USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 ASN :FLIP amide:sc= 0.00803! C(o=-6.3!,f=1.3!) USER MOD Set 1.2: A 61 SER OG : rot 92:sc= 1.28 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 GLN : amide:sc= -0.0813 K(o=-0.081,f=-1.7!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.17) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 173:sc= -2.42! USER MOD Single : A 35 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-22!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -151:sc= -7.24! (180deg=-8.23!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.344! USER MOD Single : A 43 HIS :FLIP no HD1:sc= -2.55! C(o=-3.2!,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 95:sc= 0.0756 USER MOD Single : A 52 CYS SG : rot -49:sc= -11.5! USER MOD Single : A 53 GLN : amide:sc=-0.00585 X(o=-0.0058,f=-0.0093) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.66 F(o=-2.4!,f=-1.7) USER MOD Single : A 59 MET CE :methyl -121:sc= 0 (180deg=-0.2) USER MOD Single : A 69 GLN : amide:sc= -6.34! C(o=-6.3!,f=-14!) USER MOD Single : A 74 ASN : amide:sc= -2.99! C(o=-3!,f=-3.3!) USER MOD Single : A 75 HIS : no HD1:sc= -12.9! C(o=-13!,f=-20!) USER MOD Single : A 76 THR OG1 : rot -57:sc= 0.856 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0181) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.197 USER MOD ----------------------------------------------------------------- ATOM 310 N TYR A 21 74.451 3.354 -10.367 1.00 0.00 N ATOM 311 CA TYR A 21 75.696 3.967 -9.824 1.00 0.00 C ATOM 312 C TYR A 21 75.399 4.789 -8.569 1.00 0.00 C ATOM 313 O TYR A 21 74.390 5.460 -8.473 1.00 0.00 O ATOM 314 CB TYR A 21 76.232 4.867 -10.940 1.00 0.00 C ATOM 315 CG TYR A 21 76.604 4.034 -12.143 1.00 0.00 C ATOM 316 CD1 TYR A 21 77.706 3.168 -12.097 1.00 0.00 C ATOM 317 CD2 TYR A 21 75.840 4.130 -13.309 1.00 0.00 C ATOM 318 CE1 TYR A 21 78.038 2.402 -13.223 1.00 0.00 C ATOM 319 CE2 TYR A 21 76.172 3.365 -14.430 1.00 0.00 C ATOM 320 CZ TYR A 21 77.271 2.500 -14.388 1.00 0.00 C ATOM 321 OH TYR A 21 77.596 1.746 -15.496 1.00 0.00 O ATOM 0 HA TYR A 21 76.420 3.206 -9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 21 75.478 5.604 -11.217 1.00 0.00 H new ATOM 0 HB3 TYR A 21 77.103 5.419 -10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 21 78.297 3.091 -11.196 1.00 0.00 H new ATOM 0 HD2 TYR A 21 74.991 4.797 -13.344 1.00 0.00 H new ATOM 0 HE1 TYR A 21 78.887 1.735 -13.191 1.00 0.00 H new ATOM 0 HE2 TYR A 21 75.580 3.441 -15.330 1.00 0.00 H new ATOM 0 HH TYR A 21 76.960 1.934 -16.218 1.00 0.00 H new ATOM 331 N ILE A 22 76.284 4.738 -7.605 1.00 0.00 N ATOM 332 CA ILE A 22 76.079 5.511 -6.346 1.00 0.00 C ATOM 333 C ILE A 22 77.274 6.414 -6.105 1.00 0.00 C ATOM 334 O ILE A 22 78.318 6.220 -6.685 1.00 0.00 O ATOM 335 CB ILE A 22 76.050 4.474 -5.220 1.00 0.00 C ATOM 336 CG1 ILE A 22 77.448 3.805 -5.117 1.00 0.00 C ATOM 337 CG2 ILE A 22 74.958 3.443 -5.514 1.00 0.00 C ATOM 338 CD1 ILE A 22 77.428 2.392 -5.676 1.00 0.00 C ATOM 0 H ILE A 22 77.144 4.190 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 22 75.171 6.112 -6.396 1.00 0.00 H new ATOM 0 HB ILE A 22 75.822 4.948 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 22 78.180 4.403 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 22 77.766 3.781 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.933 2.702 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.992 3.944 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.171 2.948 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 22 78.422 1.952 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 22 76.714 1.789 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 22 77.134 2.420 -6.725 1.00 0.00 H new ATOM 350 N LYS A 23 77.168 7.344 -5.206 1.00 0.00 N ATOM 351 CA LYS A 23 78.354 8.177 -4.897 1.00 0.00 C ATOM 352 C LYS A 23 78.975 7.636 -3.609 1.00 0.00 C ATOM 353 O LYS A 23 78.420 7.774 -2.536 1.00 0.00 O ATOM 354 CB LYS A 23 77.838 9.604 -4.714 1.00 0.00 C ATOM 355 CG LYS A 23 79.015 10.529 -4.394 1.00 0.00 C ATOM 356 CD LYS A 23 79.286 11.467 -5.573 1.00 0.00 C ATOM 357 CE LYS A 23 80.263 12.561 -5.131 1.00 0.00 C ATOM 358 NZ LYS A 23 80.562 13.341 -6.365 1.00 0.00 N ATOM 0 H LYS A 23 76.323 7.562 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 23 79.113 8.159 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 23 77.332 9.939 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.104 9.637 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.796 11.112 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 23 79.904 9.937 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 23 79.703 10.907 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.354 11.913 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 23 79.822 13.195 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 23 81.171 12.131 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 81.226 14.109 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 80.988 12.714 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 79.681 13.746 -6.742 1.00 0.00 H new ATOM 372 N LEU A 24 80.108 7.002 -3.711 1.00 0.00 N ATOM 373 CA LEU A 24 80.750 6.426 -2.499 1.00 0.00 C ATOM 374 C LEU A 24 82.058 7.147 -2.196 1.00 0.00 C ATOM 375 O LEU A 24 82.808 7.494 -3.086 1.00 0.00 O ATOM 376 CB LEU A 24 81.043 4.971 -2.836 1.00 0.00 C ATOM 377 CG LEU A 24 81.517 4.246 -1.577 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.412 2.739 -1.804 1.00 0.00 C ATOM 379 CD2 LEU A 24 82.974 4.624 -1.293 1.00 0.00 C ATOM 0 H LEU A 24 80.618 6.858 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 24 80.105 6.526 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.148 4.490 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.806 4.912 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 24 80.899 4.533 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 24 81.748 2.212 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.376 2.474 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 82.037 2.454 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 24 83.315 4.108 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 24 83.597 4.332 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 24 83.048 5.701 -1.143 1.00 0.00 H new ATOM 391 N LYS A 25 82.343 7.366 -0.949 1.00 0.00 N ATOM 392 CA LYS A 25 83.606 8.051 -0.600 1.00 0.00 C ATOM 393 C LYS A 25 84.282 7.329 0.561 1.00 0.00 C ATOM 394 O LYS A 25 83.646 6.958 1.529 1.00 0.00 O ATOM 395 CB LYS A 25 83.174 9.459 -0.215 1.00 0.00 C ATOM 396 CG LYS A 25 82.274 9.406 1.028 1.00 0.00 C ATOM 397 CD LYS A 25 81.678 10.791 1.307 1.00 0.00 C ATOM 398 CE LYS A 25 80.939 10.768 2.648 1.00 0.00 C ATOM 399 NZ LYS A 25 80.675 12.198 2.968 1.00 0.00 N ATOM 0 H LYS A 25 81.756 7.100 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 25 84.332 8.063 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 84.050 10.076 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.639 9.924 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.474 8.681 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.850 9.069 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.468 11.541 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.993 11.072 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.010 10.202 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.542 10.295 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.170 12.263 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.577 12.711 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.093 12.620 2.217 1.00 0.00 H new ATOM 413 N VAL A 26 85.564 7.117 0.472 1.00 0.00 N ATOM 414 CA VAL A 26 86.265 6.409 1.572 1.00 0.00 C ATOM 415 C VAL A 26 87.461 7.223 2.060 1.00 0.00 C ATOM 416 O VAL A 26 88.201 7.791 1.284 1.00 0.00 O ATOM 417 CB VAL A 26 86.736 5.078 0.979 1.00 0.00 C ATOM 418 CG1 VAL A 26 85.600 4.435 0.178 1.00 0.00 C ATOM 419 CG2 VAL A 26 87.952 5.313 0.073 1.00 0.00 C ATOM 0 H VAL A 26 86.152 7.402 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 26 85.609 6.259 2.430 1.00 0.00 H new ATOM 0 HB VAL A 26 87.022 4.406 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 85.941 3.488 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 26 84.748 4.255 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.301 5.103 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.283 4.363 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.678 5.990 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.761 5.753 0.656 1.00 0.00 H new ATOM 429 N ILE A 27 87.665 7.258 3.342 1.00 0.00 N ATOM 430 CA ILE A 27 88.827 8.002 3.901 1.00 0.00 C ATOM 431 C ILE A 27 89.580 7.089 4.871 1.00 0.00 C ATOM 432 O ILE A 27 89.024 6.140 5.384 1.00 0.00 O ATOM 433 CB ILE A 27 88.225 9.211 4.629 1.00 0.00 C ATOM 434 CG1 ILE A 27 87.205 8.721 5.667 1.00 0.00 C ATOM 435 CG2 ILE A 27 87.540 10.132 3.615 1.00 0.00 C ATOM 436 CD1 ILE A 27 86.952 9.802 6.724 1.00 0.00 C ATOM 0 H ILE A 27 87.073 6.800 4.035 1.00 0.00 H new ATOM 0 HA ILE A 27 89.536 8.323 3.138 1.00 0.00 H new ATOM 0 HB ILE A 27 89.015 9.766 