 1012 C SER A 71 5.203 25.545 -10.893 1.00 0.00 C ATOM 1013 O SER A 71 5.958 26.458 -11.231 1.00 0.00 O ATOM 1014 CB SER A 71 4.403 24.308 -12.915 1.00 0.00 C ATOM 1015 OG SER A 71 4.913 25.325 -13.759 1.00 0.00 O ATOM 0 H SER A 71 3.814 22.734 -11.109 1.00 0.00 H new ATOM 0 HA SER A 71 6.248 23.957 -11.870 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.424 23.352 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.360 24.518 -12.677 1.00 0.00 H new ATOM 0 HG SER A 71 4.377 25.369 -14.578 1.00 0.00 H new ATOM 1021 N LEU A 72 4.339 25.656 -9.889 1.00 0.00 N ATOM 1022 CA LEU A 72 4.226 26.883 -9.109 1.00 0.00 C ATOM 1023 C LEU A 72 5.305 26.946 -8.033 1.00 0.00 C ATOM 1024 O LEU A 72 6.019 27.942 -7.912 1.00 0.00 O ATOM 1025 CB LEU A 72 2.841 26.976 -8.465 1.00 0.00 C ATOM 1026 CG LEU A 72 2.686 28.015 -7.354 1.00 0.00 C ATOM 1027 CD1 LEU A 72 1.282 28.600 -7.363 1.00 0.00 C ATOM 1028 CD2 LEU A 72 3.000 27.398 -5.999 1.00 0.00 C ATOM 0 H LEU A 72 3.707 24.911 -9.597 1.00 0.00 H new ATOM 0 HA LEU A 72 4.363 27.727 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.113 27.197 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.585 25.998 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 72 3.395 28.822 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.190 29.337 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.094 29.079 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.555 27.803 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.885 28.152 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.316 26.571 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.025 27.028 -5.997 1.00 0.00 H new ATOM 1040 N VAL A 73 5.420 25.875 -7.254 1.00 0.00 N ATOM 1041 CA VAL A 73 6.414 25.807 -6.190 1.00 0.00 C ATOM 1042 C VAL A 73 7.827 25.926 -6.750 1.00 0.00 C ATOM 1043 O VAL A 73 8.748 26.360 -6.057 1.00 0.00 O ATOM 1044 CB VAL A 73 6.298 24.493 -5.396 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.957 24.417 -4.683 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.490 23.296 -6.316 1.00 0.00 C ATOM 0 H VAL A 73 4.837 25.043 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 73 6.219 26.645 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 73 7.085 24.473 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.893 23.482 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.863 25.256 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.152 24.459 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.405 22.376 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.726 23.308 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.477 23.345 -6.776 1.00 0.00 H new ATOM 1056 N THR A 74 7.993 25.539 -8.011 1.00 0.00 N ATOM 1057 CA THR A 74 9.294 25.601 -8.665 1.00 0.00 C ATOM 1058 C THR A 74 9.676 27.040 -8.993 1.00 0.00 C ATOM 1059 O THR A 74 10.788 27.478 -8.701 1.00 0.00 O ATOM 1060 CB THR A 74 9.312 24.769 -9.961 1.00 0.00 C ATOM 1061 OG1 THR A 74 8.018 24.789 -10.574 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.721 23.332 -9.676 1.00 0.00 C ATOM 0 H THR A 74 7.242 25.179 -8.600 1.00 0.00 H new ATOM 0 HA THR A 74 10.019 25.185 -7.966 1.00 0.00 H new ATOM 0 HB THR A 74 10.042 25.210 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.469 24.066 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.726 22.764 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.718 23.318 -9.236 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.012 22.883 -8.981 1.00 0.00 H new ATOM 1070 N GLU A 75 8.747 27.770 -9.601 1.00 0.00 N ATOM 1071 CA GLU A 75 8.988 29.160 -9.969 1.00 0.00 C ATOM 1072 C GLU A 75 9.167 30.028 -8.727 1.00 0.00 C ATOM 1073 O GLU A 75 9.744 31.114 -8.793 1.00 0.00 O ATOM 1074 CB GLU A 75 7.831 29.695 -10.816 1.00 0.00 C ATOM 1075 CG GLU A 75 7.545 28.860 -12.052 1.00 0.00 C ATOM 1076 CD GLU A 75 8.423 29.238 -13.228 1.00 0.00 C ATOM 1077 OE1 GLU A 75 8.077 30.205 -13.940 1.00 0.00 O ATOM 1078 OE2 GLU A 75 9.457 28.569 -13.437 1.00 0.00 O ATOM 0 H GLU A 75 7.821 27.422 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 75 9.906 29.200 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.932 29.739 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.058 30.716 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.694 27.806 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.498 28.979 -12.332 1.00 0.00 H new ATOM 1085 N TRP A 76 8.669 29.542 -7.596 1.00 0.00 N ATOM 1086 CA TRP A 76 8.773 30.273 -6.338 1.00 0.00 C ATOM 1087 C TRP A 76 10.155 30.096 -5.718 1.00 0.00 C ATOM 1088 O TRP A 76 10.784 31.064 -5.292 1.00 0.00 O ATOM 1089 CB TRP A 76 7.697 29.800 -5.359 1.00 0.00 C ATOM 1090 CG TRP A 76 6.581 30.785 -5.183 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.242 30.518 -5.206 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.707 32.193 -4.960 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.528 31.676 -5.010 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.404 32.717 -4.856 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.795 33.062 -4.836 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.162 34.070 -4.635 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.552 34.405 -4.617 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.245 34.899 -4.517 1.00 0.00 C ATOM 0 H TRP A 76 8.189 28.645 -7.524 1.00 0.00 H new ATOM 0 HA TRP A 76 8.623 31.332 -6.548 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.285 28.854 -5.712 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.157 29.606 -4.390 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.808 29.541 -5.356 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.511 31.748 -4.984 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.807 32.691 -4.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.155 34.452 -4.