USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 60 THR OG1 : rot -116:sc= 0.0872 USER MOD Set 1.2: A 70 SER OG : rot -113:sc= -0.231 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 138:sc= -0.404 (180deg=-2.95!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -162:sc= -1.45 (180deg=-1.61) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.0384 (180deg=-0.459) USER MOD Single : A 50 ASN : amide:sc= -0.0487 K(o=-0.049,f=-0.56) USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -0.206 (180deg=-1.56!) USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= -0.154 (180deg=-0.808) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 117:sc= -0.566! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.102 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -79:sc= -2.33 USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= -3.2! (180deg=-4.45!) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc=-0.00768 (180deg=-0.35) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.14) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-4.6!) USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0386 USER MOD Single : A 107 SER OG : rot 130:sc= 0.0247 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.808 -8.530 -17.151 1.00 0.00 N ATOM 375 CA ASP A 24 9.186 -9.763 -16.588 1.00 0.00 C ATOM 376 C ASP A 24 7.961 -10.140 -17.424 1.00 0.00 C ATOM 377 O ASP A 24 7.367 -9.309 -18.081 1.00 0.00 O ATOM 378 CB ASP A 24 8.757 -9.506 -15.142 1.00 0.00 C ATOM 379 CG ASP A 24 9.820 -10.054 -14.188 1.00 0.00 C ATOM 380 OD1 ASP A 24 9.757 -11.231 -13.877 1.00 0.00 O ATOM 381 OD2 ASP A 24 10.678 -9.287 -13.785 1.00 0.00 O ATOM 0 HA ASP A 24 9.909 -10.578 -16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.621 -8.437 -14.977 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.797 -9.983 -14.946 1.00 0.00 H new ATOM 386 N SER A 25 7.579 -11.388 -17.407 1.00 0.00 N ATOM 387 CA SER A 25 6.393 -11.814 -18.203 1.00 0.00 C ATOM 388 C SER A 25 5.119 -11.583 -17.389 1.00 0.00 C ATOM 389 O SER A 25 4.021 -11.785 -17.867 1.00 0.00 O ATOM 390 CB SER A 25 6.515 -13.299 -18.547 1.00 0.00 C ATOM 391 OG SER A 25 7.654 -13.498 -19.374 1.00 0.00 O ATOM 0 H SER A 25 8.036 -12.130 -16.877 1.00 0.00 H new ATOM 0 HA SER A 25 6.347 -11.230 -19.122 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.606 -13.889 -17.635 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.615 -13.640 -19.059 1.00 0.00 H new ATOM 0 HG SER A 25 7.736 -14.449 -19.595 1.00 0.00 H new ATOM 397 N ASN A 26 5.256 -11.160 -16.163 1.00 0.00 N ATOM 398 CA ASN A 26 4.051 -10.917 -15.321 1.00 0.00 C ATOM 399 C ASN A 26 3.953 -9.428 -14.984 1.00 0.00 C ATOM 400 O ASN A 26 3.035 -8.991 -14.319 1.00 0.00 O ATOM 401 CB ASN A 26 4.159 -11.728 -14.027 1.00 0.00 C ATOM 402 CG ASN A 26 5.129 -12.893 -14.234 1.00 0.00 C ATOM 403 OD1 ASN A 26 6.310 -12.770 -13.974 1.00 0.00 O ATOM 404 ND2 ASN A 26 4.677 -14.029 -14.694 1.00 0.00 N ATOM 0 H ASN A 26 6.149 -10.972 -15.708 1.00 0.00 H new ATOM 0 HA ASN A 26 3.160 -11.224 -15.868 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.507 -11.091 -13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.178 -12.105 -13.739 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.315 -14.812 -14.835 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.686 -14.133 -14.912 1.00 0.00 H new ATOM 411 N VAL A 27 4.891 -8.643 -15.440 1.00 0.00 N ATOM 412 CA VAL A 27 4.850 -7.182 -15.147 1.00 0.00 C ATOM 413 C VAL A 27 4.384 -6.425 -16.391 1.00 0.00 C ATOM 414 O VAL A 27 4.896 -6.619 -17.476 1.00 0.00 O ATOM 415 CB VAL A 27 6.245 -6.700 -14.746 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.257 -5.172 -14.674 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.609 -7.276 -13.377 1.00 0.00 C ATOM 0 H VAL A 27 5.684 -8.950 -16.003 1.00 0.00 H new ATOM 0 HA VAL A 27 4.155 -6.996 -14.328 1.00 0.00 H new ATOM 0 HB VAL A 27 6.971 -7.035 -15.487 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.251 -4.829 -14.388 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.997 -4.760 -15.649 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.531 -4.837 -13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.603 -6.933 -13.091 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.882 -6.941 -12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.601 -8.365 -13.427 1.00 0.00 H new ATOM 427 N GLY A 28 3.412 -5.564 -16.246 1.00 0.00 N ATOM 428 CA GLY A 28 2.912 -4.801 -17.424 1.00 0.00 C ATOM 429 C GLY A 28 3.253 -3.317 -17.262 1.00 0.00 C ATOM 430 O GLY A 28 3.284 -2.791 -16.167 1.00 0.00 O ATOM 0 H GLY A 28 2.944 -5.357 -15.364 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.361 -5.189 -18.338 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.834 -4.928 -17.520 1.00 0.00 H new ATOM 434 N THR A 29 3.503 -2.638 -18.349 1.00 0.00 N ATOM 435 CA THR A 29 3.838 -1.188 -18.267 1.00 0.00 C ATOM 436 C THR A 29 2.966 -0.413 -19.258 1.00 0.00 C ATOM 437 O THR A 29 2.863 -0.767 -20.417 1.00 0.00 O ATOM 438 CB THR A 29 5.313 -0.983 -18.618 1.00 0.00 C ATOM 439 OG1 THR A 29 6.119 -1.753 -17.736 1.00 0.00 O ATOM 440 CG2 THR A 29 5.672 0.497 -18.478 1.00 0.00 C ATOM 0 H THR A 29 3.490 -3.026 -19.292 1.00 0.00 H new ATOM 0 HA THR A 29 3.654 -0.827 -17.255 1.00 0.00 H new ATOM 0 HB THR A 29 5.490 -1.302 -19.645 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.064 -1.624 -17.960 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.723 0.642 -18.728 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.053 1.087 -19.154 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.496 0.819 -17.452 1.00 0.00 H new ATOM 448 N GLY A 30 2.334 0.638 -18.815 1.00 0.00 N ATOM 449 CA GLY A 30 1.467 1.428 -19.736 1.00 0.00 C ATOM 450 C GLY A 30 1.882 2.899 -19.697 1.00 0.00 C ATOM 451 O GLY A 30 2.151 3.452 -18.649 1.00 0.00 O ATOM 0 H GLY A 30 2.380 0.984 -17.857 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.553 1.043 -20.752 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.422 1.327 -19.444 1.00 0.00 H new ATOM 455 N MET A 31 1.934 3.538 -20.834 1.00 0.00 N ATOM 456 CA MET A 31 2.329 4.974 -20.866 1.00 0.00 C ATOM 457 C MET A 31 1.406 5.733 -21.824 1.00 0.00 C ATOM 458 O MET A 31 1.329 5.427 -22.997 1.00 0.00 O ATOM 459 CB MET A 31 3.778 5.092 -21.351 1.00 0.00 C ATOM 460 CG MET A 31 4.620 5.797 -20.286 1.00 0.00 C ATOM 461 SD MET A 31 3.922 7.434 -19.953 1.00 0.00 S ATOM 462 CE MET A 31 4.864 8.338 -21.206 1.00 0.00 C ATOM 0 H MET A 31 1.720 3.127 -21.743 1.00 0.00 H new ATOM 0 HA MET A 31 2.245 5.399 -19.866 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.186 4.102 -21.555 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.815 5.650 -22.286 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.639 5.205 -19.371 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.651 5.892 -20.626 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.210 9.049 -21.710 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.684 8.874 -20.728 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.267 7.635 -21.936 1.00 0.00 H new ATOM 472 N VAL A 32 0.705 6.718 -21.334 1.00 0.00 N ATOM 473 CA VAL A 32 -0.211 7.490 -22.220 1.00 0.00 C ATOM 474 C VAL A 32 -0.281 8.943 -21.746 1.00 0.00 C ATOM 475 O VAL A 32 -0.196 9.228 -20.568 1.00 0.00 O ATOM 476 CB VAL A 32 -1.609 6.871 -22.170 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.570 5.470 -22.784 1.00 0.00 C ATOM 478 CG2 VAL A 32 -2.071 6.775 -20.713 1.00 0.00 C ATOM 0 H VAL A 32 0.727 7.021 -20.360 1.00 0.00 H new ATOM 0 HA VAL A 32 0.165 7.461 -23.243 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.303 7.495 -22.733 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.566 5.029 -22.748 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.239 5.536 -23.821 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.876 4.845 -22.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.067 6.334 -20.675 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.376 6.150 -20.151 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.099 7.772 -20.274 1.00 0.00 H new ATOM 488 N GLY A 33 -0.433 9.865 -22.657 1.00 0.00 N ATOM 489 CA GLY A 33 -0.510 11.301 -22.261 1.00 0.00 C ATOM 490 C GLY A 33 -1.557 12.010 -23.121 1.00 0.00 C ATOM 491 O GLY A 33 -2.350 11.381 -23.793 1.00 0.00 O ATOM 0 H GLY A 33 -0.507 9.687 -23.659 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.772 11.385 -21.206 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.463 11.777 -22.387 1.00 0.00 H new ATOM 495 N ALA A 34 -1.568 13.314 -23.105 1.00 0.00 N ATOM 496 CA ALA A 34 -2.565 14.060 -23.922 1.00 0.00 C ATOM 497 C ALA A 34 -1.836 14.998 -24.887 1.00 0.00 C ATOM 498 O ALA A 34 -1.700 16.179 -24.635 1.00 0.00 O ATOM 499 CB ALA A 34 -3.475 14.876 -23.001 1.00 0.00 C ATOM 0 H ALA A 34 -0.930 13.895 -22.562 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.169 13.353 -24.491 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.204 15.421 -23.600 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.996 14.206 -22.317 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.874 15.583 -22.429 1.00 0.00 H new ATOM 505 N PRO A 35 -1.369 14.468 -25.984 1.00 0.00 N ATOM 506 CA PRO A 35 -0.637 15.260 -27.013 1.00 0.00 C ATOM 507 C PRO A 35 -1.390 16.534 -27.407 1.00 0.00 C ATOM 508 O PRO A 35 -0.964 17.276 -28.269 1.00 0.00 O ATOM 509 CB PRO A 35 -0.536 14.307 -28.207 1.00 0.00 C ATOM 510 CG PRO A 35 -0.652 12.933 -27.635 1.00 0.00 C ATOM 511 CD PRO A 35 -1.491 13.052 -26.362 1.00 0.00 C ATOM 0 HA PRO A 35 0.332 15.600 -26.647 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.329 14.499 -28.930 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.411 14.435 -28.731 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.125 12.257 -28.347 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.333 12.523 -27.412 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.530 12.775 -26.542 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.118 12.396 -25.576 1.00 0.00 H new ATOM 519 N ALA A 36 -2.506 16.793 -26.781 1.00 0.00 N ATOM 520 CA ALA A 36 -3.283 18.018 -27.121 1.00 0.00 C ATOM 521 C ALA A 36 -2.841 19.167 -26.211 1.00 0.00 C ATOM 522 O ALA A 36 -3.289 20.289 -26.349 1.00 0.00 O ATOM 523 CB ALA A 36 -4.776 17.751 -26.917 1.00 0.00 C ATOM 0 H ALA A 36 -2.912 16.210 -26.050 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.103 18.286 -28.162 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.343 18.648 -27.166 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.091 16.931 -27.563 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.959 17.483 -25.876 1.00 0.00 H new ATOM 529 N CYS A 37 -1.965 18.898 -25.283 1.00 0.00 N ATOM 530 CA CYS A 37 -1.493 19.973 -24.367 1.00 0.00 C ATOM 531 C CYS A 37 -0.043 19.695 -23.963 1.00 0.00 C ATOM 532 O CYS A 37 0.839 20.498 -24.190 1.00 0.00 O ATOM 533 CB CYS A 37 -2.377 20.002 -23.116 1.00 0.00 C ATOM 534 SG CYS A 37 -3.244 21.587 -23.027 1.00 0.00 S ATOM 0 H CYS A 37 -1.555 17.978 -25.119 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.551 20.936 -24.874 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.096 19.183 -23.147 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.768 19.858 -22.224 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.996 21.611 -21.967 1.00 0.00 H new ATOM 540 N GLY A 38 0.207 18.561 -23.367 1.00 0.00 N ATOM 541 CA GLY A 38 1.599 18.230 -22.948 1.00 0.00 C ATOM 542 C GLY A 38 1.570 17.563 -21.572 1.00 0.00 C ATOM 543 O GLY A 38 2.331 17.906 -20.690 1.00 0.00 O ATOM 0 H GLY A 38 -0.492 17.850 -23.152 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.062 17.565 -23.677 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.205 19.135 -22.913 1.00 0.00 H new ATOM 547 N ASP A 39 0.696 16.613 -21.381 1.00 0.00 N ATOM 548 CA ASP A 39 0.618 15.928 -20.060 1.00 0.00 C ATOM 549 C ASP A 39 1.129 14.492 -20.198 1.00 0.00 C ATOM 550 O ASP A 39 0.678 13.740 -21.039 1.00 0.00 O ATOM 551 CB ASP A 39 -0.835 15.908 -19.580 1.00 0.00 C ATOM 552 CG ASP A 39 -1.095 17.127 -18.694 1.00 0.00 C ATOM 553 OD1 ASP A 39 -1.051 18.231 -19.211 1.00 0.00 O ATOM 554 OD2 ASP A 39 -1.333 16.936 -17.512 1.00 0.00 O ATOM 0 H ASP A 39 0.033 16.282 -22.082 1.00 0.00 H new ATOM 0 HA ASP A 39 1.232 16.464 -19.337 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.512 15.915 -20.434 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.033 14.992 -19.024 1.00 0.00 H new ATOM 559 N VAL A 40 2.068 14.108 -19.379 1.00 0.00 N ATOM 560 CA VAL A 40 2.608 12.722 -19.462 1.00 0.00 C ATOM 561 C VAL A 40 2.117 11.908 -18.263 1.00 0.00 C ATOM 562 O VAL A 40 2.477 12.173 -17.133 1.00 0.00 O ATOM 563 CB VAL A 40 4.136 12.771 -19.451 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.613 13.617 -18.269 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.689 11.349 -19.315 1.00 0.00 C ATOM 0 H VAL A 40 2.485 14.694 -18.656 1.00 0.00 H new ATOM 0 HA VAL A 40 2.264 12.253 -20.384 1.00 0.00 H new ATOM 0 HB VAL A 40 4.492 13.215 -20.381 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.702 13.651 -18.262 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.219 14.629 -18.363 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.258 13.175 -17.