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 27 86.269 8.462 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 27 87.573 7.814 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 27 87.113 10.990 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 27 88.272 10.477 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 27 86.747 9.585 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 27 86.227 9.437 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 27 87.887 10.040 7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 86.563 10.699 6.242 1.00 0.00 H new ATOM 448 N GLY A 28 90.838 7.345 5.120 1.00 0.00 N ATOM 449 CA GLY A 28 91.594 6.454 6.049 1.00 0.00 C ATOM 450 C GLY A 28 92.587 7.256 6.905 1.00 0.00 C ATOM 451 O GLY A 28 92.915 8.402 6.606 1.00 0.00 O ATOM 0 H GLY A 28 91.369 8.122 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 28 90.896 5.925 6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.132 5.699 5.476 1.00 0.00 H new ATOM 455 N GLN A 29 93.054 6.633 7.974 1.00 0.00 N ATOM 456 CA GLN A 29 94.016 7.282 8.925 1.00 0.00 C ATOM 457 C GLN A 29 95.196 7.890 8.186 1.00 0.00 C ATOM 458 O GLN A 29 95.871 8.766 8.691 1.00 0.00 O ATOM 459 CB GLN A 29 94.475 6.155 9.849 1.00 0.00 C ATOM 460 CG GLN A 29 93.280 5.688 10.679 1.00 0.00 C ATOM 461 CD GLN A 29 92.894 6.783 11.675 1.00 0.00 C ATOM 462 OE1 GLN A 29 93.438 6.855 12.759 1.00 0.00 O ATOM 463 NE2 GLN A 29 91.980 7.652 11.343 1.00 0.00 N ATOM 0 H GLN A 29 92.798 5.679 8.227 1.00 0.00 H new ATOM 0 HA GLN A 29 93.552 8.102 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 94.877 5.327 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 29 95.276 6.503 10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 29 92.437 5.461 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 29 93.529 4.769 11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 29 91.524 7.590 10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 29 91.721 8.393 11.994 1.00 0.00 H new ATOM 472 N ASP A 30 95.440 7.466 6.988 1.00 0.00 N ATOM 473 CA ASP A 30 96.560 8.063 6.222 1.00 0.00 C ATOM 474 C ASP A 30 96.199 9.499 5.813 1.00 0.00 C ATOM 475 O ASP A 30 96.915 10.133 5.063 1.00 0.00 O ATOM 476 CB ASP A 30 96.727 7.166 4.999 1.00 0.00 C ATOM 477 CG ASP A 30 95.454 7.214 4.157 1.00 0.00 C ATOM 478 OD1 ASP A 30 94.522 7.883 4.570 1.00 0.00 O ATOM 479 OD2 ASP A 30 95.432 6.583 3.113 1.00 0.00 O ATOM 0 H ASP A 30 94.917 6.735 6.505 1.00 0.00 H new ATOM 0 HA ASP A 30 97.483 8.121 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.581 7.495 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.932 6.142 5.311 1.00 0.00 H new ATOM 484 N SER A 31 95.088 10.012 6.298 1.00 0.00 N ATOM 485 CA SER A 31 94.666 11.394 5.948 1.00 0.00 C ATOM 486 C SER A 31 94.328 11.459 4.463 1.00 0.00 C ATOM 487 O SER A 31 94.648 12.412 3.781 1.00 0.00 O ATOM 488 CB SER A 31 95.858 12.299 6.300 1.00 0.00 C ATOM 489 OG SER A 31 96.200 12.107 7.669 1.00 0.00 O ATOM 0 H SER A 31 94.455 9.519 6.928 1.00 0.00 H new ATOM 0 HA SER A 31 93.775 11.711 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 31 96.710 12.063 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 31 95.604 13.343 6.119 1.00 0.00 H new ATOM 0 HG SER A 31 96.961 12.680 7.900 1.00 0.00 H new ATOM 495 N SER A 32 93.670 10.446 3.952 1.00 0.00 N ATOM 496 CA SER A 32 93.311 10.475 2.498 1.00 0.00 C ATOM 497 C SER A 32 91.787 10.550 2.328 1.00 0.00 C ATOM 498 O SER A 32 91.055 9.760 2.887 1.00 0.00 O ATOM 499 CB SER A 32 93.828 9.162 1.900 1.00 0.00 C ATOM 500 OG SER A 32 95.168 8.940 2.323 1.00 0.00 O ATOM 0 H SER A 32 93.371 9.617 4.465 1.00 0.00 H new ATOM 0 HA SER A 32 93.747 11.344 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 32 93.194 8.333 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 32 93.782 9.203 0.812 1.00 0.00 H new ATOM 0 HG SER A 32 95.459 8.050 2.033 1.00 0.00 H new ATOM 506 N GLU A 33 91.301 11.476 1.542 1.00 0.00 N ATOM 507 CA GLU A 33 89.823 11.557 1.325 1.00 0.00 C ATOM 508 C GLU A 33 89.499 11.531 -0.159 1.00 0.00 C ATOM 509 O GLU A 33 89.942 12.367 -0.922 1.00 0.00 O ATOM 510 CB GLU A 33 89.356 12.877 1.925 1.00 0.00 C ATOM 511 CG GLU A 33 87.853 13.040 1.651 1.00 0.00 C ATOM 512 CD GLU A 33 87.274 14.076 2.615 1.00 0.00 C ATOM 513 OE1 GLU A 33 87.911 14.334 3.623 1.00 0.00 O ATOM 514 OE2 GLU A 33 86.205 14.590 2.333 1.00 0.00 O ATOM 0 H GLU A 33 91.856 12.173 1.045 1.00 0.00 H new ATOM 0 HA GLU A 33 89.323 10.708 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.548 12.893 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.912 13.707 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 33 87.691 13.355 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 33 87.343 12.085 1.776 1.00 0.00 H new ATOM 521 N ILE A 34 88.710 10.593 -0.571 1.00 0.00 N ATOM 522 CA ILE A 34 88.342 10.532 -2.003 1.00 0.00 C ATOM 523 C ILE A 34 86.848 10.266 -2.156 1.00 0.00 C ATOM 524 O ILE A 34 86.288 9.392 -1.519 1.00 0.00 O ATOM 525 CB ILE A 34 89.163 9.385 -2.582 1.00 0.00 C ATOM 526 CG1 ILE A 34 88.954 8.126 -1.745 1.00 0.00 C ATOM 527 CG2 ILE A 34 90.644 9.750 -2.582 1.00 0.00 C ATOM 528 CD1 ILE A 34 88.177 7.116 -2.581 1.00 0.00 C ATOM 0 H ILE A 34 88.304 9.866 0.018 1.00 0.00 H new ATOM 0 HA ILE A 34 88.546 11.470 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 34 88.837 9.201 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 34 89.914 7.709 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 34 88.407 8.364 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 34 91.222 8.925 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 90.799 10.643 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 34 90.971 9.944 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 34 88.018 6.208 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 34 87.213 7.541 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 88.744 6.876 -3.481 1.00 0.00 H new ATOM 540 N HIS A 35 86.202 11.008 -3.005 1.00 0.00 N ATOM 541 CA HIS A 35 84.749 10.802 -3.214 1.00 0.00 C ATOM 542 C HIS A 35 84.517 10.332 -4.658 1.00 0.00 C ATOM 543 O HIS A 35 84.944 10.980 -5.592 1.00 0.00 O ATOM 544 CB HIS A 35 84.128 12.182 -2.985 1.00 0.00 C ATOM 545 CG HIS A 35 84.515 12.667 -1.617 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.876 12.241 -0.462 1.00 0.00 N ATOM 547 CD2 HIS A 35 85.525 13.495 -1.201 1.00 0.00 C ATOM 548 CE1 HIS A 35 84.517 12.794 0.584 1.00 0.00 C ATOM 549 NE2 HIS A 35 85.528 13.572 0.188 1.00 0.00 N ATOM 0 H HIS A 35 86.620 11.751 -3.565 1.00 0.00 H new ATOM 0 HA HIS A 35 84.317 10.052 -2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.474 12.882 -3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 35 83.043 12.127 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 35 86.215 14.010 -1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 35 84.247 12.629 1.617 1.00 0.00 H new ATOM 0 HE2 HIS A 35 86.165 14.108 0.777 1.00 0.00 H new ATOM 557 N PHE A 36 83.870 9.212 -4.869 1.00 0.00 N ATOM 558 CA PHE A 36 83.666 8.752 -6.277 1.00 0.00 C ATOM 559 C PHE A 36 82.426 7.848 -6.399 1.00 0.00 C ATOM 560 O PHE A 36 81.907 7.364 -5.415 1.00 0.00 O ATOM 561 CB PHE A 36 84.974 8.039 -6.648 1.00 0.00 C ATOM 562 CG PHE A 36 85.240 6.843 -5.762 1.00 0.00 C ATOM 563 CD1 PHE A 36 85.383 6.992 -4.374 1.00 0.00 C ATOM 564 CD2 PHE A 36 85.382 5.579 -6.342 1.00 0.00 C ATOM 565 CE1 PHE A 36 85.661 5.875 -3.574 1.00 0.00 C ATOM 566 CE2 PHE A 36 85.658 4.467 -5.542 1.00 0.00 C ATOM 567 CZ PHE A 36 85.799 4.614 -4.159 1.00 0.00 C ATOM 0 H PHE A 36 83.482 8.608 -4.144 1.00 0.00 H new ATOM 0 HA PHE A 36 83.464 9.574 -6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 84.928 7.716 -7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 36 85.804 8.741 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 36 85.279 7.967 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 36 85.278 5.462 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 36 85.768 5.989 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 36 85.763 3.491 -5.993 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.014 3.753 -3.543 1.00 0.00 H new ATOM 577 N LYS A 37 81.917 7.659 -7.600 1.00 0.00 N ATOM 578 CA LYS A 37 80.675 6.830 -7.765 1.00 0.00 C ATOM 579 C LYS A 37 80.928 5.576 -8.614 1.00 0.00 C ATOM 580 O LYS A 37 81.675 5.600 -9.570 1.00 0.00 O ATOM 581 CB LYS A 37 79.699 7.739 -8.509 1.00 0.00 C ATOM 582 CG LYS A 37 79.749 9.148 -7.924 1.00 0.00 C ATOM 583 CD LYS A 37 78.369 9.786 -8.057 1.00 0.00 C ATOM 584 CE LYS A 37 77.951 9.795 -9.529 1.00 0.00 C ATOM 585 NZ LYS A 37 78.251 11.172 -10.003 1.00 0.00 N ATOM 0 H LYS A 37 82.304 8.039 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 37 80.309 6.487 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 37 79.951 7.767 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 37 78.687 7.340 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 37 80.048 9.111 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 37 80.494 9.748 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 37 77.641 9.231 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 37 78.388 