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.385 35.086 -4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.089 35.953 -4.344 1.00 0.00 H new ATOM 1109 N VAL A 77 10.623 28.852 -5.671 1.00 0.00 N ATOM 1110 CA VAL A 77 11.932 28.549 -5.105 1.00 0.00 C ATOM 1111 C VAL A 77 13.049 29.143 -5.954 1.00 0.00 C ATOM 1112 O VAL A 77 14.123 29.469 -5.447 1.00 0.00 O ATOM 1113 CB VAL A 77 12.150 27.029 -4.978 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.179 26.432 -3.972 1.00 0.00 C ATOM 1115 CG2 VAL A 77 12.005 26.356 -6.335 1.00 0.00 C ATOM 0 H VAL A 77 10.115 28.038 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 77 11.959 28.997 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 77 13.163 26.854 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.348 25.358 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.335 26.894 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.156 26.616 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.162 25.283 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.004 26.539 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.745 26.764 -7.024 1.00 0.00 H new ATOM 1125 N LYS A 78 12.790 29.282 -7.250 1.00 0.00 N ATOM 1126 CA LYS A 78 13.773 29.839 -8.172 1.00 0.00 C ATOM 1127 C LYS A 78 14.153 31.260 -7.768 1.00 0.00 C ATOM 1128 O LYS A 78 13.461 32.218 -8.109 1.00 0.00 O ATOM 1129 CB LYS A 78 13.224 29.832 -9.600 1.00 0.00 C ATOM 1130 CG LYS A 78 13.800 28.727 -10.468 1.00 0.00 C ATOM 1131 CD LYS A 78 14.226 29.252 -11.829 1.00 0.00 C ATOM 1132 CE LYS A 78 13.049 29.334 -12.788 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.897 28.088 -13.589 1.00 0.00 N ATOM 0 H LYS A 78 11.907 29.016 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 78 14.667 29.217 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.140 29.725 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.434 30.795 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.657 28.278 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.057 27.940 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.674 30.239 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.993 28.601 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.134 29.517 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.186 30.182 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.084 28.184 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.760 27.926 -14.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.741 27.282 -12.951 1.00 0.00 H new ATOM 1147 N GLY A 79 15.259 31.388 -7.041 1.00 0.00 N ATOM 1148 CA GLY A 79 15.712 32.696 -6.605 1.00 0.00 C ATOM 1149 C GLY A 79 15.455 32.937 -5.131 1.00 0.00 C ATOM 1150 O GLY A 79 15.662 34.042 -4.629 1.00 0.00 O ATOM 0 H GLY A 79 15.849 30.610 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.779 32.793 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.207 33.465 -7.189 1.00 0.00 H new ATOM 1154 N LYS A 80 14.999 31.902 -4.434 1.00 0.00 N ATOM 1155 CA LYS A 80 14.711 32.005 -3.009 1.00 0.00 C ATOM 1156 C LYS A 80 15.766 31.271 -2.187 1.00 0.00 C ATOM 1157 O LYS A 80 16.422 30.353 -2.679 1.00 0.00 O ATOM 1158 CB LYS A 80 13.324 31.434 -2.705 1.00 0.00 C ATOM 1159 CG LYS A 80 12.425 32.394 -1.944 1.00 0.00 C ATOM 1160 CD LYS A 80 11.479 33.130 -2.878 1.00 0.00 C ATOM 1161 CE LYS A 80 10.037 33.024 -2.408 1.00 0.00 C ATOM 1162 NZ LYS A 80 9.476 31.665 -2.641 1.00 0.00 N ATOM 0 H LYS A 80 14.821 30.981 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 80 14.731 33.060 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.839 31.161 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.436 30.518 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.849 31.843 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.037 33.115 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.767 34.180 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.566 32.719 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.983 33.262 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.429 33.762 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.762 31.709 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.240 31.018 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.034 31.317 -1.766 1.00 0.00 H new ATOM 1176 N SER A 81 15.921 31.680 -0.931 1.00 0.00 N ATOM 1177 CA SER A 81 16.898 31.062 -0.042 1.00 0.00 C ATOM 1178 C SER A 81 16.403 29.705 0.449 1.00 0.00 C ATOM 1179 O SER A 81 15.285 29.290 0.143 1.00 0.00 O ATOM 1180 CB SER A 81 17.182 31.976 1.152 1.00 0.00 C ATOM 1181 OG SER A 81 16.034 32.115 1.972 1.00 0.00 O ATOM 0 H SER A 81 15.383 32.436 -0.507 1.00 0.00 H new ATOM 0 HA SER A 81 17.820 30.912 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.005 31.568 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.500 32.956 0.796 1.00 0.00 H new ATOM 0 HG SER A 81 16.242 32.702 2.729 1.00 0.00 H new ATOM 1187 N LEU A 82 17.245 29.017 1.212 1.00 0.00 N ATOM 1188 CA LEU A 82 16.895 27.705 1.747 1.00 0.00 C ATOM 1189 C LEU A 82 15.792 27.820 2.794 1.00 0.00 C ATOM 1190 O LEU A 82 14.838 27.042 2.793 1.00 0.00 O ATOM 1191 CB LEU A 82 18.127 27.037 2.359 1.00 0.00 C ATOM 1192 CG LEU A 82 19.404 27.084 1.519 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.624 26.814 2.386 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.327 26.082 0.376 1.00 0.00 C ATOM 0 H LEU A 82 18.174 29.345 1.474 1.00 0.00 H new ATOM 0 HA LEU A 82 16.527 27.091 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.331 27.508 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.887 25.993 2.560 1.00 0.00 H new ATOM 0 HG LEU A 82 19.500 28.083 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.523 26.852 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.688 27.570 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.536 25.827 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.244 26.129 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.206 25.077 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.475 26.321 -0.261 1.00 0.00 H new ATOM 1206 N ASP A 83 15.928 28.797 3.684 1.00 0.00 N ATOM 1207 CA ASP A 83 14.941 29.017 4.735 1.00 0.00 C ATOM 1208 C ASP A 83 13.623 29.510 4.148 1.00 0.00 C ATOM 1209 O ASP A 83 12.548 29.062 4.547 1.00 0.00 O ATOM 1210 CB ASP A 83 15.468 30.026 5.756 1.00 0.00 C ATOM 1211 CG ASP A 83 16.134 29.356 6.942 1.00 0.00 C ATOM 1212 OD1 ASP A 83 15.449 28.589 7.652 1.00 0.00 O ATOM 1213 OD2 ASP A 83 17.339 29.598 7.160 1.00 0.00 O ATOM 0 H ASP A 83 16.712 29.449 3.699 1.00 0.00 H new ATOM 0 HA ASP A 83 14.762 28.066 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.182 30.691 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.644 30.646 6.108 1.00 0.00 H new ATOM 1218 N GLU A 84 13.713 30.436 3.198 1.00 0.00 N ATOM 1219 CA GLU A 84 12.526 30.991 2.558 1.00 0.00 C ATOM 1220 C GLU A 84 11.661 29.884 1.963 1.00 0.00 C ATOM 1221 O GLU A 84 10.499 29.723 2.334 1.00 0.00 O ATOM 1222 CB GLU A 84 12.927 31.983 1.464 1.00 0.00 C ATOM 1223 CG GLU A 84 13.198 33.385 1.983 1.00 0.00 C ATOM 1224 CD GLU A 84 12.151 34.386 1.534 1.00 0.00 C ATOM 1225 OE1 GLU A 84 10.951 34.046 1.565 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.534 35.512 1.150 1.00 0.00 O ATOM 0 H GLU A 84 14.595 30.817 2.855 1.00 0.00 H new ATOM 0 HA GLU A 84 11.945 31.514 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.819 31.613 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.134 32.028 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.232 33.365 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.179 