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.778 11.382 -19.307 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.332 10.907 -18.385 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.350 10.745 -20.157 1.00 0.00 H new ATOM 575 N MET A 41 1.298 10.919 -18.499 1.00 0.00 N ATOM 576 CA MET A 41 0.788 10.091 -17.369 1.00 0.00 C ATOM 577 C MET A 41 1.216 8.637 -17.568 1.00 0.00 C ATOM 578 O MET A 41 0.858 8.002 -18.540 1.00 0.00 O ATOM 579 CB MET A 41 -0.740 10.169 -17.323 1.00 0.00 C ATOM 580 CG MET A 41 -1.274 9.122 -16.342 1.00 0.00 C ATOM 581 SD MET A 41 -2.050 7.772 -17.264 1.00 0.00 S ATOM 582 CE MET A 41 -2.779 6.917 -15.846 1.00 0.00 C ATOM 0 H MET A 41 0.961 10.649 -19.423 1.00 0.00 H new ATOM 0 HA MET A 41 1.199 10.467 -16.432 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.055 11.166 -17.015 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.154 9.997 -18.317 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.461 8.736 -15.727 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.997 9.577 -15.665 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.034 5.896 -16.129 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.063 6.898 -15.025 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.681 7.441 -15.529 1.00 0.00 H new ATOM 592 N GLN A 42 1.976 8.102 -16.652 1.00 0.00 N ATOM 593 CA GLN A 42 2.423 6.688 -16.789 1.00 0.00 C ATOM 594 C GLN A 42 1.595 5.805 -15.851 1.00 0.00 C ATOM 595 O GLN A 42 1.075 6.260 -14.853 1.00 0.00 O ATOM 596 CB GLN A 42 3.904 6.578 -16.419 1.00 0.00 C ATOM 597 CG GLN A 42 4.232 5.131 -16.053 1.00 0.00 C ATOM 598 CD GLN A 42 5.732 4.884 -16.232 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.165 4.358 -17.345 1.00 0.00 O flip ATOM 600 NE2 GLN A 42 6.515 5.173 -15.350 1.00 0.00 N flip ATOM 0 H GLN A 42 2.306 8.583 -15.815 1.00 0.00 H new ATOM 0 HA GLN A 42 2.285 6.360 -17.819 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.524 6.902 -17.255 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.130 7.237 -15.580 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.941 4.931 -15.022 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.663 4.448 -16.683 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.175 5.584 -14.481 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.513 5.005 -15.479 1.00 0.00 H new ATOM 609 N LEU A 43 1.470 4.544 -16.164 1.00 0.00 N ATOM 610 CA LEU A 43 0.676 3.637 -15.288 1.00 0.00 C ATOM 611 C LEU A 43 1.147 2.195 -15.486 1.00 0.00 C ATOM 612 O LEU A 43 1.077 1.652 -16.570 1.00 0.00 O ATOM 613 CB LEU A 43 -0.807 3.744 -15.653 1.00 0.00 C ATOM 614 CG LEU A 43 -1.647 3.017 -14.598 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.574 4.016 -13.902 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.489 1.930 -15.273 1.00 0.00 C ATOM 0 H LEU A 43 1.882 4.104 -16.986 1.00 0.00 H new ATOM 0 HA LEU A 43 0.815 3.925 -14.246 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.104 4.791 -15.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.983 3.308 -16.637 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.985 2.561 -13.862 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.171 3.497 -13.152 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.978 4.790 -13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.235 4.473 -14.638 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.086 1.413 -14.522 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.149 2.387 -16.010 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.831 1.215 -15.768 1.00 0.00 H new ATOM 628 N GLN A 44 1.625 1.570 -14.445 1.00 0.00 N ATOM 629 CA GLN A 44 2.098 0.163 -14.571 1.00 0.00 C ATOM 630 C GLN A 44 1.322 -0.721 -13.592 1.00 0.00 C ATOM 631 O GLN A 44 0.882 -0.273 -12.553 1.00 0.00 O ATOM 632 CB GLN A 44 3.592 0.093 -14.246 1.00 0.00 C ATOM 633 CG GLN A 44 4.249 1.437 -14.566 1.00 0.00 C ATOM 634 CD GLN A 44 5.768 1.307 -14.443 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.494 1.644 -15.358 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.284 0.829 -13.344 1.00 0.00 N ATOM 0 H GLN A 44 1.708 1.974 -13.512 1.00 0.00 H new ATOM 0 HA GLN A 44 1.933 -0.186 -15.590 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.735 -0.152 -13.193 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.064 -0.701 -14.825 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.981 1.753 -15.574 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.883 2.204 -13.883 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.675 0.546 -12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.296 0.738 -13.253 1.00 0.00 H new ATOM 645 N ILE A 45 1.151 -1.975 -13.913 1.00 0.00 N ATOM 646 CA ILE A 45 0.403 -2.880 -12.996 1.00 0.00 C ATOM 647 C ILE A 45 1.146 -4.212 -12.872 1.00 0.00 C ATOM 648 O ILE A 45 1.636 -4.753 -13.845 1.00 0.00 O ATOM 649 CB ILE A 45 -0.999 -3.130 -13.552 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.951 -3.109 -15.083 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.949 -2.038 -13.057 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.988 -4.086 -15.638 1.00 0.00 C ATOM 0 H ILE A 45 1.496 -2.410 -14.768 1.00 0.00 H new ATOM 0 HA ILE A 45 0.326 -2.414 -12.014 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.356 -4.102 -13.212 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.151 -2.102 -15.450 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.045 -3.383 -15.430 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.948 -2.217 -13.454 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.984 -2.052 -11.968 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.593 -1.065 -13.396 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.955 -4.072 -16.727 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.768 -5.092 -15.281 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.982 -3.791 -15.302 1.00 0.00 H new ATOM 664 N LYS A 46 1.231 -4.745 -11.684 1.00 0.00 N ATOM 665 CA LYS A 46 1.940 -6.043 -11.499 1.00 0.00 C ATOM 666 C LYS A 46 0.915 -7.145 -11.228 1.00 0.00 C ATOM 667 O LYS A 46 0.076 -7.026 -10.358 1.00 0.00 O ATOM 668 CB LYS A 46 2.899 -5.935 -10.312 1.00 0.00 C ATOM 669 CG LYS A 46 3.821 -7.158 -10.286 1.00 0.00 C ATOM 670 CD LYS A 46 3.630 -7.917 -8.972 1.00 0.00 C ATOM 671 CE LYS A 46 4.573 -9.120 -8.935 1.00 0.00 C ATOM 672 NZ LYS A 46 5.985 -8.642 -8.888 1.00 0.00 N ATOM 0 H LYS A 46 0.841 -4.338 -10.834 1.00 0.00 H new ATOM 0 HA LYS A 46 2.504 -6.283 -12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.490 -5.023 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.336 -5.871 -9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.600 -7.811 -11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.860 -6.845 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.831 -7.258 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.596 -8.249 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.358 -9.738 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.418 -9.745 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.595 -9.396 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.298 -8.389 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.048 -7.807 -8.272 1.00 0.00 H new ATOM 686 N VAL A 47 0.974 -8.219 -11.968 1.00 0.00 N ATOM 687 CA VAL A 47 0.001 -9.327 -11.753 1.00 0.00 C ATOM 688 C VAL A 47 0.675 -10.456 -10.972 1.00 0.00 C ATOM 689 O VAL A 47 1.869 -10.661 -11.064 1.00 0.00 O ATOM 690 CB VAL A 47 -0.473 -9.859 -13.106 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.539 -10.934 -12.888 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.069 -8.710 -13.923 1.00 0.00 C ATOM 0 H VAL A 47 1.654 -8.377 -12.712 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.853 -8.954 -11.188 1.00 0.00 H new ATOM 0 HB VAL A 47 0.372 -10.290 -13.643 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.876 -11.313 -13.853 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.117 -11.752 -12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.385 -10.504 -12.351 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.408 -9.087 -14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.914 -8.281 -13.385 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.311 -7.943 -14.079 1.00 0.00 H new ATOM 702 N ASP A 48 -0.080 -11.193 -10.206 1.00 0.00 N ATOM 703 CA ASP A 48 0.519 -12.310 -9.422 1.00 0.00 C ATOM 704 C ASP A 48 0.390 -13.612 -10.214 1.00 0.00 C ATOM 705 O ASP A 48 1.123 -13.855 -11.151 1.00 0.00 O ATOM 706 CB ASP A 48 -0.216 -12.448 -8.087 1.00 0.00 C ATOM 707 CG ASP A 48 0.294 -13.688 -7.349 1.00 0.00 C ATOM 708 OD1 ASP A 48 1.487 -13.938 -7.406 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.517 -14.365 -6.740 1.00 0.00 O ATOM 0 H ASP A 48 -1.086 -11.071 -10.089 1.00 0.00 H new ATOM 0 HA ASP A 48 1.572 -12.101 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.056 -11.558 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.290 -12.529 -8.257 1.00 0.00 H new ATOM 714 N ASP A 49 -0.539 -14.453 -9.847 1.00 0.00 N ATOM 715 CA ASP A 49 -0.712 -15.737 -10.582 1.00 0.00 C ATOM 716 C ASP A 49 -2.205 -16.031 -10.749 1.00 0.00 C ATOM 717 O ASP A 49 -2.591 -17.066 -11.255 1.00 0.00 O ATOM 718 CB ASP A 49 -0.054 -16.871 -9.791 1.00 0.00 C ATOM 719 CG ASP A 49 -0.350 -16.693 -8.300 1.00 0.00 C ATOM 720 OD1 ASP A 49 -1.418 -17.103 -7.876 1.00 0.00 O ATOM 721 OD2 ASP A 49 0.495 -16.149 -7.610 1.00 0.00 O ATOM 0 H ASP A 49 -1.184 -14.306 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.244 -15.660 -11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.431 -17.834 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.023 -16.870 -9.961 1.00 0.00 H new ATOM 726 N ASN A 50 -3.047 -15.126 -10.329 1.00 0.00 N ATOM 727 CA ASN A 50 -4.515 -15.353 -10.465 1.00 0.00 C ATOM 728 C ASN A 50 -5.158 -14.139 -11.137 1.00 0.00 C ATOM 729 O ASN A 50 -6.356 -13.947 -11.077 1.00 0.00 O ATOM 730 CB ASN A 50 -5.132 -15.554 -9.079 1.00 0.00 C ATOM 731 CG ASN A 50 -4.852 -16.978 -8.596 1.00 0.00 C ATOM 732 OD1 ASN A 50 -5.032 -17.928 -9.331 1.00 0.00 O ATOM 733 ND2 ASN A 50 -4.418 -17.167 -7.379 1.00 0.00 N ATOM 0 H ASN A 50 -2.783 -14.240 -9.898 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.690 -16.241 -11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.716 -14.832 -8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.207 -15.377 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.230 -18.112 -7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.267 -16.369 -6.762 1.00 0.00 H new ATOM 740 N GLY A 51 -4.371 -13.317 -11.774 1.00 0.00 N ATOM 741 CA GLY A 51 -4.939 -12.114 -12.447 1.00 0.00 C ATOM 742 C GLY A 51 -5.178 -11.015 -11.410 1.00 0.00 C ATOM 743 O GLY A 51 -5.802 -10.011 -11.688 1.00 0.00 O ATOM 0 H GLY A 51 -3.360 -13.425 -11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.255 -11.759 -13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.875 -12.370 -12.944 1.00 0.00 H new ATOM 747 N ILE A 52 -4.685 -11.198 -10.217 1.00 0.00 N ATOM 748 CA ILE A 52 -4.883 -10.164 -9.162 1.00 0.00 C ATOM 749 C ILE A 52 -3.691 -9.206 -9.155 1.00 0.00 C ATOM 750 O ILE A 52 -2.549 -9.622 -9.171 1.00 0.00 O ATOM 751 CB ILE A 52 -4.996 -10.843 -7.797 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.925 -12.055 -7.904 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.564 -9.854 -6.778 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.283 -11.611 -8.451 1.00 0.00 C ATOM 0 H ILE A 52 -4.153 -12.019 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.797 -9.607 -9.369 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.008 -11.170 -7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.485 -12.807 -8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.049 -12.519 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.644 -10.339 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.902 -8.992 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.551 -9.525 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.944 -12.474 -8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.723 -10.875 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.150 -11.167 -9.438 1.00 0.00 H new ATOM 766 N ILE A 53 -3.944 -7.926 -9.127 1.00 0.00 N ATOM 767 CA ILE A 53 -2.822 -6.946 -9.117 1.00 0.00 C ATOM 768 C ILE A 53 -2.287 -6.800 -7.691 1.00 0.00 C ATOM 769 O ILE A 53 -2.782 -6.012 -6.909 1.00 0.00 O ATOM 770 CB ILE A 53 -3.322 -5.588 -9.614 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.370 -5.594 -11.144 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.369 -4.489 -9.142 1.00 0.00 C ATOM 773 CD1 ILE A 53 -3.972 -4.277 -11.642 1.00 0.00 C ATOM 0 H ILE A 53 -4.878 -7.517 -9.111 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.026 -7.300 -9.772 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.319 -5.400 -9.217 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.366 -5.724 -11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.967 -6.435 -11.496 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.725 -3.522 -9.496 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.330 -4.485 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.372 -4.676 -9.540 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.006 -4.281 -12.731 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.982 -4.167 -11.248 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.357 -3.444 -11.302 1.00 0.00 H new ATOM 785 N GLU A 54 -1.279 -7.555 -7.345 1.00 0.00 N ATOM 786 CA GLU A 54 -0.713 -7.461 -5.969 1.00 0.00 C ATOM 787 C GLU A 54 -0.268 -6.022 -5.698 1.00 0.00 C ATOM 788 O GLU A 54 -0.659 -5.415 -4.720 1.00 0.00 O ATOM 789 CB GLU A 54 0.491 -8.401 -5.847 1.00 0.00 C ATOM 790 CG GLU A 54 0.238 -9.422 -4.735 1.00 0.00 C ATOM 791 CD GLU A 54 1.569 -10.037 -4.295 1.00 0.00 C ATOM 792 OE1 GLU A 54 2.423 -10.223 -5.145 1.00 0.00 O ATOM 793 OE2 GLU A 54 1.710 -10.311 -3.114 1.00 0.00 O ATOM 0 H GLU A 54 -0.823 -8.233 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.473 -7.749 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.661 -8.914 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.392 -7.827 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.250 -8.940 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.436 -10.202 -5.089 1.00 0.00 H new ATOM 800 N ASP A 55 0.547 -5.471 -6.556 1.00 0.00 N ATOM 801 CA ASP A 55 1.018 -4.072 -6.347 1.00 0.00 C ATOM 802 C ASP A 55 0.861 -3.285 -7.650 1.00 0.00 C ATOM 803 O ASP A 55 1.126 -3.788 -8.724 1.00 0.00 O ATOM 804 CB ASP A 55 2.491 -4.085 -5.933 1.00 0.00 C ATOM 805 CG ASP A 55 2.858 -5.472 -5.401 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.523 -5.756 -4.263 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.467 -6.226 -6.141 1.00 0.00 O ATOM 0 H ASP A 55 0.907 -5.929 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 55 0.426 -3.601 -5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.122 -3.832 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.672 -3.330 -5.167 1.00 0.00 H new ATOM 812 N ALA A 56 0.429 -2.057 -7.566 1.00 0.00 N ATOM 813 CA ALA A 56 0.253 -1.245 -8.803 1.00 0.00 C ATOM 814 C ALA A 56 1.128 0.009 -8.726 1.00 0.00 C ATOM 815 O ALA A 56 1.154 0.702 -7.728 1.00 0.00 O ATOM 816 CB ALA A 56 -1.214 -0.832 -8.936 1.00 0.00 C ATOM 0 H ALA A 56 0.191 -1.581 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 56 0.547 -1.839 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.344 -0.238 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.839 -1.723 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.506 -0.240 -8.068 1.00 0.00 H new ATOM 822 N LYS A 57 1.842 0.307 -9.778 1.00 0.00 N ATOM 823 CA LYS A 57 2.711 1.517 -9.773 1.00 0.00 C ATOM 824 C LYS A 57 2.130 2.556 -10.733 1.00 0.00 C ATOM 825 O LYS A 57 1.332 2.240 -11.593 1.00 0.00 O ATOM 826 CB LYS A 57 4.122 1.134 -10.228 1.00 0.00 C ATOM 827 CG LYS A 57 4.972 0.775 -9.008 1.00 0.00 C ATOM 828 CD LYS A 57 4.415 -0.492 -8.352 1.00 0.00 C ATOM 829 CE LYS A 57 5.572 -1.398 -7.928 1.00 0.00 C ATOM 830 NZ LYS A 57 6.659 -0.572 -7.333 1.00 0.00 N ATOM 0 H LYS A 57 1.860 -0.236 -10.641 1.00 0.00 H new ATOM 0 HA LYS A 57 2.756 1.932 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.077 0.289 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.578 1.962 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.008 0.617 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.969 1.599 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.809 -0.229 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.763 -1.019 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.224 -2.135 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.950 -1.950 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.171 -1.132 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.318 -0.275 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.248 0.269 -6.881 1.00 0.00 H new ATOM 844 N PHE A 58 2.520 3.793 -10.596 1.00 0.00 N ATOM 845 CA PHE A 58 1.980 4.842 -11.504 1.00 0.00 C ATOM 846 C PHE A 58 2.777 6.138 -11.332 1.00 0.00 C ATOM 847 O PHE A 58 3.631 6.247 -10.475 1.00 0.00 O ATOM 848 CB PHE A 58 0.511 5.102 -11.164 1.00 0.00 C ATOM 849 CG PHE A 58 0.428 6.020 -9.969 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.685 5.524 -8.686 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.094 7.369 -10.144 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.610 6.376 -7.577 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.018 8.221 -9.035 1.00 0.00 C ATOM 854 CZ PHE A 58 0.276 7.725 -7.752 1.00 0.00 C ATOM 0 H PHE A 58 3.187 4.122 -9.897 1.00 0.00 H new ATOM 0 HA PHE A 58 2.064 4.501 -12.536 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.003 5.551 -12.017 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.004 4.161 -10.950 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.941 4.484 -8.551 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.105 7.752 -11.134 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.810 5.993 -6.587 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.240 9.261 -9.170 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.218 8.382 -6.897 1.00 0.00 H new ATOM 864 N LYS A 59 2.497 7.120 -12.143 1.00 0.00 N ATOM 865 CA LYS A 59 3.230 8.414 -12.036 1.00 0.00 C ATOM 866 C LYS A 59 2.473 9.485 -12.824 1.00 0.00 C ATOM 867 O LYS A 59 2.241 9.349 -14.009 1.00 0.00 O ATOM 868 CB LYS A 59 4.638 8.253 -12.613 1.00 0.00 C ATOM 869 CG LYS A 59 5.668 8.374 -11.488 1.00 0.00 C ATOM 870 CD LYS A 59 7.000 7.772 -11.945 1.00 0.00 C ATOM 871 CE LYS A 59 7.755 8.792 -12.801 1.00 0.00 C ATOM 872 NZ LYS A 59 8.175 9.940 -11.948 1.00 0.00 N ATOM 0 H LYS A 59 1.790 7.083 -12.878 1.00 0.00 H new ATOM 0 HA LYS A 59 3.302 8.710 -10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.733 7.285 -13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.821 9.014 -13.371 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.804 9.421 -11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.311 7.858 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.601 7.492 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.822 6.862 -12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.628 8.325 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.119 9.142 -13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.097 10.295 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.468 10.700 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.253 9.627 -10.959 1.00 0.00 H new ATOM 886 N THR A 60 2.080 10.549 -12.176 1.00 0.00 N ATOM 887 CA THR A 60 1.333 11.622 -12.892 1.00 0.00 C ATOM 888 C THR A 60 2.055 12.958 -12.713 1.00 0.00 C ATOM 889 O THR A 60 2.589 13.252 -11.661 1.00 0.00 O ATOM 890 CB THR A 60 -0.083 11.726 -12.320 1.00 0.00 C ATOM 891 OG1 THR A 60 -0.102 11.186 -11.005 1.00 0.00 O ATOM 892 CG2 THR A 60 -1.053 10.946 -13.209 1.00 0.00 C ATOM 0 H THR A 60 2.244 10.721 -11.184 1.00 0.00 H new ATOM 0 HA THR A 60 1.280 11.380 -13.953 1.00 0.00 H new ATOM 0 HB THR A 60 -0.386 12.772 -12.287 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.680 10.395 -10.985 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.061 11.021 -12.801 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.038 11.362 -14.216 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.752 9.899 -13.244 1.00 0.00 H new ATOM 900 N TYR A 61 2.072 13.775 -13.731 1.00 0.00 N ATOM 901 CA TYR A 61 2.757 15.093 -13.620 1.00 0.00 C ATOM 902 C TYR A 61 2.203 16.045 -14.683 1.00 0.00 C ATOM 903 O TYR A 61 1.308 15.703 -15.430 1.00 0.00 O ATOM 904 CB TYR A 61 4.260 14.910 -13.835 1.00 0.00 C ATOM 905 CG TYR A 61 4.921 14.586 -12.517 1.00 0.00 C ATOM 906 CD1 TYR A 61 5.009 15.563 -11.518 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.448 13.308 -12.295 1.00 0.00 C ATOM 908 CE1 TYR A 61 5.622 15.261 -10.296 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.061 13.006 -11.073 1.00 0.00 C ATOM 910 CZ TYR A 61 6.148 13.982 -10.074 1.00 0.00 C ATOM 911 OH TYR A 61 6.753 13.685 -8.869 1.00 0.00 O ATOM 0 H TYR A 61 1.640 13.586 -14.636 1.00 0.00 H new ATOM 0 HA TYR A 61 2.581 15.510 -12.628 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.441 14.109 -14.551 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.691 15.818 -14.257 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.604 16.549 -11.690 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.382 12.555 -13.066 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.689 16.014 -9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.467 12.020 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 61 7.063 12.755 -8.879 1.00 0.00 H new ATOM 921 N GLY A 62 2.731 17.236 -14.759 1.00 0.00 N ATOM 922 CA GLY A 62 2.233 18.207 -15.777 1.00 0.00 C ATOM 923 C GLY A 62 1.149 19.090 -15.156 1.00 0.00 C ATOM 924 O GLY A 62 1.251 20.300 -15.149 1.00 0.00 O ATOM 0 H GLY A 62 3.484 17.579 -14.162 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.056 18.824 -16.139 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.832 17.673 -16.638 1.00 0.00 H new ATOM 928 N CYS A 63 0.110 18.495 -14.637 1.00 0.00 N ATOM 929 CA CYS A 63 -0.980 19.302 -14.019 1.00 0.00 C ATOM 930 C CYS A 63 -1.143 18.899 -12.553 1.00 0.00 C ATOM 931 O CYS A 63 -0.748 17.823 -12.148 1.00 0.00 O ATOM 932 CB CYS A 63 -2.289 19.049 -14.769 1.00 0.00 C ATOM 933 SG CYS A 63 -2.075 19.466 -16.516 1.00 0.00 S ATOM 0 H CYS A 63 -0.031 17.485 -14.614 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.728 20.361 -14.078 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.583 18.004 -14.667 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.090 19.649 -14.337 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.224 