10.804 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 37 78.504 9.051 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 37 76.892 9.560 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 77.991 11.258 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 77.705 11.858 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 79.267 11.364 -9.891 1.00 0.00 H new ATOM 599 N VAL A 38 80.289 4.483 -8.270 1.00 0.00 N ATOM 600 CA VAL A 38 80.465 3.212 -9.048 1.00 0.00 C ATOM 601 C VAL A 38 79.136 2.453 -9.103 1.00 0.00 C ATOM 602 O VAL A 38 78.143 2.899 -8.572 1.00 0.00 O ATOM 603 CB VAL A 38 81.484 2.411 -8.238 1.00 0.00 C ATOM 604 CG1 VAL A 38 81.787 1.066 -8.907 1.00 0.00 C ATOM 605 CG2 VAL A 38 82.773 3.213 -8.125 1.00 0.00 C ATOM 0 H VAL A 38 79.649 4.415 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 38 80.788 3.387 -10.074 1.00 0.00 H new ATOM 0 HB VAL A 38 81.066 2.219 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.515 0.518 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.869 0.483 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.193 1.239 -9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.504 2.647 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.169 3.408 -9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.570 4.160 -7.624 1.00 0.00 H new ATOM 615 N LYS A 39 79.126 1.290 -9.695 1.00 0.00 N ATOM 616 CA LYS A 39 77.884 0.478 -9.737 1.00 0.00 C ATOM 617 C LYS A 39 77.930 -0.557 -8.608 1.00 0.00 C ATOM 618 O LYS A 39 78.929 -1.213 -8.390 1.00 0.00 O ATOM 619 CB LYS A 39 77.896 -0.196 -11.105 1.00 0.00 C ATOM 620 CG LYS A 39 79.064 -1.186 -11.182 1.00 0.00 C ATOM 621 CD LYS A 39 79.024 -1.917 -12.527 1.00 0.00 C ATOM 622 CE LYS A 39 80.115 -2.993 -12.571 1.00 0.00 C ATOM 623 NZ LYS A 39 80.068 -3.534 -13.960 1.00 0.00 N ATOM 0 H LYS A 39 79.933 0.867 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 39 76.978 1.069 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 39 76.953 -0.717 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 39 77.990 0.554 -11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.011 -0.658 -11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.001 -1.903 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.045 -2.374 -12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 39 79.169 -1.207 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.094 -2.571 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 39 79.927 -3.776 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 80.788 -4.277 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.126 -3.935 -14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 80.257 -2.768 -14.637 1.00 0.00 H new ATOM 637 N MET A 40 76.860 -0.688 -7.876 1.00 0.00 N ATOM 638 CA MET A 40 76.839 -1.654 -6.742 1.00 0.00 C ATOM 639 C MET A 40 75.629 -2.575 -6.819 1.00 0.00 C ATOM 640 O MET A 40 74.735 -2.517 -5.997 1.00 0.00 O ATOM 641 CB MET A 40 76.766 -0.780 -5.491 1.00 0.00 C ATOM 642 CG MET A 40 78.159 -0.248 -5.183 1.00 0.00 C ATOM 643 SD MET A 40 79.250 -1.627 -4.791 1.00 0.00 S ATOM 644 CE MET A 40 80.718 -0.631 -4.436 1.00 0.00 C ATOM 0 H MET A 40 75.995 -0.166 -8.015 1.00 0.00 H new ATOM 0 HA MET A 40 77.714 -2.304 -6.749 1.00 0.00 H new ATOM 0 HB2 MET A 40 76.072 0.046 -5.648 1.00 0.00 H new ATOM 0 HB3 MET A 40 76.388 -1.358 -4.648 1.00 0.00 H new ATOM 0 HG2 MET A 40 78.547 0.306 -6.038 1.00 0.00 H new ATOM 0 HG3 MET A 40 78.118 0.448 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 40 81.614 -1.208 -4.666 1.00 0.00 H new ATOM 0 HE2 MET A 40 80.701 0.272 -5.046 1.00 0.00 H new ATOM 0 HE3 MET A 40 80.725 -0.356 -3.381 1.00 0.00 H new ATOM 654 N THR A 41 75.608 -3.450 -7.772 1.00 0.00 N ATOM 655 CA THR A 41 74.476 -4.396 -7.863 1.00 0.00 C ATOM 656 C THR A 41 74.889 -5.719 -7.213 1.00 0.00 C ATOM 657 O THR A 41 74.100 -6.629 -7.061 1.00 0.00 O ATOM 658 CB THR A 41 74.203 -4.542 -9.358 1.00 0.00 C ATOM 659 OG1 THR A 41 73.908 -3.262 -9.901 1.00 0.00 O ATOM 660 CG2 THR A 41 73.014 -5.469 -9.569 1.00 0.00 C ATOM 0 H THR A 41 76.324 -3.552 -8.491 1.00 0.00 H new ATOM 0 HA THR A 41 73.577 -4.060 -7.346 1.00 0.00 H new ATOM 0 HB THR A 41 75.079 -4.961 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 41 73.733 -3.347 -10.862 1.00 0.00 H new ATOM 0 HG21 THR A 41 72.819 -5.573 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 41 73.236 -6.448 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 41 72.135 -5.051 -9.079 1.00 0.00 H new ATOM 668 N THR A 42 76.130 -5.821 -6.815 1.00 0.00 N ATOM 669 CA THR A 42 76.610 -7.064 -6.163 1.00 0.00 C ATOM 670 C THR A 42 77.138 -6.731 -4.755 1.00 0.00 C ATOM 671 O THR A 42 76.369 -6.554 -3.831 1.00 0.00 O ATOM 672 CB THR A 42 77.714 -7.557 -7.097 1.00 0.00 C ATOM 673 OG1 THR A 42 78.836 -6.691 -7.010 1.00 0.00 O ATOM 674 CG2 THR A 42 77.184 -7.559 -8.534 1.00 0.00 C ATOM 0 H THR A 42 76.833 -5.089 -6.917 1.00 0.00 H new ATOM 0 HA THR A 42 75.840 -7.823 -6.021 1.00 0.00 H new ATOM 0 HB THR A 42 78.015 -8.564 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 42 79.543 -7.011 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 42 77.965 -7.909 -9.209 1.00 0.00 H new ATOM 0 HG22 THR A 42 76.321 -8.221 -8.603 1.00 0.00 H new ATOM 0 HG23 THR A 42 76.889 -6.548 -8.814 1.00 0.00 H new ATOM 682 N HIS A 43 78.430 -6.613 -4.579 1.00 0.00 N ATOM 683 CA HIS A 43 78.962 -6.255 -3.225 1.00 0.00 C ATOM 684 C HIS A 43 79.946 -5.080 -3.376 1.00 0.00 C ATOM 685 O HIS A 43 80.422 -4.799 -4.458 1.00 0.00 O ATOM 686 CB HIS A 43 79.670 -7.511 -2.673 1.00 0.00 C ATOM 687 CG HIS A 43 78.946 -8.770 -3.096 1.00 0.00 C ATOM 688 ND1 HIS A 43 77.681 -9.247 -2.834 1.00 0.00 N flip ATOM 689 CD2 HIS A 43 79.550 -9.733 -3.894 1.00 0.00 C flip ATOM 690 CE1 HIS A 43 77.504 -10.480 -3.461 1.00 0.00 C flip ATOM 691 NE2 HIS A 43 78.659 -10.725 -4.086 1.00 0.00 N flip ATOM 0 H HIS A 43 79.134 -6.747 -5.305 1.00 0.00 H new ATOM 0 HA HIS A 43 78.172 -5.947 -2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.699 -7.541 -3.032 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.713 -7.460 -1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 43 80.554 -9.694 -4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 43 76.622 -11.103 -3.445 1.00 0.00 H new ATOM 0 HE2 HIS A 43 78.844 -11.561 -4.641 1.00 0.00 H new ATOM 699 N LEU A 44 80.243 -4.379 -2.309 1.00 0.00 N ATOM 700 CA LEU A 44 81.179 -3.208 -2.400 1.00 0.00 C ATOM 701 C LEU A 44 82.580 -3.616 -2.876 1.00 0.00 C ATOM 702 O LEU A 44 83.453 -2.783 -3.033 1.00 0.00 O ATOM 703 CB LEU A 44 81.219 -2.621 -0.987 1.00 0.00 C ATOM 704 CG LEU A 44 81.540 -3.713 0.029 1.00 0.00 C ATOM 705 CD1 LEU A 44 82.989 -3.577 0.494 1.00 0.00 C ATOM 706 CD2 LEU A 44 80.607 -3.555 1.227 1.00 0.00 C ATOM 0 H LEU A 44 79.878 -4.566 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 44 80.833 -2.483 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 44 81.970 -1.833 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.259 -2.163 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 44 81.403 -4.693 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 44 83.213 -4.359 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 44 83.657 -3.674 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 44 83.132 -2.601 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.825 -4.329 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 44 80.757 -2.574 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 44 79.572 -3.649 0.897 1.00 0.00 H new ATOM 718 N LYS A 45 82.812 -4.877 -3.118 1.00 0.00 N ATOM 719 CA LYS A 45 84.154 -5.301 -3.594 1.00 0.00 C ATOM 720 C LYS A 45 84.502 -4.631 -4.925 1.00 0.00 C ATOM 721 O LYS A 45 85.638 -4.273 -5.174 1.00 0.00 O ATOM 722 CB LYS A 45 84.064 -6.818 -3.772 1.00 0.00 C ATOM 723 CG LYS A 45 85.415 -7.344 -4.261 1.00 0.00 C ATOM 724 CD LYS A 45 85.308 -8.834 -4.593 1.00 0.00 C ATOM 725 CE LYS A 45 86.514 -9.235 -5.445 1.00 0.00 C ATOM 726 NZ LYS A 45 86.113 -10.500 -6.129 1.00 0.00 N ATOM 0 H LYS A 45 82.131 -5.628 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 45 84.934 -5.016 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 45 83.795 -7.292 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 45 83.281 -7.067 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 45 85.733 -6.788 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 45 86.174 -7.187 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 45 85.280 -9.424 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 45 84.382 -9.036 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 45 86.760 -8.458 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 87.399 -9.386 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.894 -10.832 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.892 -11.225 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 85.273 -10.326 -6.717 1.00 0.00 H new ATOM 740 N LYS A 46 83.540 -4.485 -5.790 1.00 0.00 N ATOM 741 CA LYS A 46 83.819 -3.872 -7.119 1.00 0.00 C ATOM 742 C LYS A 46 84.391 -2.453 -6.973 1.00 0.00 C ATOM 743 O LYS A 46 85.295 -2.079 -7.693 1.00 0.00 O ATOM 