33.712 1.639 1.00 0.00 H new ATOM 1233 N ALA A 85 12.236 29.123 1.038 1.00 0.00 N ATOM 1234 CA ALA A 85 11.519 28.031 0.392 1.00 0.00 C ATOM 1235 C ALA A 85 10.952 27.061 1.424 1.00 0.00 C ATOM 1236 O ALA A 85 9.814 26.609 1.303 1.00 0.00 O ATOM 1237 CB ALA A 85 12.435 27.297 -0.576 1.00 0.00 C ATOM 0 H ALA A 85 13.197 29.243 0.719 1.00 0.00 H new ATOM 0 HA ALA A 85 10.685 28.457 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.886 26.484 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.789 27.990 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.288 26.890 -0.032 1.00 0.00 H new ATOM 1243 N GLN A 86 11.753 26.747 2.437 1.00 0.00 N ATOM 1244 CA GLN A 86 11.330 25.829 3.488 1.00 0.00 C ATOM 1245 C GLN A 86 10.308 26.489 4.407 1.00 0.00 C ATOM 1246 O GLN A 86 9.679 25.825 5.230 1.00 0.00 O ATOM 1247 CB GLN A 86 12.538 25.361 4.302 1.00 0.00 C ATOM 1248 CG GLN A 86 12.446 23.911 4.748 1.00 0.00 C ATOM 1249 CD GLN A 86 12.489 23.760 6.255 1.00 0.00 C ATOM 1250 OE1 GLN A 86 13.255 22.956 6.789 1.00 0.00 O ATOM 1251 NE2 GLN A 86 11.665 24.533 6.952 1.00 0.00 N ATOM 0 H GLN A 86 12.698 27.114 2.552 1.00 0.00 H new ATOM 0 HA GLN A 86 10.863 24.965 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.441 25.492 3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.642 25.997 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.521 23.477 4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.267 23.346 4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.047 25.185 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.650 24.475 7.970 1.00 0.00 H new ATOM 1260 N ALA A 87 10.147 27.800 4.261 1.00 0.00 N ATOM 1261 CA ALA A 87 9.199 28.549 5.076 1.00 0.00 C ATOM 1262 C ALA A 87 7.815 28.563 4.437 1.00 0.00 C ATOM 1263 O ALA A 87 6.814 28.813 5.108 1.00 0.00 O ATOM 1264 CB ALA A 87 9.697 29.971 5.292 1.00 0.00 C ATOM 0 H ALA A 87 10.661 28.365 3.585 1.00 0.00 H new ATOM 0 HA ALA A 87 9.118 28.052 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.979 30.519 5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.661 29.946 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.808 30.468 4.328 1.00 0.00 H new ATOM 1270 N ILE A 88 7.766 28.293 3.137 1.00 0.00 N ATOM 1271 CA ILE A 88 6.504 28.274 2.408 1.00 0.00 C ATOM 1272 C ILE A 88 5.474 27.401 3.116 1.00 0.00 C ATOM 1273 O ILE A 88 5.801 26.337 3.643 1.00 0.00 O ATOM 1274 CB ILE A 88 6.693 27.760 0.968 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.628 28.689 0.191 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.348 27.645 0.266 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.081 28.118 -1.135 1.00 0.00 C ATOM 0 H ILE A 88 8.586 28.084 2.567 1.00 0.00 H new ATOM 0 HA ILE A 88 6.144 29.302 2.374 1.00 0.00 H new ATOM 0 HB ILE A 88 7.146 26.769 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.121 29.638 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.504 28.905 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.498 27.281 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.711 26.948 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.870 28.624 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.741 28.830 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.617 27.184 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.212 27.928 -1.765 1.00 0.00 H new ATOM 1289 N LYS A 89 4.225 27.856 3.123 1.00 0.00 N ATOM 1290 CA LYS A 89 3.144 27.116 3.763 1.00 0.00 C ATOM 1291 C LYS A 89 2.153 26.596 2.726 1.00 0.00 C ATOM 1292 O LYS A 89 1.751 27.323 1.819 1.00 0.00 O ATOM 1293 CB LYS A 89 2.419 28.005 4.775 1.00 0.00 C ATOM 1294 CG LYS A 89 3.024 27.959 6.168 1.00 0.00 C ATOM 1295 CD LYS A 89 3.862 29.194 6.454 1.00 0.00 C ATOM 1296 CE LYS A 89 2.989 30.394 6.788 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.500 30.350 8.194 1.00 0.00 N ATOM 0 H LYS A 89 3.937 28.734 2.692 1.00 0.00 H new ATOM 0 HA LYS A 89 3.580 26.263 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.431 29.034 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.374 27.700 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.228 27.879 6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.643 27.067 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.538 28.992 7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.482 29.423 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.556 31.311 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.138 30.424 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.909 31.185 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.937 29.487 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.312 30.347 8.844 1.00 0.00 H new ATOM 1311 N ASN A 90 1.762 25.333 2.869 1.00 0.00 N ATOM 1312 CA ASN A 90 0.817 24.717 1.946 1.00 0.00 C ATOM 1313 C ASN A 90 -0.417 25.595 1.763 1.00 0.00 C ATOM 1314 O ASN A 90 -1.086 25.540 0.731 1.00 0.00 O ATOM 1315 CB ASN A 90 0.403 23.335 2.455 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.164 23.382 3.861 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -1.470 23.599 3.965 1.00 0.00 O flip ATOM 1318 ND2 ASN A 90 0.564 23.226 4.841 1.00 0.00 N flip ATOM 0 H ASN A 90 2.085 24.717 3.615 1.00 0.00 H new ATOM 0 HA ASN A 90 1.310 24.609 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.340 22.910 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.267 22.670 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.563 23.062 4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.169 23.261 5.781 1.00 0.00 H new ATOM 1325 N THR A 91 -0.714 26.406 2.774 1.00 0.00 N ATOM 1326 CA THR A 91 -1.867 27.296 2.726 1.00 0.00 C ATOM 1327 C THR A 91 -1.806 28.211 1.508 1.00 0.00 C ATOM 1328 O THR A 91 -2.831 28.517 0.898 1.00 0.00 O ATOM 1329 CB THR A 91 -1.963 28.160 3.997 1.00 0.00 C ATOM 1330 OG1 THR A 91 -0.963 29.184 3.971 1.00 0.00 O ATOM 1331 CG2 THR A 91 -1.790 27.307 5.245 1.00 0.00 C ATOM 0 H THR A 91 -0.172 26.464 3.636 1.00 0.00 H new ATOM 0 HA THR A 91 -2.751 26.663 2.658 1.00 0.00 H new ATOM 0 HB THR A 91 -2.951 28.619 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.032 29.730 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.862 27.939 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.571 26.547 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.814 26.823 5.223 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.599 28.642 1.158 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.404 29.521 0.010 1.00 0.00 C ATOM 1341 C ASP A 92 -0.587 28.756 -1.297 1.00 0.00 C ATOM 1342 O ASP A 92 -1.248 29.233 -2.220 1.00 0.00 O ATOM 1343 CB ASP A 92 0.987 30.153 0.055 1.00 0.00 C ATOM 1344 CG ASP A 92 0.945 31.619 0.439 