18.396 -17.239 1.00 0.00 H new ATOM 939 N GLY A 64 -1.722 19.753 -11.753 1.00 0.00 N ATOM 940 CA GLY A 64 -1.906 19.417 -10.312 1.00 0.00 C ATOM 941 C GLY A 64 -3.351 18.974 -10.066 1.00 0.00 C ATOM 942 O GLY A 64 -3.787 18.849 -8.939 1.00 0.00 O ATOM 0 H GLY A 64 -2.075 20.668 -12.034 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.218 18.623 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.671 20.283 -9.694 1.00 0.00 H new ATOM 946 N SER A 65 -4.095 18.735 -11.111 1.00 0.00 N ATOM 947 CA SER A 65 -5.509 18.299 -10.932 1.00 0.00 C ATOM 948 C SER A 65 -5.651 16.841 -11.373 1.00 0.00 C ATOM 949 O SER A 65 -6.344 16.059 -10.753 1.00 0.00 O ATOM 950 CB SER A 65 -6.425 19.179 -11.782 1.00 0.00 C ATOM 951 OG SER A 65 -6.967 20.215 -10.972 1.00 0.00 O ATOM 0 H SER A 65 -3.786 18.822 -12.079 1.00 0.00 H new ATOM 0 HA SER A 65 -5.788 18.391 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.867 19.607 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.228 18.580 -12.211 1.00 0.00 H new ATOM 0 HG SER A 65 -7.554 20.782 -11.515 1.00 0.00 H new ATOM 957 N ALA A 66 -4.998 16.468 -12.440 1.00 0.00 N ATOM 958 CA ALA A 66 -5.096 15.062 -12.920 1.00 0.00 C ATOM 959 C ALA A 66 -4.520 14.120 -11.859 1.00 0.00 C ATOM 960 O ALA A 66 -4.831 12.946 -11.822 1.00 0.00 O ATOM 961 CB ALA A 66 -4.306 14.913 -14.221 1.00 0.00 C ATOM 0 H ALA A 66 -4.401 17.077 -13.000 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.141 14.809 -13.099 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.377 13.884 -14.574 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.717 15.584 -14.975 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.260 15.164 -14.043 1.00 0.00 H new ATOM 967 N ILE A 67 -3.682 14.626 -10.996 1.00 0.00 N ATOM 968 CA ILE A 67 -3.085 13.760 -9.939 1.00 0.00 C ATOM 969 C ILE A 67 -4.205 13.109 -9.122 1.00 0.00 C ATOM 970 O ILE A 67 -4.170 11.930 -8.832 1.00 0.00 O ATOM 971 CB ILE A 67 -2.201 14.614 -9.023 1.00 0.00 C ATOM 972 CG1 ILE A 67 -0.764 14.605 -9.553 1.00 0.00 C ATOM 973 CG2 ILE A 67 -2.219 14.044 -7.603 1.00 0.00 C ATOM 974 CD1 ILE A 67 -0.138 15.987 -9.362 1.00 0.00 C ATOM 0 H ILE A 67 -3.385 15.602 -10.977 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.478 12.981 -10.400 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.583 15.635 -9.006 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.176 13.853 -9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.757 14.334 -10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.589 14.656 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.240 14.048 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.841 13.022 -7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.884 15.979 -9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.721 16.729 -9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.131 16.240 -8.302 1.00 0.00 H new ATOM 986 N ALA A 68 -5.197 13.868 -8.746 1.00 0.00 N ATOM 987 CA ALA A 68 -6.315 13.293 -7.945 1.00 0.00 C ATOM 988 C ALA A 68 -6.775 11.975 -8.577 1.00 0.00 C ATOM 989 O ALA A 68 -6.689 10.924 -7.974 1.00 0.00 O ATOM 990 CB ALA A 68 -7.484 14.280 -7.918 1.00 0.00 C ATOM 0 H ALA A 68 -5.282 14.862 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.972 13.107 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.302 13.860 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.159 15.217 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.826 14.467 -8.936 1.00 0.00 H new ATOM 996 N SER A 69 -7.266 12.025 -9.786 1.00 0.00 N ATOM 997 CA SER A 69 -7.735 10.776 -10.453 1.00 0.00 C ATOM 998 C SER A 69 -6.729 9.649 -10.205 1.00 0.00 C ATOM 999 O SER A 69 -7.093 8.550 -9.836 1.00 0.00 O ATOM 1000 CB SER A 69 -7.864 11.021 -11.957 1.00 0.00 C ATOM 1001 OG SER A 69 -6.982 10.149 -12.651 1.00 0.00 O ATOM 0 H SER A 69 -7.363 12.876 -10.340 1.00 0.00 H new ATOM 0 HA SER A 69 -8.704 10.490 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.891 10.850 -12.278 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.626 12.059 -12.190 1.00 0.00 H new ATOM 0 HG SER A 69 -7.063 10.302 -13.616 1.00 0.00 H new ATOM 1007 N SER A 70 -5.467 9.909 -10.409 1.00 0.00 N ATOM 1008 CA SER A 70 -4.444 8.847 -10.185 1.00 0.00 C ATOM 1009 C SER A 70 -4.668 8.207 -8.814 1.00 0.00 C ATOM 1010 O SER A 70 -5.051 7.058 -8.709 1.00 0.00 O ATOM 1011 CB SER A 70 -3.047 9.467 -10.237 1.00 0.00 C ATOM 1012 OG SER A 70 -2.405 9.075 -11.443 1.00 0.00 O ATOM 0 H SER A 70 -5.100 10.808 -10.720 1.00 0.00 H new ATOM 0 HA SER A 70 -4.532 8.086 -10.960 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.116 10.554 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.460 9.143 -9.377 1.00 0.00 H new ATOM 0 HG SER A 70 -1.648 8.488 -11.235 1.00 0.00 H new ATOM 1018 N SER A 71 -4.430 8.941 -7.761 1.00 0.00 N ATOM 1019 CA SER A 71 -4.629 8.374 -6.397 1.00 0.00 C ATOM 1020 C SER A 71 -5.855 7.459 -6.395 1.00 0.00 C ATOM 1021 O SER A 71 -5.865 6.419 -5.768 1.00 0.00 O ATOM 1022 CB SER A 71 -4.844 9.513 -5.398 1.00 0.00 C ATOM 1023 OG SER A 71 -3.637 9.743 -4.682 1.00 0.00 O ATOM 0 H SER A 71 -4.107 9.908 -7.786 1.00 0.00 H new ATOM 0 HA SER A 71 -3.747 7.800 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.148 10.419 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.648 9.259 -4.707 1.00 0.00 H new ATOM 0 HG SER A 71 -3.770 10.473 -4.042 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.892 7.839 -7.090 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.116 6.990 -7.123 1.00 0.00 C ATOM 1031 C LEU A 72 -7.815 5.679 -7.852 1.00 0.00 C ATOM 1032 O LEU A 72 -7.509 4.677 -7.241 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.235 7.734 -7.852 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.522 6.909 -7.784 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.230 7.173 -6.453 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.441 7.305 -8.941 1.00 0.00 C ATOM 0 H LEU A 72 -6.945 8.699 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.430 6.771 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.393 8.712 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.955 7.907 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.279 5.849 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.147 6.585 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.574 6.890 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.474 8.232 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.358 6.718 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.684 8.365 -8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.936 7.114 -9.888 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.907 5.677 -9.155 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.635 4.428 -9.925 1.00 0.00 C ATOM 1050 C ILE A 73 -6.543 3.609 -9.229 1.00 0.00 C ATOM 1051 O ILE A 73 -6.681 2.418 -9.028 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.173 4.789 -11.338 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -6.613 3.538 -12.023 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.082 5.858 -11.265 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -6.545 3.768 -13.533 1.00 0.00 C ATOM 0 H ILE A 73 -8.159 6.488 -9.720 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.549 3.837 -9.976 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.018 5.173 -11.909 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.620 3.312 -11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.245 2.677 -11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.755 6.113 -12.273 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.477 6.748 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.236 5.476 -10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.146 2.877 -14.019 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.545 3.973 -13.915 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.895 4.617 -13.743 1.00 0.00 H new ATOM 1067 N THR A 74 -5.457 4.233 -8.868 1.00 0.00 N ATOM 1068 CA THR A 74 -4.355 3.488 -8.194 1.00 0.00 C ATOM 1069 C THR A 74 -4.917 2.663 -7.034 1.00 0.00 C ATOM 1070 O THR A 74 -4.599 1.501 -6.876 1.00 0.00 O ATOM 1071 CB THR A 74 -3.321 4.482 -7.657 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.991 5.606 -7.106 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.408 4.937 -8.796 1.00 0.00 C ATOM 0 H THR A 74 -5.284 5.228 -9.010 1.00 0.00 H new ATOM 0 HA THR A 74 -3.882 2.820 -8.914 1.00 0.00 H new ATOM 0 HB THR A 74 -2.721 4.001 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.278 6.202 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.673 5.644 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.895 4.073 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.005 5.418 -9.571 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.745 3.253 -6.217 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.318 2.500 -5.065 1.00 0.00 C ATOM 1083 C GLU A 75 -7.573 1.744 -5.509 1.00 0.00 C ATOM 1084 O GLU A 75 -8.083 0.899 -4.800 1.00 0.00 O ATOM 1085 CB GLU A 75 -6.684 3.482 -3.949 1.00 0.00 C ATOM 1086 CG GLU A 75 -6.912 2.713 -2.647 1.00 0.00 C ATOM 1087 CD GLU A 75 -5.592 2.101 -2.177 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -4.556 2.656 -2.504 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -5.638 1.089 -1.498 1.00 0.00 O ATOM 0 H GLU A 75 -6.050 4.223 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.580 1.786 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.886 4.213 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.583 4.037 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.308 3.381 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.654 1.929 -2.800 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.075 2.041 -6.674 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.298 1.342 -7.161 1.00 0.00 C ATOM 1098 C TRP A 76 -8.890 0.104 -7.961 1.00 0.00 C ATOM 1099 O TRP A 76 -9.722 -0.652 -8.422 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.099 2.291 -8.058 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.518 2.354 -7.587 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.939 2.994 -6.473 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.704 1.771 -8.199 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.309 2.840 -6.360 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.826 2.093 -7.400 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -12.913 0.999 -9.356 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -15.111 1.667 -7.739 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.204 0.568 -9.700 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.301 0.902 -8.893 1.00 0.00 C ATOM 0 H TRP A 76 -7.691 2.739 -7.312 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.911 1.039 -6.312 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.655 3.286 -8.039 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.064 1.946 -9.091 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.309 3.537 -5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -13.869 3.230 -5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.075 0.736 -9.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.953 1.927 -7.