744 CB LYS A 46 82.460 -3.839 -7.832 1.00 0.00 C ATOM 745 CG LYS A 46 81.910 -5.266 -8.025 1.00 0.00 C ATOM 746 CD LYS A 46 83.057 -6.256 -8.283 1.00 0.00 C ATOM 747 CE LYS A 46 82.490 -7.633 -8.665 1.00 0.00 C ATOM 748 NZ LYS A 46 83.365 -8.626 -7.972 1.00 0.00 N ATOM 0 H LYS A 46 82.571 -4.764 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 46 84.565 -4.440 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.753 -3.247 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.564 -3.350 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 46 81.352 -5.570 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 46 81.212 -5.283 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.697 -5.883 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.679 -6.344 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 46 81.452 -7.733 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 46 82.507 -7.780 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 83.036 -9.589 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 84.345 -8.513 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 83.323 -8.468 -6.945 1.00 0.00 H new ATOM 762 N LEU A 47 83.896 -1.650 -6.063 1.00 0.00 N ATOM 763 CA LEU A 47 84.469 -0.273 -5.934 1.00 0.00 C ATOM 764 C LEU A 47 85.721 -0.265 -5.054 1.00 0.00 C ATOM 765 O LEU A 47 86.754 0.253 -5.429 1.00 0.00 O ATOM 766 CB LEU A 47 83.383 0.589 -5.283 1.00 0.00 C ATOM 767 CG LEU A 47 84.005 1.908 -4.806 1.00 0.00 C ATOM 768 CD1 LEU A 47 83.133 3.071 -5.246 1.00 0.00 C ATOM 769 CD2 LEU A 47 84.087 1.920 -3.284 1.00 0.00 C ATOM 0 H LEU A 47 83.139 -1.879 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 47 84.762 0.104 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.583 0.787 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.936 0.059 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 47 85.003 2.001 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 47 83.576 4.007 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.058 3.079 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 47 82.138 2.963 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.529 2.859 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.086 1.822 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 47 84.705 1.088 -2.946 1.00 0.00 H new ATOM 781 N LYS A 48 85.626 -0.804 -3.871 1.00 0.00 N ATOM 782 CA LYS A 48 86.798 -0.792 -2.952 1.00 0.00 C ATOM 783 C LYS A 48 87.987 -1.530 -3.563 1.00 0.00 C ATOM 784 O LYS A 48 89.123 -1.181 -3.316 1.00 0.00 O ATOM 785 CB LYS A 48 86.302 -1.469 -1.678 1.00 0.00 C ATOM 786 CG LYS A 48 85.957 -2.928 -1.958 1.00 0.00 C ATOM 787 CD LYS A 48 87.023 -3.838 -1.334 1.00 0.00 C ATOM 788 CE LYS A 48 86.689 -5.305 -1.612 1.00 0.00 C ATOM 789 NZ LYS A 48 87.830 -6.073 -1.052 1.00 0.00 N ATOM 0 H LYS A 48 84.788 -1.252 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 48 87.158 0.218 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 48 87.068 -1.411 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 48 85.424 -0.946 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 48 84.976 -3.165 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 48 85.902 -3.099 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.004 -3.596 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 48 87.075 -3.666 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 48 85.750 -5.592 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 48 86.577 -5.488 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.673 -7.090 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 88.709 -5.784 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.908 -5.884 -0.032 1.00 0.00 H new ATOM 803 N GLU A 49 87.761 -2.523 -4.376 1.00 0.00 N ATOM 804 CA GLU A 49 88.924 -3.214 -4.992 1.00 0.00 C ATOM 805 C GLU A 49 89.640 -2.216 -5.902 1.00 0.00 C ATOM 806 O GLU A 49 90.844 -2.100 -5.883 1.00 0.00 O ATOM 807 CB GLU A 49 88.347 -4.369 -5.810 1.00 0.00 C ATOM 808 CG GLU A 49 87.615 -3.813 -7.032 1.00 0.00 C ATOM 809 CD GLU A 49 86.888 -4.948 -7.748 1.00 0.00 C ATOM 810 OE1 GLU A 49 86.724 -5.993 -7.140 1.00 0.00 O ATOM 811 OE2 GLU A 49 86.508 -4.755 -8.891 1.00 0.00 O ATOM 0 H GLU A 49 86.841 -2.880 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 49 89.636 -3.587 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 49 89.146 -5.040 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 87.662 -4.955 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 49 86.903 -3.047 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 49 88.324 -3.337 -7.709 1.00 0.00 H new ATOM 818 N SER A 50 88.894 -1.465 -6.675 1.00 0.00 N ATOM 819 CA SER A 50 89.529 -0.443 -7.553 1.00 0.00 C ATOM 820 C SER A 50 90.226 0.577 -6.663 1.00 0.00 C ATOM 821 O SER A 50 91.327 1.014 -6.937 1.00 0.00 O ATOM 822 CB SER A 50 88.375 0.212 -8.314 1.00 0.00 C ATOM 823 OG SER A 50 87.806 -0.728 -9.215 1.00 0.00 O ATOM 0 H SER A 50 87.877 -1.518 -6.733 1.00 0.00 H new ATOM 0 HA SER A 50 90.264 -0.862 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 50 87.618 0.565 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 50 88.734 1.084 -8.861 1.00 0.00 H new ATOM 0 HG SER A 50 87.038 -1.164 -8.791 1.00 0.00 H new ATOM 829 N TYR A 51 89.593 0.934 -5.576 1.00 0.00 N ATOM 830 CA TYR A 51 90.216 1.898 -4.632 1.00 0.00 C ATOM 831 C TYR A 51 91.465 1.261 -4.030 1.00 0.00 C ATOM 832 O TYR A 51 92.487 1.891 -3.858 1.00 0.00 O ATOM 833 CB TYR A 51 89.166 2.144 -3.539 1.00 0.00 C ATOM 834 CG TYR A 51 89.746 3.040 -2.470 1.00 0.00 C ATOM 835 CD1 TYR A 51 90.105 4.358 -2.771 1.00 0.00 C ATOM 836 CD2 TYR A 51 89.936 2.540 -1.178 1.00 0.00 C ATOM 837 CE1 TYR A 51 90.654 5.177 -1.776 1.00 0.00 C ATOM 838 CE2 TYR A 51 90.488 3.356 -0.186 1.00 0.00 C ATOM 839 CZ TYR A 51 90.847 4.675 -0.482 1.00 0.00 C ATOM 840 OH TYR A 51 91.398 5.477 0.498 1.00 0.00 O ATOM 0 H TYR A 51 88.670 0.597 -5.304 1.00 0.00 H new ATOM 0 HA TYR A 51 90.509 2.830 -5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 51 88.278 2.605 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 51 88.852 1.196 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 51 89.959 4.744 -3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 51 89.656 1.523 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.929 6.196 -2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.637 2.967 0.810 1.00 0.00 H new ATOM 0 HH TYR A 51 91.461 4.973 1.336 1.00 0.00 H new ATOM 850 N CYS A 52 91.369 0.005 -3.694 1.00 0.00 N ATOM 851 CA CYS A 52 92.524 -0.701 -3.080 1.00 0.00 C ATOM 852 C CYS A 52 93.625 -0.999 -4.125 1.00 0.00 C ATOM 853 O CYS A 52 94.784 -0.781 -3.886 1.00 0.00 O ATOM 854 CB CYS A 52 91.898 -1.976 -2.487 1.00 0.00 C ATOM 855 SG CYS A 52 92.002 -3.375 -3.640 1.00 0.00 S ATOM 0 H CYS A 52 90.533 -0.566 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 52 93.035 -0.110 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 52 92.406 -2.232 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 52 90.854 -1.787 -2.238 1.00 0.00 H new ATOM 0 HG CYS A 52 91.569 -3.007 -4.809 1.00 0.00 H new ATOM 861 N GLN A 53 93.278 -1.498 -5.277 1.00 0.00 N ATOM 862 CA GLN A 53 94.316 -1.799 -6.310 1.00 0.00 C ATOM 863 C GLN A 53 95.037 -0.527 -6.768 1.00 0.00 C ATOM 864 O GLN A 53 96.250 -0.492 -6.857 1.00 0.00 O ATOM 865 CB GLN A 53 93.538 -2.435 -7.465 1.00 0.00 C ATOM 866 CG GLN A 53 93.143 -3.856 -7.057 1.00 0.00 C ATOM 867 CD GLN A 53 92.639 -4.650 -8.264 1.00 0.00 C ATOM 868 OE1 GLN A 53 93.371 -4.886 -9.207 1.00 0.00 O ATOM 869 NE2 GLN A 53 91.411 -5.086 -8.261 1.00 0.00 N ATOM 0 H GLN A 53 92.319 -1.712 -5.552 1.00 0.00 H new ATOM 0 HA GLN A 53 95.096 -2.455 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 53 92.650 -1.846 -7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 53 94.149 -2.456 -8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 53 94.000 -4.363 -6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 53 92.367 -3.817 -6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 53 90.801 -4.886 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 53 91.060 -5.627 -9.051 1.00 0.00 H new ATOM 878 N ARG A 54 94.315 0.516 -7.066 1.00 0.00 N ATOM 879 CA ARG A 54 94.988 1.763 -7.525 1.00 0.00 C ATOM 880 C ARG A 54 95.822 2.375 -6.387 1.00 0.00 C ATOM 881 O ARG A 54 96.818 3.029 -6.629 1.00 0.00 O ATOM 882 CB ARG A 54 93.855 2.691 -7.985 1.00 0.00 C ATOM 883 CG ARG A 54 93.084 3.237 -6.784 1.00 0.00 C ATOM 884 CD ARG A 54 91.742 3.809 -7.260 1.00 0.00 C ATOM 885 NE ARG A 54 92.099 4.965 -8.132 1.00 0.00 N ATOM 886 CZ ARG A 54 91.170 5.792 -8.541 1.00 0.00 C ATOM 887 NH1 ARG A 54 89.911 5.477 -8.421 1.00 0.00 N ATOM 888 NH2 ARG A 54 91.504 6.934 -9.078 1.00 0.00 N ATOM 0 H ARG A 54 93.297 0.560 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 54 95.691 1.583 -8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 54 94.267 3.517 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.177 2.147 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 54 92.916 2.445 -6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 54 93.666 4.012 -6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 54 91.168 3.063 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 54 91.128 4.126 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 54 93.069 5.112 -8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.646 4.583 -8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.191 6.124 -8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 54 92.488 7.182 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 54 90.781 7.579 -9.397 1.00 0.00 H new ATOM 902 N GLN A 55 95.452 2.150 -5.151 1.00 0.00 N ATOM 903 CA GLN A 55 96.265 2.707 -4.024 1.00 0.00 C ATOM 904 C GLN A 55 96.950 1.568 -3.266 1.00 0.00 C ATOM 905 O GLN A 55 98.158 1.507 -3.164 1.00 0.00 O ATOM 906 CB GLN A 55 95.276 3.440 -3.114 1.00 0.00 C ATOM 907 CG GLN A 55 94.785 4.718 -3.800 1.00 0.00 C ATOM 908 CD GLN A 55 94.132 5.638 -2.763 1.00 0.00 C ATOM 909 OE1 GLN A 55 93.006 6.230 -3.047 1.00 0.00 O flip ATOM 910 NE2 GLN A 55 94.655 5.819 -1.682 1.00 0.00 N flip ATOM 0 H GLN A 55 94.632 1.611 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 55 97.046 3.379 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.430 2.792 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 55 95.755 3.686 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.620 5.229 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.069 4.470 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 55 95.536 5.357 -1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 55 94.213 6.433 -0.998 1.00 0.00 H new ATOM 919 N GLY A 56 96.183 0.653 -2.752 1.00 0.00 N ATOM 920 CA GLY A 56 96.778 -0.500 -2.019 1.00 0.00 C ATOM 921 C GLY A 56 95.672 -1.478 -1.611 1.00 0.00 C ATOM 922 O GLY A 56 94.694 -1.116 -0.995 1.00 0.00 O ATOM 0 H GLY A 56 95.164 0.652 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 56 97.510 -1.006 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 56 97.309 -0.147 -1.135 1.00 0.00 H new ATOM 926 N VAL A 57 95.821 -2.716 -1.963 1.00 0.00 N ATOM 927 CA VAL A 57 94.783 -3.721 -1.608 1.00 0.00 C ATOM 928 C VAL A 57 94.900 -4.088 -0.123 1.00 0.00 C ATOM 929 O VAL A 57 95.964 -3.979 0.455 1.00 0.00 O ATOM 930 CB VAL A 57 95.079 -4.907 -2.518 1.00 0.00 C ATOM 931 CG1 VAL A 57 94.881 -4.472 -3.966 1.00 0.00 C ATOM 932 CG2 VAL A 57 96.524 -5.347 -2.329 1.00 0.00 C ATOM 0 H VAL A 57 96.619 -3.081 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 57 93.764 -3.361 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 57 94.412 -5.734 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 57 95.089 -5.311 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 57 93.852 -4.143 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 57 95.560 -3.651 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 57 96.734 -6.195 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 57 97.191 -4.522 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 57 96.683 -5.639 -1.291 1.00 0.00 H new ATOM 942 N PRO A 58 93.793 -4.482 0.458 1.00 0.00 N ATOM 943 CA PRO A 58 93.761 -4.829 1.898 1.00 0.00 C ATOM 944 C PRO A 58 94.593 -6.076 2.184 1.00 0.00 C ATOM 945 O PRO A 58 94.793 -6.451 3.322 1.00 0.00 O ATOM 946 CB PRO A 58 92.277 -5.097 2.150 1.00 0.00 C ATOM 947 CG PRO A 58 91.511 -4.897 0.834 1.00 0.00 C ATOM 948 CD PRO A 58 92.518 -4.614 -0.285 1.00 0.00 C ATOM 0 HA PRO A 58 94.177 -4.049 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 58 92.134 -6.112 2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 58 91.896 -4.422 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 58 90.926 -5.786 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 58 90.809 -4.069 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 58 92.554 -5.425 -1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 58 92.271 -3.704 -0.833 1.00 0.00 H new ATOM 956 N MET A 59 95.061 -6.733 1.164 1.00 0.00 N ATOM 957 CA MET A 59 95.857 -7.968 1.388 1.00 0.00 C ATOM 958 C MET A 59 96.915 -7.745 2.476 1.00 0.00 C ATOM 959 O MET A 59 97.204 -8.639 3.246 1.00 0.00 O ATOM 960 CB MET A 59 96.526 -8.274 0.042 1.00 0.00 C ATOM 961 CG MET A 59 97.255 -9.622 0.132 1.00 0.00 C ATOM 962 SD MET A 59 98.190 -9.931 -1.390 1.00 0.00 S ATOM 963 CE MET A 59 96.796 -10.412 -2.439 1.00 0.00 C ATOM 0 H MET A 59 94.928 -6.470 0.188 1.00 0.00 H new ATOM 0 HA MET A 59 95.230 -8.793 1.727 1.00 0.00 H new ATOM 0 HB2 MET A 59 95.778 -8.304 -0.750 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.231 -7.483 -0.215 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.930 -9.622 0.988 1.00 0.00 H new ATOM 0 HG3 MET A 59 96.534 -10.423 0.294 1.00 0.00 H new ATOM 0 HE1 MET A 59 96.957 -11.421 -2.818 1.00 0.00 H new ATOM 0 HE2 MET A 59 95.876 -10.386 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 59 96.714 -9.719 -3.276 1.00 0.00 H new ATOM 973 N ASN A 60 97.508 -6.579 2.558 1.00 0.00 N ATOM 974 CA ASN A 60 98.545 -6.387 3.616 1.00 0.00 C ATOM 975 C ASN A 60 98.612 -4.938 4.136 1.00 0.00 C ATOM 976 O ASN A 60 99.447 -4.626 4.962 1.00 0.00 O ATOM 977 CB ASN A 60 99.870 -6.767 2.936 1.00 0.00 C ATOM 978 CG ASN A 60 100.445 -5.573 2.154 1.00 0.00 C ATOM 979 OD1 ASN A 60 99.649 -4.649 1.692 1.00 0.00 O flip ATOM 980 ND2 ASN A 60 101.641 -5.489 1.958 1.00 0.00 N flip ATOM 0 H ASN A 60 97.326 -5.775 1.958 1.00 0.00 H new ATOM 0 HA ASN A 60 98.317 -6.995 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 60 100.588 -7.095 3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 60 99.709 -7.607 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 60 102.268 -6.209 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 60 102.018 -4.699 1.435 1.00 0.00 H new ATOM 987 N SER A 61 97.789 -4.037 3.661 1.00 0.00 N ATOM 988 CA SER A 61 97.918 -2.634 4.167 1.00 0.00 C ATOM 989 C SER A 61 96.571 -1.961 4.467 1.00 0.00 C ATOM 990 O SER A 61 96.416 -1.299 5.474 1.00 0.00 O ATOM 991 CB SER A 61 98.618 -1.875 3.039 1.00 0.00 C ATOM 992 OG SER A 61 99.969 -2.312 2.920 1.00 0.00 O ATOM 0 H SER A 61 97.058 -4.201 2.969 1.00 0.00 H new ATOM 0 HA SER A 61 98.461 -2.631 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 61 98.091 -2.038 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 61 98.590 -0.804 3.239 1.00 0.00 H new ATOM 0 HG SER A 61 100.021 -3.039 2.265 1.00 0.00 H new ATOM 998 N LEU A 62 95.618 -2.060 3.583 1.00 0.00 N ATOM 999 CA LEU A 62 94.321 -1.349 3.812 1.00 0.00 C ATOM 1000 C LEU A 62 93.254 -2.223 4.488 1.00 0.00 C ATOM 1001 O LEU A 62 93.196 -3.422 4.304 1.00 0.00 O ATOM 1002 CB LEU A 62 93.853 -0.951 2.412 1.00 0.00 C ATOM 1003 CG LEU A 62 94.778 0.126 1.834 1.00 0.00 C ATOM 1004 CD1 LEU A 62 95.995 -0.519 1.177 1.00 0.00 C ATOM 1005 CD2 LEU A 62 94.017 0.943 0.789 1.00 0.00 C ATOM 0 H LEU A 62 95.676 -2.597 2.718 1.00 0.00 H new ATOM 0 HA LEU A 62 94.465 -0.506 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 62 93.847 -1.824 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 62 92.830 -0.578 2.454 1.00 0.00 H new ATOM 0 HG LEU A 62 95.112 0.775 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 62 96.643 0.257 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 62 96.544 -1.099 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 62 95.668 -1.177 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 62 94.674 1.709 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 62 93.680 0.285 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 62 93.154 1.418 1.256 1.00 0.00 H new ATOM 1017 N ARG A 63 92.393 -1.596 5.251 1.00 0.00 N ATOM 1018 CA ARG A 63 91.284 -2.333 5.935 1.00 0.00 C ATOM 1019 C ARG A 63 89.974 -1.570 5.725 1.00 0.00 C ATOM 1020 O ARG A 63 89.961 -0.363 5.780 1.00 0.00 O ATOM 1021 CB ARG A 63 91.668 -2.348 7.409 1.00 0.00 C ATOM 1022 CG ARG A 63 90.691 -3.235 8.176 1.00 0.00 C ATOM 1023 CD ARG A 63 91.101 -3.289 9.648 1.00 0.00 C ATOM 1024 NE ARG A 63 90.128 -2.405 10.349 1.00 0.00 N ATOM 1025 CZ ARG A 63 90.397 -1.968 11.548 1.00 0.00 C ATOM 1026 NH1 ARG A 63 91.339 -1.081 11.720 1.00 0.00 N ATOM 1027 NH2 ARG A 63 89.728 -2.417 12.573 1.00 0.00 N ATOM 0 H ARG A 63 92.411 -0.592 5.431 1.00 0.00 H new ATOM 0 HA ARG A 63 91.143 -3.343 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 63 92.685 -2.721 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 63 91.650 -1.335 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.678 -2.843 8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.685 -4.239 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 63 91.058 -4.308 10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 63 92.124 -2.939 9.786 1.00 0.00 H new ATOM 0 HE ARG A 63 89.254 -2.142 9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 63 91.863 -0.731 10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 63 91.551 -0.738 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 63 88.993 -3.111 12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 63 89.940 -2.074 13.510 1.00 0.00 H new ATOM 1041 N PHE A 64 88.873 -2.231 5.461 1.00 0.00 N ATOM 1042 CA PHE A 64 87.620 -1.445 5.222 1.00 0.00 C ATOM 1043 C PHE A 64 86.630 -1.444 6.395 1.00 0.00 C ATOM 1044 O PHE A 64 86.226 -2.469 6.919 1.00 0.00 O ATOM 