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.105 31.987 1.287 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.752 32.399 -0.108 1.00 0.00 O ATOM 0 H ASP A 92 0.259 28.397 1.652 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.154 30.310 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.606 29.611 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.462 30.050 -0.921 1.00 0.00 H new ATOM 1351 N ILE A 93 0.004 27.568 -1.369 1.00 0.00 N ATOM 1352 CA ILE A 93 -0.093 26.737 -2.563 1.00 0.00 C ATOM 1353 C ILE A 93 -1.527 26.273 -2.794 1.00 0.00 C ATOM 1354 O ILE A 93 -2.096 26.491 -3.863 1.00 0.00 O ATOM 1355 CB ILE A 93 0.825 25.504 -2.467 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.286 25.938 -2.340 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.636 24.608 -3.682 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.843 25.786 -0.942 1.00 0.00 C ATOM 0 H ILE A 93 0.555 27.159 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 93 0.227 27.353 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 93 0.556 24.937 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.892 25.350 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.375 26.980 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.291 23.741 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.401 24.276 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.882 25.165 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.883 26.113 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.261 26.395 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.787 24.740 -0.640 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.107 25.634 -1.783 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.476 25.142 -1.874 1.00 0.00 C ATOM 1372 C ALA A 94 -4.421 26.237 -2.358 1.00 0.00 C ATOM 1373 O ALA A 94 -5.248 26.009 -3.240 1.00 0.00 O ATOM 1374 CB ALA A 94 -3.934 24.604 -0.527 1.00 0.00 C ATOM 0 H ALA A 94 -1.650 25.445 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.497 24.331 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.958 24.240 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.282 23.786 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.891 25.400 0.216 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.292 27.424 -1.775 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.137 28.553 -2.146 1.00 0.00 C ATOM 1382 C GLU A 95 -4.683 29.159 -3.471 1.00 0.00 C ATOM 1383 O GLU A 95 -5.447 29.852 -4.142 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.112 29.620 -1.050 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.885 29.228 0.199 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.383 29.392 0.033 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.978 28.631 -0.759 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.960 30.279 0.695 1.00 0.00 O ATOM 0 H GLU A 95 -3.611 27.629 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.157 28.187 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.077 29.824 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.526 30.547 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.662 28.191 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.547 29.837 1.037 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.433 28.894 -3.839 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.877 29.414 -5.083 1.00 0.00 C ATOM 1397 C GLU A 96 -3.495 28.715 -6.290 1.00 0.00 C ATOM 1398 O GLU A 96 -3.905 29.363 -7.255 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.357 29.238 -5.101 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.593 30.508 -4.763 1.00 0.00 C ATOM 1401 CD GLU A 96 -0.480 31.452 -5.943 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -1.030 31.128 -7.017 1.00 0.00 O ATOM 1403 OE2 GLU A 96 0.158 32.515 -5.795 1.00 0.00 O ATOM 0 H GLU A 96 -2.787 28.323 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.114 30.476 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.082 28.458 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.051 28.892 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.092 31.019 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.406 30.245 -4.416 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.559 27.390 -6.230 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.127 26.601 -7.318 1.00 0.00 C ATOM 1412 C LEU A 97 -5.574 26.223 -7.019 1.00 0.00 C ATOM 1413 O LEU A 97 -6.273 25.680 -7.874 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.295 25.338 -7.547 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.036 25.509 -8.398 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -2.393 26.038 -9.778 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.047 26.437 -7.708 1.00 0.00 C ATOM 0 H LEU A 97 -3.225 26.839 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.109 27.209 -8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.002 24.939 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.930 24.589 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.565 24.533 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.485 26.153 -10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.063 25.336 -10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.888 27.004 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.157 26.547 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.508 27.413 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.766 26.017 -6.742 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.017 26.515 -5.800 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.382 26.207 -5.390 1.00 0.00 C ATOM 1431 C GLU A 98 -7.714 24.743 -5.663 1.00 0.00 C ATOM 1432 O GLU A 98 -8.650 24.434 -6.402 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.375 27.112 -6.122 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.466 28.512 -5.539 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.898 28.971 -5.344 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.696 28.196 -4.777 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.221 30.104 -5.759 1.00 0.00 O ATOM 0 H GLU A 98 -5.451 26.964 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.461 26.386 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.085 27.182 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.362 26.651 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.947 28.537 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.951 29.210 -6.199 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.941 23.845 -5.063 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.152 22.412 -5.241 1.00 0.00 C ATOM 1446 C LEU A 99 -8.499 21.985 -4.667 1.00 0.00 C ATOM 1447 O LEU A 99 -8.996 22.554 -3.695 