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.353 -0.024 -10.591 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.292 0.568 -9.163 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.615 -0.107 -8.130 1.00 0.00 N ATOM 1121 CA VAL A 77 -7.152 -1.293 -8.902 1.00 0.00 C ATOM 1122 C VAL A 77 -6.210 -2.133 -8.037 1.00 0.00 C ATOM 1123 O VAL A 77 -6.088 -3.328 -8.215 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.410 -0.822 -10.154 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.343 0.044 -11.002 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.187 0.000 -9.739 1.00 0.00 C ATOM 0 H VAL A 77 -6.873 0.491 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.012 -1.898 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.088 -1.686 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.816 0.381 -11.895 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.216 -0.540 -11.294 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.663 0.909 -10.422 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.656 0.337 -10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.510 0.865 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.523 -0.616 -9.132 1.00 0.00 H new ATOM 1136 N LYS A 78 -5.541 -1.517 -7.100 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.607 -2.282 -6.227 1.00 0.00 C ATOM 1138 C LYS A 78 -5.389 -3.332 -5.436 1.00 0.00 C ATOM 1139 O LYS A 78 -6.195 -3.010 -4.585 1.00 0.00 O ATOM 1140 CB LYS A 78 -3.913 -1.325 -5.255 1.00 0.00 C ATOM 1141 CG LYS A 78 -2.658 -1.994 -4.690 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.133 -1.182 -3.503 1.00 0.00 C ATOM 1143 CE LYS A 78 -0.718 -0.687 -3.807 1.00 0.00 C ATOM 1144 NZ LYS A 78 0.153 -1.849 -4.142 1.00 0.00 N ATOM 0 H LYS A 78 -5.601 -0.518 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.858 -2.777 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.646 -0.400 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.591 -1.057 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.887 -3.012 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.892 -2.065 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.792 -0.335 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.129 -1.796 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.738 0.018 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.315 -0.153 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.902 -1.940 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.418 -2.718 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.584 -1.701 -5.077 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.157 -4.587 -5.708 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.885 -5.659 -4.970 1.00 0.00 C ATOM 1160 C GLY A 79 -7.117 -6.088 -5.768 1.00 0.00 C ATOM 1161 O GLY A 79 -7.958 -6.819 -5.282 1.00 0.00 O ATOM 0 H GLY A 79 -4.494 -4.917 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.228 -6.514 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.185 -5.298 -3.986 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.232 -5.643 -6.989 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.412 -6.028 -7.814 1.00 0.00 C ATOM 1167 C LYS A 80 -8.004 -7.117 -8.809 1.00 0.00 C ATOM 1168 O LYS A 80 -6.967 -7.736 -8.675 1.00 0.00 O ATOM 1169 CB LYS A 80 -8.924 -4.803 -8.573 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.345 -3.723 -7.573 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.352 -4.307 -6.581 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.196 -3.179 -5.984 1.00 0.00 C ATOM 1173 NZ LYS A 80 -10.297 -2.126 -5.431 1.00 0.00 N ATOM 0 H LYS A 80 -6.560 -5.030 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.202 -6.408 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.146 -4.419 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.769 -5.079 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.472 -3.346 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.787 -2.877 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.995 -5.030 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.829 -4.842 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.846 -2.753 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.842 -3.570 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.719 -1.727 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.372 -2.544 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.172 -1.371 -6.136 1.00 0.00 H new ATOM 1187 N SER A 81 -8.813 -7.362 -9.805 1.00 0.00 N ATOM 1188 CA SER A 81 -8.468 -8.417 -10.799 1.00 0.00 C ATOM 1189 C SER A 81 -8.386 -7.804 -12.202 1.00 0.00 C ATOM 1190 O SER A 81 -8.670 -6.640 -12.401 1.00 0.00 O ATOM 1191 CB SER A 81 -9.542 -9.505 -10.780 1.00 0.00 C ATOM 1192 OG SER A 81 -9.874 -9.812 -9.432 1.00 0.00 O ATOM 0 H SER A 81 -9.695 -6.878 -9.972 1.00 0.00 H new ATOM 0 HA SER A 81 -7.502 -8.852 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.428 -9.167 -11.317 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.181 -10.398 -11.290 1.00 0.00 H new ATOM 0 HG SER A 81 -10.564 -10.508 -9.415 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.993 -8.585 -13.172 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.886 -8.060 -14.563 1.00 0.00 C ATOM 1200 C LEU A 82 -9.275 -7.688 -15.084 1.00 0.00 C ATOM 1201 O LEU A 82 -9.411 -6.958 -16.045 1.00 0.00 O ATOM 1202 CB LEU A 82 -7.280 -9.139 -15.464 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.856 -8.744 -15.856 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -5.108 -9.976 -16.365 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.908 -7.687 -16.961 1.00 0.00 C ATOM 0 H LEU A 82 -7.741 -9.567 -13.060 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.250 -7.174 -14.567 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.272 -10.097 -14.945 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.891 -9.266 -16.357 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.338 -8.338 -14.987 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.093 -9.695 -16.645 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.072 -10.731 -15.579 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.625 -10.382 -17.235 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.894 -7.404 -17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.425 -8.094 -17.830 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.443 -6.809 -16.599 1.00 0.00 H new ATOM 1217 N GLU A 83 -10.307 -8.187 -14.462 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.684 -7.863 -14.930 1.00 0.00 C ATOM 1219 C GLU A 83 -12.069 -6.455 -14.468 1.00 0.00 C ATOM 1220 O GLU A 83 -12.681 -5.699 -15.197 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.671 -8.877 -14.347 1.00 0.00 C ATOM 1222 CG GLU A 83 -14.027 -8.723 -15.039 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.861 -9.986 -14.817 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -14.568 -10.985 -15.454 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.777 -9.933 -14.013 1.00 0.00 O ATOM 0 H GLU A 83 -10.257 -8.804 -13.651 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.714 -7.906 -16.019 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.293 -9.890 -14.485 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.778 -8.721 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.552 -7.854 -14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.885 -8.551 -16.106 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.721 -6.100 -13.262 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.073 -4.743 -12.754 1.00 0.00 C ATOM 1234 C GLU A 84 -11.260 -3.682 -13.500 1.00 0.00 C ATOM 1235 O GLU A 84 -11.780 -2.663 -13.907 1.00 0.00 O ATOM 1236 CB GLU A 84 -11.761 -4.668 -11.256 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.050 -4.406 -10.476 1.00 0.00 C ATOM 1238 CD GLU A 84 -13.958 -5.634 -10.565 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -14.017 -6.226 -11.629 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.577 -5.962 -9.566 1.00 0.00 O ATOM 0 H GLU A 84 -11.209 -6.690 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.135 -4.559 -12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.305 -5.600 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.040 -3.874 -11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.819 -4.186 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.561 -3.532 -10.880 1.00 0.00 H new ATOM 1247 N ALA A 85 -9.987 -3.909 -13.679 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.146 -2.907 -14.393 1.00 0.00 C ATOM 1249 C ALA A 85 -9.384 -3.014 -15.900 1.00 0.00 C ATOM 1250 O ALA A 85 -9.343 -2.032 -16.616 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.670 -3.174 -14.091 1.00 0.00 C ATOM 0 H ALA A 85 -9.494 -4.744 -13.362 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.413 -1.906 -14.056 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.054 -2.442 -14.613 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.498 -3.094 -13.018 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.405 -4.176 -14.427 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.631 -4.197 -16.389 1.00 0.00 N ATOM 1258 CA GLY A 86 -9.870 -4.366 -17.852 1.00 0.00 C ATOM 1259 C GLY A 86 -11.339 -4.081 -18.168 1.00 0.00 C ATOM 1260 O GLY A 86 -12.014 -4.876 -18.791 1.00 0.00 O ATOM 0 H GLY A 86 -9.678 -5.055 -15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.228 -3.689 -18.416 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.612 -5.380 -18.158 1.00 0.00 H new ATOM 1264 N ALA A 87 -11.840 -2.953 -17.742 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.265 -2.620 -18.019 1.00 0.00 C ATOM 1266 C ALA A 87 -13.542 -1.175 -17.596 1.00 0.00 C ATOM 1267 O ALA A 87 -14.300 -0.467 -18.230 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.174 -3.566 -17.232 1.00 0.00 C ATOM 0 H ALA A 87 -11.324 -2.249 -17.215 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.463 -2.731 -19.085 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.217 -3.322 -17.435 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.977 -4.595 -17.534 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.977 -3.457 -16.166 1.00 0.00 H new ATOM 1274 N ILE A 88 -12.936 -0.734 -16.529 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.163 0.664 -16.065 1.00 0.00 C ATOM 1276 C ILE A 88 -13.310 1.588 -17.275 1.00 0.00 C ATOM 1277 O ILE A 88 -12.519 1.551 -18.196 1.00 0.00 O ATOM 1278 CB ILE A 88 -11.971 1.118 -15.221 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -10.702 0.424 -15.721 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -12.212 0.749 -13.756 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -9.483 1.019 -15.016 1.00 0.00 C ATOM 0 H ILE A 88 -12.293 -1.282 -15.957 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.073 0.704 -15.466 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.854 2.198 -15.307 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.760 -0.647 -15.527 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.608 0.548 -16.800 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.362 1.073 -13.155 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.117 1.242 -13.401 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.329 -0.331 -13.667 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.579 0.525 -15.372 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.422 2.086 -15.232 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.577 0.872 -13.940 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.315 2.421 -17.280 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.507 3.349 -18.429 1.00 0.00 C ATOM 1295 C LYS A 89 -14.403 4.794 -17.939 1.00 0.00 C ATOM 1296 O LYS A 89 -14.846 5.128 -16.858 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.888 3.121 -19.048 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.202 1.623 -19.065 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.414 1.367 -19.962 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.577 -0.137 -20.187 1.00 0.00 C ATOM 1301 NZ LYS A 89 -18.601 -0.373 -21.242 1.00 0.00 N ATOM 0 H LYS A 89 -15.011 2.498 -16.538 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.738 3.161 -19.178 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.647 3.655 -18.476 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.913 3.520 -20.062 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.341 1.064 -19.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.404 1.271 -18.053 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.313 1.776 -19.501 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.286 1.876 -20.917 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.625 -0.576 -20.485 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.877 -0.624 -19.