USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 SER OG : rot 180:sc= 0.00533 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 162:sc= -0.563! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 42 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 44 THR OG1 : rot -67:sc= 0.378 USER MOD Single : A 49 SER OG : rot -60:sc= -0.342! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 165:sc= -0.796 (180deg=-1.35) USER MOD Single : A 63 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.03) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00612) USER MOD Single : A 65 GLN : amide:sc= -0.995 K(o=-1,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.312) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 78:sc= -0.911 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.574 2.643 5.913 1.00 0.00 N ATOM 307 CA PRO A 21 -4.459 3.706 5.428 1.00 0.00 C ATOM 308 C PRO A 21 -5.060 4.525 6.566 1.00 0.00 C ATOM 309 O PRO A 21 -5.271 4.015 7.666 1.00 0.00 O ATOM 310 CB PRO A 21 -5.556 2.943 4.682 1.00 0.00 C ATOM 311 CG PRO A 21 -5.571 1.592 5.309 1.00 0.00 C ATOM 312 CD PRO A 21 -4.149 1.303 5.706 1.00 0.00 C ATOM 0 HA PRO A 21 -3.926 4.428 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.522 3.438 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.340 2.882 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.230 1.572 6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.941 0.842 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.099 0.700 6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.618 0.754 4.928 1.00 0.00 H new ATOM 320 N VAL A 22 -5.334 5.797 6.293 1.00 0.00 N ATOM 321 CA VAL A 22 -5.912 6.686 7.294 1.00 0.00 C ATOM 322 C VAL A 22 -7.432 6.573 7.316 1.00 0.00 C ATOM 323 O VAL A 22 -8.037 6.012 6.402 1.00 0.00 O ATOM 324 CB VAL A 22 -5.521 8.153 7.035 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.022 8.274 6.807 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.295 8.708 5.849 1.00 0.00 C ATOM 0 H VAL A 22 -5.165 6.235 5.387 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.513 6.377 8.260 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.779 8.741 7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.765 9.318 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.490 7.917 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.736 7.674 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.007 9.745 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.070 8.119 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.364 8.658 6.056 1.00 0.00 H new ATOM 336 N SER A 23 -8.045 7.110 8.367 1.00 0.00 N ATOM 337 CA SER A 23 -9.495 7.067 8.510 1.00 0.00 C ATOM 338 C SER A 23 -10.179 7.742 7.325 1.00 0.00 C ATOM 339 O SER A 23 -9.519 8.313 6.457 1.00 0.00 O ATOM 340 CB SER A 23 -9.920 7.746 9.814 1.00 0.00 C ATOM 341 OG SER A 23 -11.215 7.328 10.208 1.00 0.00 O ATOM 0 H SER A 23 -7.560 7.580 9.131 1.00 0.00 H new ATOM 0 HA SER A 23 -9.802 6.021 8.536 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.203 7.510 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.907 8.828 9.685 1.00 0.00 H new ATOM 0 HG SER A 23 -11.463 7.775 11.044 1.00 0.00 H new ATOM 347 N ALA A 24 -11.505 7.672 7.297 1.00 0.00 N ATOM 348 CA ALA A 24 -12.280 8.278 6.221 1.00 0.00 C ATOM 349 C ALA A 24 -12.018 9.778 6.134 1.00 0.00 C ATOM 350 O ALA A 24 -11.622 10.289 5.086 1.00 0.00 O ATOM 351 CB ALA A 24 -13.764 8.010 6.423 1.00 0.00 C ATOM 0 H ALA A 24 -12.066 7.202 8.007 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.966 7.825 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.330 8.468 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.942 6.935 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.084 8.435 7.374 1.00 0.00 H new ATOM 357 N TYR A 25 -12.244 10.478 7.240 1.00 0.00 N ATOM 358 CA TYR A 25 -12.035 11.920 7.287 1.00 0.00 C ATOM 359 C TYR A 25 -10.567 12.266 7.062 1.00 0.00 C ATOM 360 O TYR A 25 -10.235 13.381 6.658 1.00 0.00 O ATOM 361 CB TYR A 25 -12.503 12.480 8.631 1.00 0.00 C ATOM 362 CG TYR A 25 -11.853 13.796 8.998 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.916 14.887 8.141 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.177 13.946 10.202 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.323 16.090 8.472 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.582 15.146 10.542 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.658 16.215 9.673 1.00 0.00 C ATOM 368 OH TYR A 25 -10.067 17.412 10.007 1.00 0.00 O ATOM 0 H TYR A 25 -12.572 10.070 8.116 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.622 12.373 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.584 12.614 8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.293 11.750 9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.437 14.793 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.115 13.111 10.884 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.380 16.928 7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.061 15.246 11.482 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.641 17.333 10.886 1.00 0.00 H new ATOM 378 N ALA A 26 -9.691 11.302 7.325 1.00 0.00 N ATOM 379 CA ALA A 26 -8.258 11.502 7.149 1.00 0.00 C ATOM 380 C ALA A 26 -7.867 11.407 5.678 1.00 0.00 C ATOM 381 O ALA A 26 -7.004 12.147 5.205 1.00 0.00 O ATOM 382 CB ALA A 26 -7.479 10.486 7.971 1.00 0.00 C ATOM 0 H ALA A 26 -9.949 10.374 7.661 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.010 12.504 7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.410 10.647 