1.00 0.00 O ATOM 1448 CB LEU A 99 -6.025 21.624 -4.570 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.759 21.422 -5.403 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -5.038 20.505 -6.584 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.216 22.760 -5.881 1.00 0.00 C ATOM 0 H LEU A 99 -6.162 24.083 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.150 22.199 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.751 22.135 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.411 20.644 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.004 20.950 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.126 20.373 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.380 19.536 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.809 20.948 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.315 22.597 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.967 23.259 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.977 23.384 -5.020 1.00 0.00 H new ATOM 1463 N PRO A 100 -9.104 20.957 -5.280 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.401 20.428 -4.846 1.00 0.00 C ATOM 1465 C PRO A 100 -10.312 19.704 -3.507 1.00 0.00 C ATOM 1466 O PRO A 100 -9.248 19.247 -3.091 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.775 19.448 -5.960 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.473 19.035 -6.555 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.569 20.232 -6.445 1.00 0.00 C ATOM 0 HA PRO A 100 -11.134 21.220 -4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.320 18.590 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.418 19.920 -6.703 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.055 18.180 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.597 18.734 -7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.530 19.939 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.599 20.843 -7.347 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.456 19.596 -2.815 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.533 18.928 -1.513 1.00 0.00 C ATOM 1479 C PRO A 101 -11.344 17.419 -1.624 1.00 0.00 C ATOM 1480 O PRO A 101 -11.224 16.722 -0.616 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.948 19.254 -1.030 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.726 19.502 -2.276 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.762 20.118 -3.251 1.00 0.00 C ATOM 0 HA PRO A 101 -10.748 19.264 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.371 18.429 -0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.953 20.129 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.139 18.573 -2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.567 20.169 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.988 19.828 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.793 21.207 -3.213 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.316 16.919 -2.855 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.139 15.493 -3.098 1.00 0.00 C ATOM 1493 C VAL A 102 -9.805 15.003 -2.547 1.00 0.00 C ATOM 1494 O VAL A 102 -9.703 13.886 -2.039 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.212 15.166 -4.602 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.595 15.481 -5.151 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -10.139 15.929 -5.365 1.00 0.00 C ATOM 0 H VAL A 102 -11.414 17.481 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.952 14.981 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.030 14.099 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.627 15.244 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.340 14.885 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.810 16.540 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.205 15.686 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.287 17.000 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.155 15.648 -4.989 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.783 15.846 -2.649 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.454 15.501 -2.159 1.00 0.00 C ATOM 1509 C LYS A 103 -6.633 16.756 -1.883 1.00 0.00 C ATOM 1510 O LYS A 103 -5.599 16.984 -2.512 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.727 14.616 -3.175 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.685 13.704 -2.551 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.330 12.539 -1.819 1.00 0.00 C ATOM 1514 CE LYS A 103 -5.967 12.539 -0.342 1.00 0.00 C ATOM 1515 NZ LYS A 103 -6.913 11.716 0.462 1.00 0.00 N ATOM 0 H LYS A 103 -8.850 16.774 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.570 14.951 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.460 14.007 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.244 15.251 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.021 13.324 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.069 14.275 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.413 12.594 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.011 11.601 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.955 12.155 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.968 13.563 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.631 11.742 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.875 12.098 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.894 10.733 0.122 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.099 17.567 -0.939 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.406 18.798 -0.579 1.00 0.00 C ATOM 1531 C ILE A 104 -4.934 18.533 -0.282 1.00 0.00 C ATOM 1532 O ILE A 104 -4.094 19.423 -0.412 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.053 19.470 0.647 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.511 19.824 0.351 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.270 20.712 1.044 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.671 20.883 -0.717 1.00 0.00 C ATOM 0 H ILE A 104 -7.954 17.394 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.487 19.468 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.032 18.769 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.039 18.923 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.986 20.171 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.739 21.176 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.246 20.433 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.263 21.419 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.731 21.084 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.172 21.798 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.226 20.531 -1.648 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.628 17.302 0.116 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.256 