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.712 -1.396 -21.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.510 0.033 -20.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.297 0.079 -22.128 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.821 5.656 -18.726 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.689 7.080 -18.306 1.00 0.00 C ATOM 1317 C ASN A 90 -14.986 7.539 -17.635 1.00 0.00 C ATOM 1318 O ASN A 90 -14.992 8.454 -16.835 1.00 0.00 O ATOM 1319 CB ASN A 90 -13.416 7.949 -19.535 1.00 0.00 C ATOM 1320 CG ASN A 90 -14.086 7.325 -20.760 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -13.419 6.789 -21.624 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -15.384 7.371 -20.874 1.00 0.00 N ATOM 0 H ASN A 90 -13.431 5.436 -19.642 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.863 7.175 -17.601 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -13.797 8.957 -19.373 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -12.342 8.037 -19.700 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -15.839 6.957 -21.688 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -15.944 7.820 -20.150 1.00 0.00 H new ATOM 1329 N SER A 91 -16.086 6.914 -17.955 1.00 0.00 N ATOM 1330 CA SER A 91 -17.381 7.318 -17.337 1.00 0.00 C ATOM 1331 C SER A 91 -17.353 7.007 -15.838 1.00 0.00 C ATOM 1332 O SER A 91 -17.842 7.769 -15.028 1.00 0.00 O ATOM 1333 CB SER A 91 -18.523 6.546 -17.998 1.00 0.00 C ATOM 1334 OG SER A 91 -19.272 7.430 -18.822 1.00 0.00 O ATOM 0 H SER A 91 -16.144 6.141 -18.618 1.00 0.00 H new ATOM 0 HA SER A 91 -17.534 8.388 -17.481 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.125 5.724 -18.594 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.168 6.105 -17.237 1.00 0.00 H new ATOM 0 HG SER A 91 -20.004 6.938 -19.249 1.00 0.00 H new ATOM 1340 N GLN A 92 -16.785 5.895 -15.465 1.00 0.00 N ATOM 1341 CA GLN A 92 -16.727 5.536 -14.019 1.00 0.00 C ATOM 1342 C GLN A 92 -15.800 6.511 -13.288 1.00 0.00 C ATOM 1343 O GLN A 92 -16.186 7.152 -12.330 1.00 0.00 O ATOM 1344 CB GLN A 92 -16.188 4.110 -13.869 1.00 0.00 C ATOM 1345 CG GLN A 92 -17.205 3.254 -13.111 1.00 0.00 C ATOM 1346 CD GLN A 92 -16.808 1.780 -13.212 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -15.723 1.401 -12.817 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -17.648 0.925 -13.730 1.00 0.00 N ATOM 0 H GLN A 92 -16.358 5.218 -16.098 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.727 5.594 -13.589 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -15.994 3.678 -14.851 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -15.238 4.124 -13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.246 3.560 -12.066 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.202 3.402 -13.526 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.559 1.242 -14.062 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.393 -0.060 -13.803 1.00 0.00 H new ATOM 1357 N ILE A 93 -14.579 6.627 -13.734 1.00 0.00 N ATOM 1358 CA ILE A 93 -13.624 7.557 -13.067 1.00 0.00 C ATOM 1359 C ILE A 93 -14.187 8.980 -13.098 1.00 0.00 C ATOM 1360 O ILE A 93 -13.921 9.781 -12.225 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.283 7.521 -13.803 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -11.430 6.377 -13.249 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.548 8.846 -13.602 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -12.032 5.038 -13.676 1.00 0.00 C ATOM 0 H ILE A 93 -14.201 6.117 -14.533 1.00 0.00 H new ATOM 0 HA ILE A 93 -13.480 7.249 -12.031 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.460 7.365 -14.867 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.407 6.461 -13.616 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -11.384 6.437 -12.162 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.594 8.816 -14.128 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.154 9.662 -13.996 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -11.371 9.006 -12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.424 4.224 -13.281 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -13.047 4.955 -13.287 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -12.054 4.980 -14.764 1.00 0.00 H new ATOM 1376 N ALA A 94 -14.957 9.304 -14.100 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.529 10.677 -14.187 1.00 0.00 C ATOM 1378 C ALA A 94 -16.688 10.818 -13.197 1.00 0.00 C ATOM 1379 O ALA A 94 -16.659 11.648 -12.310 1.00 0.00 O ATOM 1380 CB ALA A 94 -16.039 10.928 -15.607 1.00 0.00 C ATOM 0 H ALA A 94 -15.215 8.677 -14.862 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.756 11.405 -13.943 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.458 11.932 -15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.213 10.833 -16.312 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.810 10.197 -15.851 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.710 10.020 -13.343 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.870 10.116 -12.411 1.00 0.00 C ATOM 1388 C GLU A 95 -18.385 9.971 -10.967 1.00 0.00 C ATOM 1389 O GLU A 95 -19.055 10.370 -10.036 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.873 9.004 -12.725 1.00 0.00 C ATOM 1391 CG GLU A 95 -21.082 9.132 -11.796 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.296 8.463 -12.442 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.127 7.402 -13.019 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -23.376 9.025 -12.349 1.00 0.00 O ATOM 0 H GLU A 95 -17.792 9.306 -14.067 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.351 11.086 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.191 9.070 -13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.403 8.029 -12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.866 8.666 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.294 10.183 -11.601 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.228 9.402 -10.772 1.00 0.00 N ATOM 1402 CA GLU A 96 -16.707 9.233 -9.387 1.00 0.00 C ATOM 1403 C GLU A 96 -16.117 10.558 -8.898 1.00 0.00 C ATOM 1404 O GLU A 96 -16.604 11.156 -7.959 1.00 0.00 O ATOM 1405 CB GLU A 96 -15.622 8.156 -9.378 1.00 0.00 C ATOM 1406 CG GLU A 96 -16.135 6.919 -8.636 1.00 0.00 C ATOM 1407 CD GLU A 96 -17.479 6.489 -9.226 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -17.771 6.892 -10.341 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -18.194 5.763 -8.554 1.00 0.00 O ATOM 0 H GLU A 96 -16.621 9.047 -11.511 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.521 8.933 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.348 7.893 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.722 8.536 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.413 6.107 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.246 7.139 -7.574 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.069 11.019 -9.524 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.445 12.301 -9.093 1.00 0.00 C ATOM 1418 C LEU A 97 -15.384 13.466 -9.419 1.00 0.00 C ATOM 1419 O LEU A 97 -15.214 14.566 -8.934 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.116 12.492 -9.831 1.00 0.00 C ATOM 1421 CG LEU A 97 -11.962 12.474 -8.828 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -12.039 13.717 -7.940 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -12.063 11.219 -7.957 1.00 0.00 C ATOM 0 H LEU A 97 -14.618 10.562 -10.316 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.265 12.274 -8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.982 11.701 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.123 13.437 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.014 12.469 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.217 13.705 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.968 14.611 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.987 13.722 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.241 11.205 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.011 11.224 -7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.009 10.332 -8.589 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.373 13.232 -10.236 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.322 14.327 -10.591 1.00 0.00 C ATOM 1437 C GLU A 98 -16.539 15.543 -11.092 1.00 0.00 C ATOM 1438 O GLU A 98 -16.824 16.667 -10.730 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.133 14.719 -9.354 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.012 13.544 -8.924 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.045 14.025 -7.903 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -20.054 15.210 -7.613 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -20.808 13.200 -7.429 1.00 0.00 O ATOM 0 H GLU A 98 -16.566 12.331 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.996 13.982 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -17.463 15.001 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.752 15.589 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.515 13.116 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -18.397 12.756 -8.491 1.00 0.00 H new ATOM 1450 N LEU A 99 -15.555 15.329 -11.922 1.00 0.00 N ATOM 1451 CA LEU A 99 -14.758 16.475 -12.444 1.00 0.00 C ATOM 1452 C LEU A 99 -15.454 17.060 -13.676 1.00 0.00 C ATOM 1453 O LEU A 99 -16.141 16.362 -14.397 1.00 0.00 O ATOM 1454 CB LEU A 99 -13.354 15.989 -12.826 1.00 0.00 C ATOM 1455 CG LEU A 99 -13.410 15.209 -14.144 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -12.006 14.723 -14.507 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -14.339 14.004 -13.986 1.00 0.00 C ATOM 0 H LEU A 99 -15.269 14.411 -12.261 1.00 0.00 H new ATOM 0 HA LEU A 99 -14.677 17.244 -11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -12.680 16.840 -12.926 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -12.952 15.355 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 99 -13.788 15.858 -14.934 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.044 14.168 -15.444 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.342 15.580 -14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.630 14.074 -13.716 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.378 13.450 -14.924 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.961 13.355 -13.196 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -15.340 14.348 -13.725 1.00 0.00 H new ATOM 1469 N PRO A 100 -15.273 18.331 -13.918 1.00 0.00 N ATOM 1470 CA PRO A 100 -15.887 19.019 -15.085 1.00 0.00 C ATOM 1471 C PRO A 100 -15.821 18.162 -16.354 1.00 0.00 C ATOM 1472 O PRO A 100 -14.773 18.013 -16.951 1.00 0.00 O ATOM 1473 CB PRO A 100 -15.032 20.275 -15.242 1.00 0.00 C ATOM 1474 CG PRO A 100 -14.517 20.579 -13.873 1.00 0.00 C ATOM 1475 CD PRO A 100 -14.463 19.253 -13.106 1.00 0.00 C ATOM 0 HA PRO A 100 -16.946 19.227 -14.933 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.213 20.108 -15.941 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.621 21.105 -15.633 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.528 21.034 -13.926 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.168 21.291 -13.366 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -13.439 18.896 -13.001 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.869 19.358 -12.100 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.927 17.592 -16.760 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.980 16.729 -17.973 1.00 0.00 C ATOM 1485 C PRO A 101 -16.947 17.544 -19.269 1.00 0.00 C ATOM 1486 O PRO A 101 -17.337 17.072 -20.319 1.00 0.00 O ATOM 1487 CB PRO A 101 -18.309 15.987 -17.836 1.00 0.00 C ATOM 1488 CG PRO A 101 -19.173 16.854 -16.980 1.00 0.00 C ATOM 1489 CD PRO A 101 -18.244 17.710 -16.114 1.00 0.00 C ATOM 0 HA PRO A 101 -16.118 16.065 -18.034 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.766 15.821 -18.811 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -18.165 15.007 -17.380 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -19.814 17.485 -17.596 