1045 CB PHE A 64 86.932 -2.065 4.000 1.00 0.00 C ATOM 1046 CG PHE A 64 87.745 -1.858 2.743 1.00 0.00 C ATOM 1047 CD1 PHE A 64 88.013 -0.564 2.282 1.00 0.00 C ATOM 1048 CD2 PHE A 64 88.195 -2.964 2.016 1.00 0.00 C ATOM 1049 CE1 PHE A 64 88.734 -0.378 1.097 1.00 0.00 C ATOM 1050 CE2 PHE A 64 88.916 -2.779 0.833 1.00 0.00 C ATOM 1051 CZ PHE A 64 89.186 -1.487 0.371 1.00 0.00 C ATOM 0 H PHE A 64 88.785 -3.245 5.402 1.00 0.00 H new ATOM 0 HA PHE A 64 87.909 -0.404 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 64 86.783 -3.132 4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.944 -1.622 3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 64 87.663 0.291 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 64 87.985 -3.963 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 64 88.942 0.621 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 64 89.265 -3.635 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 64 89.742 -1.345 -0.544 1.00 0.00 H new ATOM 1061 N LEU A 65 86.179 -0.259 6.715 1.00 0.00 N ATOM 1062 CA LEU A 65 85.134 -0.048 7.755 1.00 0.00 C ATOM 1063 C LEU A 65 83.924 0.487 6.997 1.00 0.00 C ATOM 1064 O LEU A 65 84.062 1.352 6.155 1.00 0.00 O ATOM 1065 CB LEU A 65 85.714 1.001 8.711 1.00 0.00 C ATOM 1066 CG LEU A 65 84.760 1.240 9.880 1.00 0.00 C ATOM 1067 CD1 LEU A 65 84.452 -0.084 10.552 1.00 0.00 C ATOM 1068 CD2 LEU A 65 85.426 2.168 10.895 1.00 0.00 C ATOM 0 H LEU A 65 86.507 0.603 6.279 1.00 0.00 H new ATOM 0 HA LEU A 65 84.850 -0.934 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 65 86.681 0.666 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.885 1.935 8.176 1.00 0.00 H new ATOM 0 HG LEU A 65 83.839 1.693 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.771 0.081 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.987 -0.758 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.376 -0.529 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 65 84.747 2.340 11.730 1.00 0.00 H new ATOM 0 HD22 LEU A 65 86.343 1.708 11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 65 85.663 3.119 10.418 1.00 0.00 H new ATOM 1080 N PHE A 66 82.759 -0.036 7.210 1.00 0.00 N ATOM 1081 CA PHE A 66 81.616 0.465 6.393 1.00 0.00 C ATOM 1082 C PHE A 66 80.485 0.994 7.289 1.00 0.00 C ATOM 1083 O PHE A 66 80.382 2.182 7.518 1.00 0.00 O ATOM 1084 CB PHE A 66 81.222 -0.764 5.576 1.00 0.00 C ATOM 1085 CG PHE A 66 80.796 -0.369 4.187 1.00 0.00 C ATOM 1086 CD1 PHE A 66 79.468 -0.032 3.925 1.00 0.00 C ATOM 1087 CD2 PHE A 66 81.736 -0.378 3.150 1.00 0.00 C ATOM 1088 CE1 PHE A 66 79.077 0.303 2.621 1.00 0.00 C ATOM 1089 CE2 PHE A 66 81.343 -0.052 1.846 1.00 0.00 C ATOM 1090 CZ PHE A 66 80.016 0.291 1.582 1.00 0.00 C ATOM 0 H PHE A 66 82.544 -0.766 7.890 1.00 0.00 H new ATOM 0 HA PHE A 66 81.859 1.316 5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 66 82.064 -1.454 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 66 80.409 -1.292 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 66 78.743 -0.029 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 66 82.764 -0.636 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 66 78.051 0.571 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 66 82.067 -0.066 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 66 79.714 0.547 0.577 1.00 0.00 H new ATOM 1100 N GLU A 67 79.649 0.143 7.817 1.00 0.00 N ATOM 1101 CA GLU A 67 78.559 0.638 8.709 1.00 0.00 C ATOM 1102 C GLU A 67 79.167 1.213 9.989 1.00 0.00 C ATOM 1103 O GLU A 67 78.488 1.806 10.804 1.00 0.00 O ATOM 1104 CB GLU A 67 77.702 -0.586 9.034 1.00 0.00 C ATOM 1105 CG GLU A 67 78.557 -1.641 9.739 1.00 0.00 C ATOM 1106 CD GLU A 67 78.065 -3.038 9.355 1.00 0.00 C ATOM 1107 OE1 GLU A 67 76.862 -3.216 9.257 1.00 0.00 O ATOM 1108 OE2 GLU A 67 78.901 -3.906 9.164 1.00 0.00 O ATOM 0 H GLU A 67 79.671 -0.866 7.672 1.00 0.00 H new ATOM 0 HA GLU A 67 77.969 1.425 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 67 76.865 -0.298 9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 67 77.279 -0.999 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 79.604 -1.523 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 67 78.500 -1.508 10.819 1.00 0.00 H new ATOM 1115 N GLY A 68 80.443 1.023 10.172 1.00 0.00 N ATOM 1116 CA GLY A 68 81.113 1.530 11.396 1.00 0.00 C ATOM 1117 C GLY A 68 82.014 0.424 11.940 1.00 0.00 C ATOM 1118 O GLY A 68 82.886 0.659 12.751 1.00 0.00 O ATOM 0 H GLY A 68 81.054 0.533 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.699 2.420 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.373 1.819 12.142 1.00 0.00 H new ATOM 1122 N GLN A 69 81.785 -0.786 11.503 1.00 0.00 N ATOM 1123 CA GLN A 69 82.591 -1.937 11.978 1.00 0.00 C ATOM 1124 C GLN A 69 83.303 -2.580 10.795 1.00 0.00 C ATOM 1125 O GLN A 69 82.937 -2.363 9.650 1.00 0.00 O ATOM 1126 CB GLN A 69 81.547 -2.902 12.543 1.00 0.00 C ATOM 1127 CG GLN A 69 80.720 -3.464 11.387 1.00 0.00 C ATOM 1128 CD GLN A 69 79.403 -4.020 11.918 1.00 0.00 C ATOM 1129 OE1 GLN A 69 78.383 -3.364 11.859 1.00 0.00 O ATOM 1130 NE2 GLN A 69 79.380 -5.211 12.443 1.00 0.00 N ATOM 0 H GLN A 69 81.060 -1.024 10.826 1.00 0.00 H new ATOM 0 HA GLN A 69 83.352 -1.659 12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 69 82.036 -3.711 13.086 1.00 0.00 H new ATOM 0 HB3 GLN A 69 80.901 -2.386 13.253 1.00 0.00 H new ATOM 0 HG2 GLN A 69 80.526 -2.682 10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 69 81.278 -4.249 10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 69 80.236 -5.763 12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 69 78.506 -5.592 12.804 1.00 0.00 H new ATOM 1139 N ARG A 70 84.312 -3.357 11.039 1.00 0.00 N ATOM 1140 CA ARG A 70 85.015 -3.992 9.903 1.00 0.00 C ATOM 1141 C ARG A 70 84.003 -4.839 9.140 1.00 0.00 C ATOM 1142 O ARG A 70 83.277 -5.625 9.716 1.00 0.00 O ATOM 1143 CB ARG A 70 86.083 -4.850 10.562 1.00 0.00 C ATOM 1144 CG ARG A 70 87.061 -5.368 9.516 1.00 0.00 C ATOM 1145 CD ARG A 70 88.371 -5.720 10.215 1.00 0.00 C ATOM 1146 NE ARG A 70 89.097 -6.601 9.266 1.00 0.00 N ATOM 1147 CZ ARG A 70 89.882 -7.535 9.724 1.00 0.00 C ATOM 1148 NH1 ARG A 70 90.928 -7.213 10.438 1.00 0.00 N ATOM 1149 NH2 ARG A 70 89.616 -8.790 9.480 1.00 0.00 N ATOM 0 H ARG A 70 84.677 -3.578 11.965 1.00 0.00 H new ATOM 0 HA ARG A 70 85.457 -3.293 9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 70 86.617 -4.267 11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 70 85.618 -5.688 11.082 1.00 0.00 H new ATOM 0 HG2 ARG A 70 86.651 -6.245 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 70 87.231 -4.613 8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 70 88.949 -4.824 10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 70 88.188 -6.228 11.162 1.00 0.00 H new ATOM 0 HE ARG A 70 88.982 -6.476 8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 70 91.128 -6.233 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 70 91.544 -7.942 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 70 88.794 -9.040 8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 70 90.231 -9.521 9.839 1.00 0.00 H new ATOM 1163 N ILE A 71 83.907 -4.648 7.863 1.00 0.00 N ATOM 1164 CA ILE A 71 82.891 -5.405 7.084 1.00 0.00 C ATOM 1165 C ILE A 71 83.525 -6.285 6.003 1.00 0.00 C ATOM 1166 O ILE A 71 84.708 -6.213 5.730 1.00 0.00 O ATOM 1167 CB ILE A 71 82.079 -4.312 6.412 1.00 0.00 C ATOM 1168 CG1 ILE A 71 82.972 -3.560 5.423 1.00 0.00 C ATOM 1169 CG2 ILE A 71 81.575 -3.332 7.468 1.00 0.00 C ATOM 1170 CD1 ILE A 71 82.162 -3.286 4.162 1.00 0.00 C ATOM 0 H ILE A 71 84.484 -4.004 7.322 1.00 0.00 H new ATOM 0 HA ILE A 71 82.315 -6.074 7.723 1.00 0.00 H new ATOM 0 HB ILE A 71 81.233 -4.756 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 71 83.321 -2.625 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 71 83.857 -4.150 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 71 80.992 -2.547 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 71 80.948 -3.861 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 71 82.424 -2.887 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 71 82.780 -2.750 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 71 81.835 -4.231 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 71 81.291 -2.681 4.413 1.00 0.00 H new ATOM 1182 N ALA A 72 82.712 -7.076 5.355 1.00 0.00 N ATOM 1183 CA ALA A 72 83.197 -7.931 4.240 1.00 0.00 C ATOM 1184 C ALA A 72 82.581 -7.378 2.954 1.00 0.00 C ATOM 1185 O ALA A 72 81.825 -6.428 2.999 1.00 0.00 O ATOM 1186 CB ALA A 72 82.681 -9.340 4.542 1.00 0.00 C ATOM 0 H ALA A 72 81.716 -7.165 5.557 1.00 0.00 H new ATOM 0 HA ALA A 72 84.281 -7.948 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 72 83.004 -10.022 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 72 83.079 -9.676 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 72 81.592 -9.327 4.586 1.00 0.00 H new ATOM 1192 N ASP A 73 82.887 -7.921 1.815 1.00 0.00 N ATOM 1193 CA ASP A 73 82.304 -7.360 0.572 1.00 0.00 C ATOM 1194 C ASP A 73 81.369 -8.363 -0.108 1.00 0.00 C ATOM 1195 O ASP A 73 81.476 -8.622 -1.290 1.00 0.00 O ATOM 1196 CB ASP A 73 83.513 -7.020 -0.294 1.00 0.00 C ATOM 1197 CG ASP A 73 84.325 -8.284 -0.574 1.00 0.00 C ATOM 1198 OD1 ASP A 73 84.002 -9.313 -0.004 1.00 0.00 O ATOM 1199 OD2 ASP A 73 85.261 -8.200 -1.352 1.00 0.00 O ATOM 0 H ASP A 73 83.508 -8.720 1.690 1.00 0.00 H new ATOM 0 HA ASP A 73 81.683 -6.484 0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.185 -6.573 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 73 84.136 -6.281 0.210 1.00 0.00 H new ATOM 1204 N ASN A 74 80.445 -8.926 0.627 1.00 0.00 N ATOM 1205 CA ASN A 74 79.496 -9.893 0.006 1.00 0.00 C ATOM 1206 C ASN A 74 78.049 -9.593 0.428 1.00 0.00 C ATOM 1207 O ASN A 74 77.240 -10.491 0.546 1.00 0.00 O ATOM 1208 CB ASN A 74 79.915 -11.282 0.496 1.00 0.00 C ATOM 1209 CG ASN A 74 79.600 -11.435 1.987 1.00 0.00 C ATOM 1210 OD1 ASN A 74 78.485 -11.209 2.412 1.00 0.00 O ATOM 1211 ND2 ASN A 74 80.542 -11.826 2.800 1.00 0.00 N ATOM 0 H ASN A 74 80.308 -8.759 1.624 1.00 0.00 H new ATOM 0 HA ASN A 74 79.530 -9.825 -1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 74 79.392 -12.050 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 74 80.981 -11.429 0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 74 80.342 -11.942 3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 74 81.478 -12.016 2.442 1.00 0.00 H new ATOM 1218 N HIS A 75 77.705 -8.351 0.655 1.00 0.00 N ATOM 1219 CA HIS A 75 76.295 -8.041 1.060 1.00 0.00 C ATOM 1220 C HIS A 75 75.747 -6.856 0.268 1.00 0.00 C ATOM 1221 O HIS A 75 76.429 -5.878 0.039 1.00 0.00 O ATOM 1222 CB HIS A 75 76.369 -7.697 2.545 1.00 0.00 C ATOM 1223 CG HIS A 75 77.477 -6.720 2.771 1.00 0.00 C ATOM 1224 ND1 HIS A 75 77.251 -5.359 2.866 1.00 0.00 N ATOM 1225 CD2 HIS A 75 78.831 -6.889 2.897 1.00 0.00 C ATOM 1226 CE1 HIS A 75 78.443 -4.763 3.034 1.00 0.00 C ATOM 1227 NE2 HIS A 75 79.442 -5.650 3.062 1.00 0.00 N ATOM 0 H HIS A 75 78.327 -7.546 0.580 1.00 0.00 H new ATOM 0 HA HIS A 75 75.629 -8.881 0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 75 75.422 -7.274 2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 75 76.540 -8.600 3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 75 79.345 -7.838 2.872 1.00 0.00 H new ATOM 0 HE1 HIS A 75 78.578 -3.696 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 75 80.437 -5.460 3.179 1.00 0.00 H new ATOM 1235 N THR A 76 74.517 -6.940 -0.162 1.00 0.00 N ATOM 1236 CA THR A 76 73.940 -5.810 -0.950 1.00 0.00 C ATOM 1237 C THR A 76 72.847 -5.037 -0.190 1.00 0.00 C ATOM 1238 O THR A 76 72.863 -3.821 -0.192 1.00 0.00 O ATOM 1239 CB THR A 76 73.343 -6.426 -2.221 1.00 0.00 C ATOM 1240 OG1 THR A 76 74.323 -7.213 -2.880 1.00 0.00 O ATOM 1241 CG2 THR A 76 72.885 -5.295 -3.144 1.00 0.00 C ATOM 0 H THR A 76 73.892 -7.731 -0.005 1.00 0.00 H new ATOM 0 HA THR A 76 74.727 -5.086 -1.162 1.00 0.00 H new ATOM 0 HB THR A 76 72.496 -7.062 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 76 75.107 -6.660 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 76 72.458 -5.718 -4.053 1.00 0.00 H new ATOM 0 HG22 THR A 76 72.132 -4.693 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 76 73.738 -4.668 -3.402 1.00 0.00 H new ATOM 1249 N PRO A 77 71.896 -5.736 0.391 1.00 0.00 N ATOM 1250 CA PRO A 77 70.769 -5.055 1.073 1.00 0.00 C ATOM 1251 C PRO A 77 71.162 -4.469 2.434 1.00 0.00 C ATOM 1252 O PRO A 77 70.757 -3.379 2.781 1.00 0.00 O ATOM 1253 CB PRO A 77 69.765 -6.202 1.251 1.00 0.00 C ATOM 1254 CG PRO A 77 70.380 -7.482 0.655 1.00 0.00 C ATOM 1255 CD PRO A 77 71.867 -7.215 0.418 1.00 0.00 C ATOM 0 HA PRO A 77 70.394 -4.201 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 77 69.537 -6.347 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 77 68.825 -5.965 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 77 70.246 -8.323 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 77 69.885 -7.745 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 77 72.490 -7.624 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 77 72.219 -7.650 -0.517 1.00 0.00 H new ATOM 1263 N LYS A 78 71.902 -5.188 3.227 1.00 0.00 N ATOM 1264 CA LYS A 78 72.250 -4.656 4.583 1.00 0.00 C ATOM 1265 C LYS A 78 73.073 -3.354 4.540 1.00 0.00 C ATOM 1266 O LYS A 78 72.705 -2.383 5.167 1.00 0.00 O ATOM 1267 CB LYS A 78 73.046 -5.770 5.252 1.00 0.00 C ATOM 1268 CG LYS A 78 73.381 -5.360 6.688 1.00 0.00 C ATOM 1269 CD LYS A 78 74.363 -6.371 7.279 1.00 0.00 C ATOM 1270 CE LYS A 78 75.325 -5.666 8.242 1.00 0.00 C ATOM 1271 NZ LYS A 78 74.533 -5.430 9.479 1.00 0.00 N ATOM 0 H LYS A 78 72.279 -6.109 3.005 1.00 0.00 H new ATOM 0 HA LYS A 78 71.343 -4.391 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.470 -6.695 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 78 73.962 -5.964 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.816 -4.361 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.473 -5.321 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 78 73.818 -7.155 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 78 74.925 -6.855 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 78 76.200 -6.283 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 78 75.687 -4.728 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 74.545 -4.416 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 73.551 -5.738 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 74.948 -5.970 10.265 1.00 0.00 H new ATOM 1285 N GLU A 79 74.192 -3.308 3.856 1.00 0.00 N ATOM 1286 CA GLU A 79 74.988 -2.034 3.865 1.00 0.00 C ATOM 1287 C GLU A 79 75.109 -1.415 2.472 1.00 0.00 C ATOM 1288 O GLU A 79 75.720 -0.378 2.301 1.00 0.00 O ATOM 1289 CB GLU A 79 76.383 -2.420 4.377 1.00 0.00 C ATOM 1290 CG GLU A 79 76.284 -2.979 5.794 1.00 0.00 C ATOM 1291 CD GLU A 79 76.553 -4.479 5.743 1.00 0.00 C ATOM 1292 OE1 GLU A 79 75.813 -5.166 5.064 1.00 0.00 O ATOM 1293 OE2 GLU A 79 77.498 -4.915 6.377 1.00 0.00 O ATOM 0 H GLU A 79 74.582 -4.073 3.306 1.00 0.00 H new ATOM 0 HA GLU A 79 74.497 -1.289 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 79 76.830 -3.162 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.037 -1.548 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 79 77.005 -2.487 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 79 75.295 -2.786 6.209 1.00 0.00 H new ATOM 1300 N LEU A 80 74.568 -2.039 1.469 1.00 0.00 N ATOM 1301 CA LEU A 80 74.701 -1.473 0.099 1.00 0.00 C ATOM 1302 C LEU A 80 73.336 -1.090 -0.476 1.00 0.00 C ATOM 1303 O LEU A 80 73.168 -0.964 -1.672 1.00 0.00 O ATOM 1304 CB LEU A 80 75.355 -2.595 -0.700 1.00 0.00 C ATOM 1305 CG LEU A 80 76.857 -2.594 -0.429 1.00 0.00 C ATOM 1306 CD1 LEU A 80 77.098 -2.881 1.048 1.00 0.00 C ATOM 1307 CD2 LEU A 80 77.523 -3.688 -1.260 1.00 0.00 C ATOM 0 H LEU A 80 74.042 -2.911 1.535 1.00 0.00 H new ATOM 0 HA LEU A 80 75.287 -0.554 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 80 74.923 -3.556 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.165 -2.458 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 80 77.275 -1.623 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.169 -2.882 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 80 76.616 -2.112 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.681 -3.855 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 80 78.596 -3.689 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.105 -4.657 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 80 77.344 -3.500 -2.319 1.00 0.00 H new ATOM 1319 N GLY A 81 72.364 -0.890 0.370 1.00 0.00 N ATOM 1320 CA GLY A 81 71.010 -0.504 -0.119 1.00 0.00 C ATOM 1321 C GLY A 81 70.997 0.974 -0.543 1.00 0.00 C ATOM 1322 O GLY A 81 69.955 1.535 -0.816 1.00 0.00 O ATOM 0 H GLY A 81 72.449 -0.978 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.727 -1.134 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.271 -0.671 0.665 1.00 0.00 H new ATOM 1326 N MET A 82 72.141 1.613 -0.604 1.00 0.00 N ATOM 1327 CA MET A 82 72.176 3.050 -1.015 1.00 0.00 C ATOM 1328 C MET A 82 72.050 3.177 -2.535 1.00 0.00 C ATOM 1329 O MET A 82 72.382 2.273 -3.277 1.00 0.00 O ATOM 1330 CB MET A 82 73.542 3.572 -0.567 1.00 0.00 C ATOM 1331 CG MET A 82 73.656 3.484 0.952 1.00 0.00 C ATOM 1332 SD MET A 82 72.328 4.439 1.718 1.00 0.00 S ATOM 1333 CE MET A 82 72.746 4.015 3.424 1.00 0.00 C ATOM 0 H MET A 82 73.049 1.202 -0.387 1.00 0.00 H new ATOM 0 HA MET A 82 71.354 3.611 -0.571 1.00 0.00 H new ATOM 0 HB2 MET A 82 74.336 2.989 -1.035 1.00 0.00 H new ATOM 0 HB3 MET A 82 73.671 4.605 -0.891 1.00 0.00 H new ATOM 0 HG2 MET A 82 73.599 2.443 1.271 1.00 0.00 H new ATOM 0 HG3 MET A 82 74.625 3.865 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 82 72.045 4.502 4.102 1.00 0.00 H new ATOM 0 HE2 MET A 82 72.687 2.935 3.555 1.00 0.00 H new ATOM 0 HE3 MET A 82 73.759 4.353 3.645 1.00 0.00 H new ATOM 1343 N GLU A 83 71.590 4.306 -2.995 1.00 0.00 N ATOM 1344 CA GLU A 83 71.450 4.535 -4.462 1.00 0.00 C ATOM 1345 C GLU A 83 72.492 5.562 -4.913 1.00 0.00 C ATOM 1346 O GLU A 83 73.014 5.496 -6.009 1.00 0.00 O ATOM 1347 CB GLU A 83 70.039 5.098 -4.653 1.00 0.00 C ATOM 1348 CG GLU A 83 69.901 6.406 -3.864 1.00 0.00 C ATOM 1349 CD GLU A 83 68.492 6.975 -4.043 1.00 0.00 C ATOM 