16.918 0.429 1.00 0.00 C ATOM 1550 C HIS A 105 -2.333 17.189 -0.755 1.00 0.00 C ATOM 1551 O HIS A 105 -1.119 17.320 -0.591 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.193 15.440 0.813 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.661 15.201 2.193 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -3.091 15.906 3.297 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.729 14.329 2.644 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -2.446 15.478 4.368 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -1.614 14.521 3.999 1.00 0.00 N ATOM 0 H HIS A 105 -5.312 16.553 0.229 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.920 17.519 1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.192 15.011 0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.565 14.913 0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.178 13.615 2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.577 15.848 5.374 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.988 14.008 4.620 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.915 17.271 -1.946 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.144 17.524 -3.158 1.00 0.00 C ATOM 1567 C CYS A 106 -1.408 18.857 -3.066 1.00 0.00 C ATOM 1568 O CYS A 106 -0.441 19.095 -3.789 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.061 17.518 -4.382 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.566 15.866 -4.917 1.00 0.00 S ATOM 0 H CYS A 106 -3.918 17.166 -2.098 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.406 16.728 -3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -3.952 18.104 -4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.551 18.016 -5.207 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.341 15.964 -5.956 1.00 0.00 H new ATOM 1576 N SER A 107 -1.874 19.724 -2.172 1.00 0.00 N ATOM 1577 CA SER A 107 -1.264 21.035 -1.989 1.00 0.00 C ATOM 1578 C SER A 107 -0.151 20.976 -0.948 1.00 0.00 C ATOM 1579 O SER A 107 0.859 21.671 -1.063 1.00 0.00 O ATOM 1580 CB SER A 107 -2.320 22.058 -1.565 1.00 0.00 C ATOM 1581 OG SER A 107 -3.493 21.935 -2.351 1.00 0.00 O ATOM 0 H SER A 107 -2.672 19.542 -1.563 1.00 0.00 H new ATOM 0 HA SER A 107 -0.832 21.343 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.567 21.916 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.916 23.065 -1.664 1.00 0.00 H new ATOM 0 HG SER A 107 -4.029 21.183 -2.023 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.343 20.141 0.068 1.00 0.00 N ATOM 1588 CA ILE A 108 0.644 19.989 1.129 1.00 0.00 C ATOM 1589 C ILE A 108 1.906 19.307 0.612 1.00 0.00 C ATOM 1590 O ILE A 108 3.002 19.529 1.131 1.00 0.00 O ATOM 1591 CB ILE A 108 0.082 19.176 2.310 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.937 20.008 3.091 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.209 18.716 3.222 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.279 20.124 2.401 1.00 0.00 C ATOM 0 H ILE A 108 -1.174 19.559 0.178 1.00 0.00 H new ATOM 0 HA ILE A 108 0.891 20.993 1.475 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.422 18.294 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.081 19.561 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.532 21.007 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.795 18.143 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.901 18.090 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.740 19.585 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.951 20.727 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.148 20.598 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.706 19.130 2.265 1.00 0.00 H new ATOM 1606 N LEU A 109 1.747 18.478 -0.414 1.00 0.00 N ATOM 1607 CA LEU A 109 2.874 17.764 -1.003 1.00 0.00 C ATOM 1608 C LEU A 109 3.730 18.702 -1.848 1.00 0.00 C ATOM 1609 O LEU A 109 4.900 18.424 -2.109 1.00 0.00 O ATOM 1610 CB LEU A 109 2.374 16.600 -1.860 1.00 0.00 C ATOM 1611 CG LEU A 109 1.634 15.488 -1.116 1.00 0.00 C ATOM 1612 CD1 LEU A 109 1.345 14.322 -2.049 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.441 15.023 0.087 1.00 0.00 C ATOM 0 H LEU A 109 0.848 18.284 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 109 3.488 17.372 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.712 16.999 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.229 16.160 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 109 0.684 15.886 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.818 13.540 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.726 14.664 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.283 13.925 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.899 14.231 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.406 14.643 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.596 15.861 0.767 1.00 0.00 H new ATOM 1625 N ALA A 110 3.139 19.814 -2.272 1.00 0.00 N ATOM 1626 CA ALA A 110 3.849 20.795 -3.083 1.00 0.00 C ATOM 1627 C ALA A 110 4.928 21.503 -2.271 1.00 0.00 C ATOM 1628 O ALA A 110 6.048 21.694 -2.743 1.00 0.00 O ATOM 1629 CB ALA A 110 2.872 21.808 -3.662 1.00 0.00 C ATOM 0 H ALA A 110 2.170 20.058 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 110 4.336 20.267 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.416 22.535 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.141 21.293 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.358 22.323 -2.850 1.00 0.00 H new ATOM 1635 N GLU A 111 4.582 21.890 -1.047 1.00 0.00 N ATOM 1636 CA GLU A 111 5.522 22.579 -0.170 1.00 0.00 C ATOM 1637 C GLU A 111 6.518 21.596 0.438 1.00 0.00 C ATOM 1638 O GLU A 111 7.608 21.982 0.860 1.00 0.00 O ATOM 1639 CB GLU A 111 4.771 23.314 0.942 1.00 0.00 C ATOM 1640 CG GLU A 111 3.802 22.431 1.710 1.00 0.00 C ATOM 1641 CD GLU A 111 3.653 22.850 3.159 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.120 23.955 3.507 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.071 22.075 3.945 1.00 0.00 O ATOM 0 H GLU A 111 3.659 21.738 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 111 6.073 23.305 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.494 23.737 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.222 24.149 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.826 22.461 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.147 21.398 1.668 1.00 0.00 H new ATOM 1650 N ASP A 112 6.136 20.324 0.479 1.00 0.00 N ATOM 1651 CA ASP A 112 6.995 19.285 1.035 1.00 0.00 C ATOM 1652 C ASP A 112 8.025 18.825 0.008 1.00 0.00 C ATOM 1653 O ASP A 112 9.200 18.651 0.328 1.00 0.00 O ATOM 1654 CB ASP A 112 6.155 18.095 1.502 1.00 0.00 C ATOM 1655 CG ASP A 112 5.436 18.371 2.808 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.858 19.295 