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.828 16.247 -16.356 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.578 18.747 -16.079 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.216 17.349 -15.086 1.00 0.00 H new ATOM 1497 N VAL A 102 -16.481 18.760 -19.204 1.00 0.00 N ATOM 1498 CA VAL A 102 -16.422 19.600 -20.432 1.00 0.00 C ATOM 1499 C VAL A 102 -15.339 19.061 -21.369 1.00 0.00 C ATOM 1500 O VAL A 102 -15.515 19.008 -22.569 1.00 0.00 O ATOM 1501 CB VAL A 102 -16.093 21.044 -20.047 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -17.274 21.651 -19.289 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -14.851 21.062 -19.154 1.00 0.00 C ATOM 0 H VAL A 102 -16.139 19.208 -18.354 1.00 0.00 H new ATOM 0 HA VAL A 102 -17.387 19.570 -20.939 1.00 0.00 H new ATOM 0 HB VAL A 102 -15.902 21.626 -20.948 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -17.040 22.680 -19.014 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -18.160 21.637 -19.924 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -17.465 21.069 -18.387 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.615 22.090 -18.879 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -15.043 20.480 -18.253 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.009 20.629 -19.693 1.00 0.00 H new ATOM 1513 N LYS A 103 -14.219 18.660 -20.830 1.00 0.00 N ATOM 1514 CA LYS A 103 -13.129 18.123 -21.693 1.00 0.00 C ATOM 1515 C LYS A 103 -12.986 16.618 -21.459 1.00 0.00 C ATOM 1516 O LYS A 103 -12.493 15.893 -22.301 1.00 0.00 O ATOM 1517 CB LYS A 103 -11.811 18.820 -21.347 1.00 0.00 C ATOM 1518 CG LYS A 103 -11.714 20.147 -22.107 1.00 0.00 C ATOM 1519 CD LYS A 103 -10.264 20.636 -22.093 1.00 0.00 C ATOM 1520 CE LYS A 103 -10.103 21.784 -23.092 1.00 0.00 C ATOM 1521 NZ LYS A 103 -8.921 21.522 -23.961 1.00 0.00 N ATOM 0 H LYS A 103 -14.012 18.681 -19.831 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.373 18.307 -22.739 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.754 19.000 -20.273 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.970 18.178 -21.608 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.055 20.016 -23.134 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.365 20.891 -21.647 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.991 20.970 -21.092 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.591 19.818 -22.351 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -11.002 21.879 -23.701 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.976 22.728 -22.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.810 22.301 -24.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.066 21.452 -23.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.060 20.630 -24.477 1.00 0.00 H new ATOM 1535 N VAL A 104 -13.413 16.141 -20.322 1.00 0.00 N ATOM 1536 CA VAL A 104 -13.302 14.682 -20.036 1.00 0.00 C ATOM 1537 C VAL A 104 -11.945 14.172 -20.525 1.00 0.00 C ATOM 1538 O VAL A 104 -11.806 13.031 -20.919 1.00 0.00 O ATOM 1539 CB VAL A 104 -14.420 13.927 -20.761 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -14.630 12.567 -20.094 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -15.722 14.730 -20.690 1.00 0.00 C ATOM 0 H VAL A 104 -13.834 16.698 -19.579 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.392 14.516 -18.962 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.139 13.787 -21.805 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.425 12.028 -20.609 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.707 11.989 -20.147 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.907 12.713 -19.050 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.513 14.187 -21.208 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.004 14.875 -19.647 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.577 15.700 -21.165 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.941 15.007 -20.502 1.00 0.00 N ATOM 1552 CA HIS A 105 -9.595 14.566 -20.967 1.00 0.00 C ATOM 1553 C HIS A 105 -8.895 13.793 -19.848 1.00 0.00 C ATOM 1554 O HIS A 105 -8.177 12.844 -20.091 1.00 0.00 O ATOM 1555 CB HIS A 105 -8.757 15.789 -21.343 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.833 15.430 -22.474 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -7.705 14.129 -22.939 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -6.985 16.188 -23.244 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -6.813 14.142 -23.946 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.347 15.372 -24.170 1.00 0.00 N ATOM 0 H HIS A 105 -10.995 15.974 -20.182 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.707 13.921 -21.839 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -9.407 16.613 -21.637 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -8.181 16.129 -20.482 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -6.837 17.253 -23.145 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -6.512 13.267 -24.503 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.665 15.654 -24.874 1.00 0.00 H new ATOM 1568 N CYS A 106 -9.100 14.190 -18.621 1.00 0.00 N ATOM 1569 CA CYS A 106 -8.446 13.474 -17.489 1.00 0.00 C ATOM 1570 C CYS A 106 -8.886 12.009 -17.487 1.00 0.00 C ATOM 1571 O CYS A 106 -8.090 11.111 -17.682 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.853 14.131 -16.169 1.00 0.00 C ATOM 1573 SG CYS A 106 -8.439 15.893 -16.217 1.00 0.00 S ATOM 0 H CYS A 106 -9.691 14.978 -18.354 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.363 13.526 -17.603 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.922 14.002 -16.001 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.340 13.649 -15.337 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.787 16.451 -15.096 1.00 0.00 H new ATOM 1579 N SER A 107 -10.148 11.759 -17.266 1.00 0.00 N ATOM 1580 CA SER A 107 -10.639 10.352 -17.249 1.00 0.00 C ATOM 1581 C SER A 107 -10.183 9.630 -18.519 1.00 0.00 C ATOM 1582 O SER A 107 -9.507 8.622 -18.463 1.00 0.00 O ATOM 1583 CB SER A 107 -12.166 10.346 -17.181 1.00 0.00 C ATOM 1584 OG SER A 107 -12.599 11.347 -16.271 1.00 0.00 O ATOM 0 H SER A 107 -10.860 12.469 -17.096 1.00 0.00 H new ATOM 0 HA SER A 107 -10.232 9.839 -16.377 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.586 10.531 -18.170 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.523 9.367 -16.860 1.00 0.00 H new ATOM 0 HG SER A 107 -13.288 11.899 -16.696 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.550 10.135 -19.665 1.00 0.00 N ATOM 1591 CA ILE A 108 -10.139 9.474 -20.935 1.00 0.00 C ATOM 1592 C ILE A 108 -8.677 9.034 -20.832 1.00 0.00 C ATOM 1593 O ILE A 108 -8.312 7.957 -21.262 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.298 10.456 -22.097 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.775 10.550 -22.486 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.487 9.965 -23.297 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -11.945 11.588 -23.598 1.00 0.00 C ATOM 0 H ILE A 108 -11.116 10.976 -19.776 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.768 8.601 -21.110 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.937 11.439 -21.793 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.136 9.578 -22.823 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.373 10.829 -21.619 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.601 10.665 -24.124 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.435 9.897 -23.022 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.847 8.982 -23.602 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.997 11.655 -23.875 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.600 12.560 -23.244 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.359 11.289 -24.467 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.837 9.856 -20.266 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.401 9.481 -20.137 1.00 0.00 C ATOM 1611 C LEU A 109 -6.276 8.254 -19.229 1.00 0.00 C ATOM 1612 O LEU A 109 -5.576 7.309 -19.536 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.622 10.648 -19.524 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.664 11.228 -20.564 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.468 11.860 -21.702 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.786 12.295 -19.907 1.00 0.00 C ATOM 0 H LEU A 109 -8.083 10.771 -19.887 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.995 9.250 -21.122 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.312 11.419 -19.181 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.065 10.308 -18.651 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.034 10.432 -20.962 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.785 12.274 -22.444 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.095 11.101 -22.170 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.097 12.656 -21.304 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.102 12.710 -20.647 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.416 13.090 -19.509 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.213 11.846 -19.096 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.949 8.264 -18.112 1.00 0.00 N ATOM 1629 CA ALA A 110 -6.870 7.104 -17.181 1.00 0.00 C ATOM 1630 C ALA A 110 -7.232 5.816 -17.926 1.00 0.00 C ATOM 1631 O ALA A 110 -6.406 4.946 -18.116 1.00 0.00 O ATOM 1632 CB ALA A 110 -7.848 7.313 -16.024 1.00 0.00 C ATOM 0 H ALA A 110 -7.551 9.027 -17.803 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.855 7.023 -16.793 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.791 6.465 -15.342 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.589 8.227 -15.489 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.862 7.397 -16.415 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.462 5.686 -18.346 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.873 4.451 -19.073 1.00 0.00 C ATOM 1640 C GLU A 111 -7.829 4.105 -20.134 1.00 0.00 C ATOM 1641 O GLU A 111 -7.116 3.127 -20.022 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.226 4.682 -19.748 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.467 3.585 -20.787 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.011 4.077 -22.163 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -10.256 5.231 -22.470 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -9.424 3.288 -22.887 1.00 0.00 O ATOM 0 H GLU A 111 -9.198 6.380 -18.217 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.954 3.627 -18.364 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.022 4.675 -19.004 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.244 5.662 -20.226 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.921 2.683 -20.512 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.524 3.322 -20.815 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.736 4.894 -21.168 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.740 4.607 -22.238 1.00 0.00 C ATOM 1655 C ASP A 112 -5.445 4.097 -21.604 1.00 0.00 C ATOM 1656 O ASP A 112 -4.681 3.380 -22.221 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.455 5.886 -23.029 1.00 0.00 C ATOM 1658 CG ASP A 112 -6.479 5.577 -24.527 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -7.433 4.958 -24.969 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -5.544 5.967 -25.206 1.00 0.00 O ATOM 0 H ASP A 112 -8.307 5.726 -21.318 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.138 3.848 -22.911 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.199 6.646 -22.792 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.484 6.292 -22.746 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.188 4.462 -20.378 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.940 4.000 -19.706 1.00 0.00 C ATOM 1667 C ALA A 113 -4.073 2.521 -19.331 1.00 0.00 C ATOM 1668 O ALA A 113 -3.338 1.682 -19.812 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.702 4.827 -18.442 1.00 0.00 C ATOM 0 H ALA A 113 -5.789 5.061 -19.812 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.098 4.126 -20.386 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.789 4.488 -17.952 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.601 5.879 -18.709 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.546 4.704 -17.763 1.00 0.00 H new ATOM 1675 N ILE A 114 -5.001 2.195 -18.472 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.172 0.771 -18.067 1.00 0.00 C ATOM 1677 C ILE A 114 -5.150 -0.122 -19.310 1.00 0.00 C ATOM 1678 O ILE A 114 -4.609 -1.210 -19.293 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.506 0.601 -17.334 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.403 -0.572 -16.358 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.620 0.324 -18.345 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.813 -0.086 -15.033 1.00 0.00 C ATOM 0 H ILE A 114 -5.647 2.852 -18.034 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.357 0.484 -17.402 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.735 1.515 -16.786 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.388 -1.007 -16.191 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.776 -1.356 -16.781 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.567 0.204 -17.819 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.695 1.159 -19.041 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.393 -0.589 -18.896 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.740 -0.923 -14.338 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.820 0.329 -15.207 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.458 0.683 -14.608 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.731 0.328 -20.389 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.735 -0.499 -21.627 1.00 0.00 C ATOM 1696 C LYS A 115 -4.305 -0.631 -22.154 1.00 0.00 C ATOM 1697 O LYS A 115 -3.874 -1.697 -22.547 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.611 0.171 -22.689 1.00 0.00 C ATOM 1699 CG LYS A 115 -6.921 -0.835 -23.800 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.544 -0.107 -24.991 1.00 0.00 C ATOM 1701 CE LYS A 115 -8.229 -1.121 -25.910 1.00 0.00 C ATOM 1702 NZ LYS A 115 -8.536 -0.477 -27.217 1.00 0.00 N ATOM 0 H LYS A 115 -6.201 1.230 -20.466 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.134 -1.488 -21.402 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.537 0.530 -22.239 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.100 1.040 -23.103 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.008 -1.344 -24.109 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.604 -1.601 -23.431 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.268 0.630 -24.642 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.776 0.436 -25.541 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.583 -1.986 -26.061 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.146 -1.486 -25.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.002 -1.165 -27.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.168 0.335 -27.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.653 -0.150 -27.659 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.566 0.444 -22.161 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.163 0.379 -22.659 1.00 0.00 C ATOM 1718 C ALA A 116 -1.370 -0.625 -21.821 1.00 0.00 C ATOM 1719 O ALA A 116 -0.697 -1.492 -22.344 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.517 1.762 -22.543 1.00 0.00 C ATOM 0 H ALA A 116 -3.872 1.364 -21.844 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.162 0.063 -23.702 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.491 1.716 -22.907 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.082 2.479 -23.140 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.518 2.078 -21.500 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.441 -0.517 -20.521 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.691 -1.467 -19.653 1.00 0.00 C ATOM 1728 C ALA A 117 -1.169 -2.893 -19.928 1.00 0.00 C ATOM 1729 O ALA A 117 -0.389 -3.772 -20.235 1.00 0.00 O ATOM 1730 CB ALA A 117 -0.934 -1.120 -18.184 1.00 0.00 C ATOM 0 H ALA A 117 -1.986 0.188 -20.024 1.00 0.00 H new ATOM 0 HA ALA A 117 0.375 -1.393 -19.870 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.385 -1.816 -17.550 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.592 -0.104 -17.989 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.999 -1.193 -17.964 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.449 -3.133 -19.823 1.00 0.00 N ATOM 1737 CA ILE A 118 -2.971 -4.503 -20.082 1.00 0.00 C ATOM 1738 C ILE A 118 -2.420 -5.009 -21.417 1.00 0.00 C ATOM 1739 O ILE A 118 -2.146 -6.181 -21.583 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.500 -4.469 -20.143 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.064 -4.345 -18.726 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.013 -5.760 -20.784 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.452 -3.704 -18.783 1.00 0.00 C ATOM 0 H ILE A 118 -3.153 -2.440 -19.569 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.657 -5.169 -19.278 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.821 -3.614 -20.738 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.125 -5.329 -18.260 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.398 -3.741 -18.110 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.102 -5.737 -20.828 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.611 -5.850 -21.793 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.692 -6.615 -20.188 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.854 -3.616 -17.774 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.377 -2.713 -19.232 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.115 -4.326 -19.384 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.254 -4.132 -22.368 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.720 -4.561 -23.691 1.00 0.00 C ATOM 1757 C ALA A 119 -0.282 -5.054 -23.523 1.00 0.00 C ATOM 1758 O ALA A 119 0.044 -6.172 -23.865 1.00 0.00 O ATOM 1759 CB ALA A 119 -1.745 -3.377 -24.660 1.00 0.00 C ATOM 0 H ALA A 119 -2.465 -3.137 -22.286 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.337 -5.367 -24.089 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.354 -3.691 -25.628 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.770 -3.026 -24.779 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.129 -2.570 -24.264 1.00 0.00 H new ATOM 1765 N ASP A 120 0.580 -4.228 -22.996 1.00 0.00 N ATOM 1766 CA ASP A 120 1.996 -4.652 -22.806 1.00 0.00 C ATOM 1767 C ASP A 120 2.047 -5.836 -21.837 1.00 0.00 C ATOM 1768 O ASP A 120 3.064 -6.483 -21.687 1.00 0.00 O ATOM 1769 CB ASP A 120 2.805 -3.488 -22.232 1.00 0.00 C ATOM 1770 CG ASP A 120 3.718 -2.917 -23.318 1.00 0.00 C ATOM 1771 OD1 ASP A 120 4.447 -3.690 -23.917 1.00 0.00 O ATOM 1772 OD2 ASP A 120 3.672 -1.717 -23.534 1.00 0.00 O ATOM 0 H ASP A 120 0.365 -3.279 -22.689 1.00 0.00 H new ATOM 0 HA ASP A 120 2.419 -4.949 -23.766 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.134 -2.713 -21.861 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.399 -3.828 -21.384 1.00 0.00 H new ATOM 1777 N TYR A 121 0.958 -6.123 -21.178 1.00 0.00 N ATOM 1778 CA TYR A 121 0.945 -7.264 -20.220 1.00 0.00 C ATOM 1779 C TYR A 121 0.654 -8.562 -20.975 1.00 0.00 C ATOM 1780 O TYR A 121 1.282 -9.577 -20.747 1.00 0.00 O ATOM 1781 CB TYR A 121 -0.139 -7.031 -19.166 1.00 0.00 C ATOM 1782 CG TYR A 121 -0.295 -8.272 -18.321 1.00 0.00 C ATOM 1783 CD1 TYR A 121 0.657 -8.575 -17.342 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -1.391 -9.121 -18.519 1.00 0.00 C ATOM 1785 CE1 TYR A 121 0.513 -9.727 -16.559 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -1.534 -10.272 -17.736 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.582 -10.576 -16.756 1.00 0.00 C ATOM 1788 OH TYR A 121 -0.723 -11.710 -15.984 1.00 0.00 O ATOM 0 H TYR A 121 0.077 -5.616 -21.262 1.00 0.00 H new ATOM 0 HA TYR A 121 1.916 -7.340 -19.731 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.127 -6.181 -18.537 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -1.085 -6.786 -19.650 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.503 -7.921 -17.190 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -2.125 -8.888 -19.276 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.248 -9.960 -15.802 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.380 -10.926 -17.888 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.537 -12.187 -16.249 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.293 -8.539 -21.873 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.621 -9.774 -22.641 1.00 0.00 C ATOM 1800 C LYS A 122 0.143 -9.768 -23.966 1.00 0.00 C ATOM 1801 O LYS A 122 -0.017 -10.647 -24.790 1.00 0.00 O ATOM 1802 CB LYS A 122 -2.125 -9.819 -22.919 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.617 -11.265 -22.833 1.00 0.00 C ATOM 1804 CD LYS A 122 -4.050 -11.349 -23.363 1.00 0.00 C ATOM 1805 CE LYS A 122 -5.026 -10.934 -22.260 1.00 0.00 C ATOM 1806 NZ LYS A 122 -6.264 -10.379 -22.877 1.00 0.00 N ATOM 0 H LYS A 122 -0.853 -7.720 -22.108 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.334 -10.650 -22.060 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.658 -9.199 -22.198 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.335 -9.410 -23.907 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.965 -11.917 -23.413 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.579 -11.613 -21.801 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.167 -10.699 -24.230 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.268 -12.365 -23.693 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.272 -11.792 -21.635 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.564 -10.189 -21.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.928 -10.096 -22.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.022 -9.550 -23.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.707 -11.103 -23.478 1.00 0.00 H new ATOM 1820 N ALA A 123 0.974 -8.785 -24.177 1.00 0.00 N ATOM 1821 CA ALA A 123 1.750 -8.724 -25.448 1.00 0.00 C ATOM 1822 C ALA A 123 3.173 -9.226 -25.197 1.00 0.00 C ATOM 1823 O ALA A 123 3.792 -9.823 -26.055 1.00 0.00 O ATOM 1824 CB ALA A 123 1.798 -7.280 -25.950 1.00 0.00 C ATOM 0 H ALA A 123 1.149 -8.021 -23.524 1.00 0.00 H new ATOM 0 HA ALA A 123 1.269 -9.351 -26.199 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.366 -7.237 -26.879 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.784 -6.923 -26.127 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.279 -6.650 -25.201 1.00 0.00 H new ATOM 1830 N LYS A 124 3.697 -8.989 -24.025 1.00 0.00 N ATOM 1831 CA LYS A 124 5.079 -9.453 -23.718 1.00 0.00 C ATOM 1832 C LYS A 124 5.063 -10.964 -23.476 1.00 0.00 C ATOM 1833 O LYS A 124 6.095 -11.600 -23.395 1.00 0.00 O ATOM 1834 CB LYS A 124 5.591 -8.739 -22.464 1.00 0.00 C ATOM 1835 CG LYS A 124 6.863 -7.959 -22.798 1.00 0.00 C ATOM 1836 CD LYS A 124 7.398 -7.287 -21.531 1.00 0.00 C ATOM 1837 CE LYS A 124 8.177 -6.027 -21.912 1.00 0.00 C ATOM 1838 NZ LYS A 124 8.836 -5.466 -20.699 1.00 0.00 N ATOM 0 H LYS A 124 3.227 -8.494 -23.267 1.00 0.00 H new ATOM 0 HA LYS A 124 5.736 -9.225 -24.557 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.827 -8.062 -22.082 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.794 -9.466 -21.678 1.00 0.00 H new ATOM 0 HG2 LYS A 124 7.616 -8.630 -23.212 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.652 -7.208 -23.559 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.573 -7.030 -20.867 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.044 -7.976 -20.986 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.925 -6.264 -22.669 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.504 -5.288 -22.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.366 -4.609 -20.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.113 -5.226 -19.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.489 -6.171 -20.302 1.00 0.00 H new