1350 OE1 GLU A 83 67.916 6.759 -5.096 1.00 0.00 O ATOM 1351 OE2 GLU A 83 68.015 7.619 -3.124 1.00 0.00 O ATOM 0 H GLU A 83 71.301 5.090 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 83 71.601 3.625 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.847 5.277 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.298 4.375 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 83 70.099 6.226 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 83 70.641 7.129 -4.208 1.00 0.00 H new ATOM 1358 N GLU A 84 72.792 6.515 -4.061 1.00 0.00 N ATOM 1359 CA GLU A 84 73.803 7.561 -4.413 1.00 0.00 C ATOM 1360 C GLU A 84 74.632 7.981 -3.195 1.00 0.00 C ATOM 1361 O GLU A 84 75.353 8.953 -3.253 1.00 0.00 O ATOM 1362 CB GLU A 84 73.015 8.756 -4.956 1.00 0.00 C ATOM 1363 CG GLU A 84 72.497 8.426 -6.359 1.00 0.00 C ATOM 1364 CD GLU A 84 72.012 9.709 -7.047 1.00 0.00 C ATOM 1365 OE1 GLU A 84 72.466 10.777 -6.662 1.00 0.00 O ATOM 1366 OE2 GLU A 84 71.198 9.605 -7.950 1.00 0.00 O ATOM 0 H GLU A 84 72.378 6.612 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 84 74.509 7.174 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 84 72.181 8.988 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 84 73.651 9.641 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 84 73.287 7.962 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.682 7.705 -6.296 1.00 0.00 H new ATOM 1373 N GLU A 85 74.560 7.274 -2.102 1.00 0.00 N ATOM 1374 CA GLU A 85 75.388 7.677 -0.928 1.00 0.00 C ATOM 1375 C GLU A 85 75.956 6.446 -0.229 1.00 0.00 C ATOM 1376 O GLU A 85 75.232 5.612 0.273 1.00 0.00 O ATOM 1377 CB GLU A 85 74.464 8.456 0.009 1.00 0.00 C ATOM 1378 CG GLU A 85 74.060 9.777 -0.650 1.00 0.00 C ATOM 1379 CD GLU A 85 75.313 10.574 -1.033 1.00 0.00 C ATOM 1380 OE1 GLU A 85 76.385 10.227 -0.563 1.00 0.00 O ATOM 1381 OE2 GLU A 85 75.177 11.521 -1.790 1.00 0.00 O ATOM 0 H GLU A 85 73.975 6.449 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 85 76.236 8.289 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.577 7.865 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 85 74.969 8.649 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 85 73.457 9.582 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 85 73.442 10.360 0.033 1.00 0.00 H new ATOM 1388 N ASP A 86 77.252 6.341 -0.192 1.00 0.00 N ATOM 1389 CA ASP A 86 77.909 5.183 0.475 1.00 0.00 C ATOM 1390 C ASP A 86 79.143 5.678 1.236 1.00 0.00 C ATOM 1391 O ASP A 86 79.911 6.463 0.719 1.00 0.00 O ATOM 1392 CB ASP A 86 78.321 4.260 -0.666 1.00 0.00 C ATOM 1393 CG ASP A 86 78.789 2.932 -0.080 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.517 2.964 0.899 1.00 0.00 O ATOM 1395 OD2 ASP A 86 78.415 1.904 -0.619 1.00 0.00 O ATOM 0 H ASP A 86 77.895 7.018 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 86 77.260 4.677 1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 86 77.482 4.099 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 86 79.119 4.717 -1.251 1.00 0.00 H new ATOM 1400 N VAL A 87 79.349 5.253 2.455 1.00 0.00 N ATOM 1401 CA VAL A 87 80.547 5.756 3.195 1.00 0.00 C ATOM 1402 C VAL A 87 81.416 4.625 3.736 1.00 0.00 C ATOM 1403 O VAL A 87 80.944 3.694 4.360 1.00 0.00 O ATOM 1404 CB VAL A 87 79.998 6.566 4.360 1.00 0.00 C ATOM 1405 CG1 VAL A 87 79.243 5.634 5.309 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.165 7.209 5.113 1.00 0.00 C ATOM 0 H VAL A 87 78.756 4.595 2.962 1.00 0.00 H new ATOM 0 HA VAL A 87 81.180 6.339 2.526 1.00 0.00 H new ATOM 0 HB VAL A 87 79.324 7.338 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 87 78.847 6.210 6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 87 78.421 5.159 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 87 79.922 4.868 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 87 80.781 7.792 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 87 81.829 6.430 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 87 81.717 7.863 4.438 1.00 0.00 H new ATOM 1416 N ILE A 88 82.694 4.727 3.525 1.00 0.00 N ATOM 1417 CA ILE A 88 83.623 3.697 4.043 1.00 0.00 C ATOM 1418 C ILE A 88 84.832 4.352 4.712 1.00 0.00 C ATOM 1419 O ILE A 88 85.376 5.317 4.219 1.00 0.00 O ATOM 1420 CB ILE A 88 84.105 2.931 2.823 1.00 0.00 C ATOM 1421 CG1 ILE A 88 82.967 2.139 2.211 1.00 0.00 C ATOM 1422 CG2 ILE A 88 85.175 1.946 3.278 1.00 0.00 C ATOM 1423 CD1 ILE A 88 82.693 2.601 0.779 1.00 0.00 C ATOM 0 H ILE A 88 83.137 5.488 3.011 1.00 0.00 H new ATOM 0 HA ILE A 88 83.130 3.061 4.778 1.00 0.00 H new ATOM 0 HB ILE A 88 84.492 3.634 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 88 83.214 1.077 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 88 82.068 2.259 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 88 85.539 1.382 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 88 86.003 2.492 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 88 84.750 1.259 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 88 81.872 2.019 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 88 82.424 3.657 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 88 83.587 2.457 0.173 1.00 0.00 H new ATOM 1435 N GLU A 89 85.298 3.804 5.791 1.00 0.00 N ATOM 1436 CA GLU A 89 86.515 4.363 6.428 1.00 0.00 C ATOM 1437 C GLU A 89 87.580 3.282 6.349 1.00 0.00 C ATOM 1438 O GLU A 89 87.342 2.152 6.723 1.00 0.00 O ATOM 1439 CB GLU A 89 86.144 4.652 7.881 1.00 0.00 C ATOM 1440 CG GLU A 89 85.114 5.777 7.937 1.00 0.00 C ATOM 1441 CD GLU A 89 84.985 6.263 9.379 1.00 0.00 C ATOM 1442 OE1 GLU A 89 85.620 5.671 10.236 1.00 0.00 O ATOM 1443 OE2 GLU A 89 84.259 7.217 9.603 1.00 0.00 O ATOM 0 H GLU A 89 84.891 2.995 6.260 1.00 0.00 H new ATOM 0 HA GLU A 89 86.882 5.273 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 89 85.741 3.754 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 89 87.034 4.933 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 89 85.419 6.599 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 89 84.150 5.423 7.571 1.00 0.00 H new ATOM 1450 N VAL A 90 88.736 3.580 5.846 1.00 0.00 N ATOM 1451 CA VAL A 90 89.756 2.504 5.742 1.00 0.00 C ATOM 1452 C VAL A 90 90.942 2.795 6.617 1.00 0.00 C ATOM 1453 O VAL A 90 91.358 3.921 6.783 1.00 0.00 O ATOM 1454 CB VAL A 90 90.228 2.437 4.288 1.00 0.00 C ATOM 1455 CG1 VAL A 90 89.827 1.100 3.692 1.00 0.00 C ATOM 1456 CG2 VAL A 90 89.611 3.551 3.459 1.00 0.00 C ATOM 0 H VAL A 90 89.019 4.500 5.508 1.00 0.00 H new ATOM 0 HA VAL A 90 89.312 1.562 6.063 1.00 0.00 H new ATOM 0 HB VAL A 90 91.312 2.552 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 90 90.162 1.048 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 90 90.288 0.294 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 90 88.743 0.996 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 90 89.965 3.478 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 90 88.525 3.459 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 90 89.900 4.516 3.874 1.00 0.00 H new ATOM 1466 N TYR A 91 91.512 1.774 7.149 1.00 0.00 N ATOM 1467 CA TYR A 91 92.702 1.962 7.991 1.00 0.00 C ATOM 1468 C TYR A 91 93.909 1.404 7.251 1.00 0.00 C ATOM 1469 O TYR A 91 93.993 0.220 6.977 1.00 0.00 O ATOM 1470 CB TYR A 91 92.385 1.172 9.251 1.00 0.00 C ATOM 1471 CG TYR A 91 91.193 1.813 9.916 1.00 0.00 C ATOM 1472 CD1 TYR A 91 89.907 1.589 9.410 1.00 0.00 C ATOM 1473 CD2 TYR A 91 91.372 2.648 11.025 1.00 0.00 C ATOM 1474 CE1 TYR A 91 88.800 2.196 10.014 1.00 0.00 C ATOM 1475 CE2 TYR A 91 90.264 3.255 11.629 1.00 0.00 C ATOM 1476 CZ TYR A 91 88.979 3.029 11.125 1.00 0.00 C ATOM 1477 OH TYR A 91 87.889 3.626 11.724 1.00 0.00 O ATOM 0 H TYR A 91 91.204 0.808 7.037 1.00 0.00 H new ATOM 0 HA TYR A 91 92.932 3.001 8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 91 92.170 0.132 9.005 1.00 0.00 H new ATOM 0 HB3 TYR A 91 93.242 1.170 9.925 1.00 0.00 H new ATOM 0 HD1 TYR A 91 89.769 0.947 8.553 1.00 0.00 H new ATOM 0 HD2 TYR A 91 92.364 2.824 11.415 1.00 0.00 H new ATOM 0 HE1 TYR A 91 87.808 2.022 9.623 1.00 0.00 H new ATOM 0 HE2 TYR A 91 90.402 3.899 12.485 1.00 0.00 H new ATOM 0 HH TYR A 91 88.189 4.170 12.481 1.00 0.00 H new ATOM 1487 N GLN A 92 94.826 2.253 6.901 1.00 0.00 N ATOM 1488 CA GLN A 92 96.018 1.784 6.156 1.00 0.00 C ATOM 1489 C GLN A 92 97.241 1.825 7.064 1.00 0.00 C ATOM 1490 O GLN A 92 97.392 2.707 7.885 1.00 0.00 O ATOM 1491 CB GLN A 92 96.163 2.764 4.999 1.00 0.00 C ATOM 1492 CG GLN A 92 94.868 2.768 4.189 1.00 0.00 C ATOM 1493 CD GLN A 92 95.057 3.591 2.914 1.00 0.00 C ATOM 1494 OE1 GLN A 92 96.170 3.802 2.470 1.00 0.00 O ATOM 1495 NE2 GLN A 92 94.009 4.066 2.300 1.00 0.00 N ATOM 0 H GLN A 92 94.802 3.253 7.099 1.00 0.00 H new ATOM 0 HA GLN A 92 95.921 0.757 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.375 3.764 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 92 97.003 2.478 4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.584 1.747 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.057 3.185 4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 92 93.076 3.889 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 92 94.122 4.614 1.447 1.00 0.00 H new