3.533 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.452 17.661 3.105 1.00 0.00 O ATOM 0 H ASP A 112 5.237 19.988 0.134 1.00 0.00 H new ATOM 0 HA ASP A 112 7.524 19.704 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.423 17.846 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.799 17.224 1.622 1.00 0.00 H new ATOM 1662 N ALA A 113 7.575 18.629 -1.227 1.00 0.00 N ATOM 1663 CA ALA A 113 8.457 18.190 -2.301 1.00 0.00 C ATOM 1664 C ALA A 113 9.649 19.129 -2.451 1.00 0.00 C ATOM 1665 O ALA A 113 10.779 18.686 -2.658 1.00 0.00 O ATOM 1666 CB ALA A 113 7.689 18.096 -3.610 1.00 0.00 C ATOM 0 H ALA A 113 6.604 18.767 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 113 8.837 17.201 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.361 17.767 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.875 17.379 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.280 19.074 -3.863 1.00 0.00 H new ATOM 1672 N ILE A 114 9.389 20.428 -2.345 1.00 0.00 N ATOM 1673 CA ILE A 114 10.441 21.430 -2.468 1.00 0.00 C ATOM 1674 C ILE A 114 11.380 21.392 -1.267 1.00 0.00 C ATOM 1675 O ILE A 114 12.586 21.598 -1.400 1.00 0.00 O ATOM 1676 CB ILE A 114 9.856 22.847 -2.605 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.990 23.184 -1.389 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.046 22.965 -3.887 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.323 24.539 -1.479 1.00 0.00 C ATOM 0 H ILE A 114 8.459 20.811 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 114 11.002 21.189 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 114 10.679 23.560 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.223 22.418 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.609 23.151 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.639 23.973 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.689 22.762 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.229 22.244 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.726 24.711 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.084 25.315 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.678 24.569 -2.357 1.00 0.00 H new ATOM 1691 N LYS A 115 10.817 21.127 -0.092 1.00 0.00 N ATOM 1692 CA LYS A 115 11.603 21.059 1.134 1.00 0.00 C ATOM 1693 C LYS A 115 12.565 19.877 1.099 1.00 0.00 C ATOM 1694 O LYS A 115 13.726 19.997 1.489 1.00 0.00 O ATOM 1695 CB LYS A 115 10.680 20.944 2.349 1.00 0.00 C ATOM 1696 CG LYS A 115 11.415 20.660 3.647 1.00 0.00 C ATOM 1697 CD LYS A 115 10.450 20.458 4.803 1.00 0.00 C ATOM 1698 CE LYS A 115 9.761 21.759 5.186 1.00 0.00 C ATOM 1699 NZ LYS A 115 8.600 21.526 6.090 1.00 0.00 N ATOM 0 H LYS A 115 9.820 20.956 0.036 1.00 0.00 H new ATOM 0 HA LYS A 115 12.186 21.976 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.117 21.871 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.955 20.150 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.033 19.770 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.087 21.487 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.701 19.715 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.989 20.063 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.477 22.418 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.423 22.270 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.157 22.436 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.905 20.917 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.926 21.061 6.961 1.00 0.00 H new ATOM 1713 N ALA A 116 12.075 18.735 0.628 1.00 0.00 N ATOM 1714 CA ALA A 116 12.894 17.531 0.539 1.00 0.00 C ATOM 1715 C ALA A 116 14.186 17.801 -0.224 1.00 0.00 C ATOM 1716 O ALA A 116 15.201 17.145 0.004 1.00 0.00 O ATOM 1717 CB ALA A 116 12.111 16.409 -0.125 1.00 0.00 C ATOM 0 H ALA A 116 11.116 18.618 0.302 1.00 0.00 H new ATOM 0 HA ALA A 116 13.158 17.225 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.734 15.517 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.219 16.190 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.818 16.715 -1.129 1.00 0.00 H new ATOM 1723 N ALA A 117 14.140 18.771 -1.131 1.00 0.00 N ATOM 1724 CA ALA A 117 15.308 19.129 -1.927 1.00 0.00 C ATOM 1725 C ALA A 117 16.285 19.976 -1.119 1.00 0.00 C ATOM 1726 O ALA A 117 17.500 19.822 -1.238 1.00 0.00 O ATOM 1727 CB ALA A 117 14.882 19.868 -3.187 1.00 0.00 C ATOM 0 H ALA A 117 13.307 19.323 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 117 15.817 18.209 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.764 20.129 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.229 19.228 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.347 20.777 -2.912 1.00 0.00 H new ATOM 1733 N ILE A 118 15.746 20.870 -0.297 1.00 0.00 N ATOM 1734 CA ILE A 118 16.571 21.741 0.531 1.00 0.00 C ATOM 1735 C ILE A 118 17.399 20.933 1.524 1.00 0.00 C ATOM 1736 O ILE A 118 18.537 21.285 1.830 1.00 0.00 O ATOM 1737 CB ILE A 118 15.713 22.760 1.304 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.920 23.635 0.331 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.592 23.620 2.201 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.005 24.625 1.017 1.00 0.00 C ATOM 0 H ILE A 118 14.742 21.010 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 118 17.239 22.278 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 118 15.007 22.216 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.617 24.178 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.326 22.994 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.971 24.335 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.117 22.984 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.318 24.157 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.475 25.211 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.284 24.088 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.596 25.291 1.646 1.00 0.00 H new ATOM 1752 N ALA A 119 16.819 19.845 2.022 1.00 0.00 N ATOM 1753 CA ALA A 119 17.505 18.984 2.977 1.00 0.00 C ATOM 1754 C ALA A 119 18.515 18.082 2.276 1.00 0.00 C ATOM 1755 O ALA A 119 19.444 17.570 2.902 1.00 0.00 O ATOM 1756 CB ALA A 119 16.497 18.148 3.752 1.00 0.00 C ATOM 0 H ALA A 119 15.876 19.540 1.780 1.00 0.00 H new ATOM 0 HA ALA A 119 18.049 19.619 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.023 17.509 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.816 18.807 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.929 17.528 3.059 1.00 0.00 H new ATOM 1762 N ASP A 120 18.328 17.891 0.975 1.00 0.00 N ATOM 1763 CA ASP A 120 19.224 17.050 0.189 1.00 0.00 C ATOM 1764 C ASP A 120 20.530 17.779 -0.109 1.00 0.00 C ATOM 1765 O ASP A 120 21.599 17.169 -0.143 1.00 0.00 O ATOM 1766 CB ASP A 120 18.549 16.631 -1.118 1.00 0.00 C ATOM 1767 CG ASP A 120 18.346 15.131 -1.210 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.486 14.603 -0.475 1.00 0.00 O ATOM 1769 OD2 ASP A 120 19.048 14.486 -2.017 1.00 0.00 O ATOM 0 H ASP A 120 17.564 18.307 0.442 1.00 0.00 H new ATOM 0 HA ASP A 120 19.452 16.158 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.584 17.131 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.155 16.965 -1.960 1.00 0.00 H new ATOM 1774 N TYR A 121 20.436 19.086 -0.327 1.00 0.00 N ATOM 1775 CA TYR A 121 21.610 19.897 -0.626 1.00 0.00 C ATOM 1776 C TYR A 121 22.547 19.964 0.575 1.00 0.00 C ATOM 1777 O TYR A 121 23.754 19.755 0.449 1.00 0.00 O ATOM 1778 CB TYR A 121 21.188 21.309 -1.037 1.00 0.00 C ATOM 1779 CG TYR A 121 22.344 22.278 -1.149 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.333 22.102 -2.109 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.448 23.368 -0.294 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.391 22.984 -2.214 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.501 24.256 -0.393 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.471 24.059 -1.355 1.00 0.00 C ATOM 1785 OH TYR A 121 25.523 24.940 -1.456 1.00 0.00 O ATOM 0 H TYR A 121 19.559 19.606 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 121 22.143 19.428 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.672 21.260 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.473 21.692 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.274 21.261 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.692 23.524 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.152 22.832 -2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.565 25.100 0.278 1.00 0.00 H new ATOM 0 HH TYR A 121 25.193 25.810 -1.765 1.00 0.00 H new ATOM 1795 N LYS A 122 21.983 20.256 1.742 1.00 0.00 N ATOM 1796 CA LYS A 122 22.765 20.348 2.969 1.00 0.00 C ATOM 1797 C LYS A 122 23.518 19.049 3.234 1.00 0.00 C ATOM 1798 O LYS A 122 24.546 19.042 3.911 1.00 0.00 O ATOM 1799 CB LYS A 122 21.855 20.674 4.156 1.00 0.00 C ATOM 1800 CG LYS A 122 20.904 21.829 3.894 1.00 0.00 C ATOM 1801 CD LYS A 122 20.864 22.794 5.067 1.00 0.00 C ATOM 1802 CE LYS A 122 19.435 23.086 5.500 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.387 23.831 6.788 1.00 0.00 N ATOM 0 H LYS A 122 20.986 20.433 1.864 1.00 0.00 H new ATOM 0 HA LYS A 122 23.493 21.150 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.275 19.788 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.473 20.912 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.215 22.361 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.903 21.442 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.420 22.373 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.359 23.725 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.932 23.666 4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.888 22.149 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.396 24.011 7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 19.844 23.267 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 19.887 24.737 6.684 1.00 0.00 H new ATOM 1817 N SER A 123 23.000 17.950 2.694 1.00 0.00 N ATOM 1818 CA SER A 123 23.623 16.643 2.875 1.00 0.00 C ATOM 1819 C SER A 123 24.780 16.453 1.898 1.00 0.00 C ATOM 1820 O SER A 123 25.661 15.622 2.115 1.00 0.00 O ATOM 1821 CB SER A 123 22.590 15.532 2.682 1.00 0.00 C ATOM 1822 OG SER A 123 21.955 15.207 3.906 1.00 0.00 O ATOM 0 H SER A 123 22.151 17.938 2.128 1.00 0.00 H new ATOM 0 HA SER A 123 24.016 16.592 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.843 15.848 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 123 23.077 14.646 2.275 1.00 0.00 H new ATOM 0 HG SER A 123 21.298 14.496 3.755 1.00 0.00 H new ATOM 1828 N LYS A 124 24.769 17.230 0.820 1.00 0.00 N ATOM 1829 CA LYS A 124 25.816 17.151 -0.191 1.00 0.00 C ATOM 1830 C LYS A 124 27.115 17.766 0.321 1.00 0.00 C ATOM 1831 O LYS A 124 28.201 17.431 -0.153 1.00 0.00 O ATOM 1832 CB LYS A 124 25.373 17.862 -1.472 1.00 0.00 C ATOM 1833 CG LYS A 124 24.219 17.174 -2.181 1.00 0.00 C ATOM 1834 CD LYS A 124 24.678 15.917 -2.902 1.00 0.00 C ATOM 1835 CE LYS A 124 23.608 15.396 -3.849 1.00 0.00 C ATOM 1836 NZ LYS A 124 24.167 14.442 -4.847 1.00 0.00 N ATOM 0 H LYS A 124 24.046 17.922 0.624 1.00 0.00 H new ATOM 0 HA LYS A 124 25.995 16.098 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 124 25.082 18.884 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.221 17.926 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 124 23.446 16.917 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 124 23.769 17.862 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 124 25.589 16.129 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 124 24.925 15.147 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 124 22.824 14.903 -3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.143 16.234 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 23.406 14.110 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.898 14.920 -5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.588 13.629 -4.353 1.00 0.00 H new ATOM 1850 N ARG A 125 26.996 18.666 1.291 1.00 0.00 N ATOM 1851 CA ARG A 125 28.160 19.327 1.867 1.00 0.00 C ATOM 1852 C ARG A 125 28.430 18.819 3.281 1.00 0.00 C ATOM 1853 O ARG A 125 29.435 19.175 3.896 1.00 0.00 O ATOM 1854 CB ARG A 125 27.954 20.843 1.890 1.00 0.00 C ATOM 1855 CG ARG A 125 26.619 21.267 2.479 1.00 0.00 C ATOM 1856 CD ARG A 125 26.792 22.362 3.520 1.00 0.00 C ATOM 1857 NE ARG A 125 26.833 23.691 2.915 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.914 24.816 3.617 1.00 0.00 C ATOM 1859 NH1 ARG A 125 26.963 24.773 4.941 1.00 0.00 N ATOM 1860 NH2 ARG A 125 26.947 25.987 2.994 1.00 0.00 N ATOM 0 H ARG A 125 26.105 18.954 1.695 1.00 0.00 H new ATOM 0 HA ARG A 125 29.023 19.094 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.758 21.302 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 125 28.031 21.227 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.965 21.621 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.130 20.405 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 125 25.971 22.315 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.712 22.189 4.078 1.00 0.00 H new ATOM 0 HE ARG A 125 26.797 23.759 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 125 26.939 23.875 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 125 27.025 25.638 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 125 26.910 26.024 1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 125 27.009 26.850 3.534 1.00 0.00 H new