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.728 10.604 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.740 9.479 7.647 1.00 0.00 H new ATOM 388 N LEU A 27 -8.507 10.491 4.959 1.00 0.00 N ATOM 389 CA LEU A 27 -8.226 10.299 3.540 1.00 0.00 C ATOM 390 C LEU A 27 -8.386 11.606 2.771 1.00 0.00 C ATOM 391 O LEU A 27 -7.725 11.827 1.756 1.00 0.00 O ATOM 392 CB LEU A 27 -9.154 9.233 2.956 1.00 0.00 C ATOM 393 CG LEU A 27 -8.538 7.849 2.744 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.580 6.762 2.960 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.933 7.742 1.352 1.00 0.00 C ATOM 0 H LEU A 27 -9.224 9.870 5.335 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.193 9.966 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.015 9.128 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.529 9.592 1.998 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.742 7.711 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.124 5.784 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.966 6.825 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.398 6.897 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.499 6.751 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.710 7.902 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.156 8.497 1.234 1.00 0.00 H new ATOM 407 N PHE A 28 -9.267 12.471 3.262 1.00 0.00 N ATOM 408 CA PHE A 28 -9.514 13.758 2.621 1.00 0.00 C ATOM 409 C PHE A 28 -8.555 14.821 3.149 1.00 0.00 C ATOM 410 O PHE A 28 -8.374 15.871 2.533 1.00 0.00 O ATOM 411 CB PHE A 28 -10.961 14.198 2.854 1.00 0.00 C ATOM 412 CG PHE A 28 -11.202 15.649 2.550 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.263 16.095 1.239 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.367 16.567 3.574 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.484 17.430 0.957 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.589 17.903 3.298 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.648 18.335 1.988 1.00 0.00 C ATOM 0 H PHE A 28 -9.822 12.305 4.102 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.345 13.642 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.621 13.591 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.229 14.003 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.136 15.392 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.322 16.235 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.528 17.765 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.716 18.608 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.822 19.378 1.770 1.00 0.00 H new ATOM 427 N PHE A 29 -7.944 14.541 4.296 1.00 0.00 N ATOM 428 CA PHE A 29 -7.005 15.473 4.909 1.00 0.00 C ATOM 429 C PHE A 29 -5.650 15.420 4.208 1.00 0.00 C ATOM 430 O PHE A 29 -4.948 16.427 4.115 1.00 0.00 O ATOM 431 CB PHE A 29 -6.835 15.154 6.396 1.00 0.00 C ATOM 432 CG PHE A 29 -5.865 16.062 7.097 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.500 15.905 6.924 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.320 17.073 7.928 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.605 16.739 7.567 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.430 17.911 8.573 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.070 17.743 8.394 1.00 0.00 C ATOM 0 H PHE A 29 -8.082 13.676 4.819 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.410 16.480 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.805 15.223 6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.497 14.123 6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.131 15.122 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.382 17.208 8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.543 16.606 7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.797 18.697 9.217 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.373 18.395 8.899 1.00 0.00 H new ATOM 447 N ARG A 30 -5.290 14.239 3.717 1.00 0.00 N ATOM 448 CA ARG A 30 -4.020 14.053 3.027 1.00 0.00 C ATOM 449 C ARG A 30 -4.111 14.537 1.582 1.00 0.00 C ATOM 450 O ARG A 30 -3.093 14.783 0.934 1.00 0.00 O ATOM 451 CB ARG A 30 -3.608 12.580 3.057 1.00 0.00 C ATOM 452 CG ARG A 30 -4.640 11.647 2.444 1.00 0.00 C ATOM 453 CD ARG A 30 -3.984 10.426 1.818 1.00 0.00 C ATOM 454 NE ARG A 30 -3.073 10.789 0.736 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.449 9.900 -0.029 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.637 8.603 0.169 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.635 10.309 -0.994 1.00 0.00 N ATOM 0 H ARG A 30 -5.861 13.396 3.784 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.265 14.644 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.664 12.464 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.429 12.282 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.346 11.329 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.212 12.183 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.437 9.876 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.754 9.757 1.434 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.907 11.779 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.262 8.286 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.157 7.922 -0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.488 11.306 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.156 9.626 -1.581 1.00 0.00 H new ATOM 471 N ASP A 31 -5.335 14.672 1.085 1.00 0.00 N ATOM 472 CA ASP A 31 -5.559 15.127 -0.282 1.00 0.00 C ATOM 473 C ASP A 31 -5.770 16.637 -0.325 1.00 0.00 C ATOM 474 O ASP A 31 -5.408 17.299 -1.298 1.00 0.00 O ATOM 475 CB ASP A 31 -6.768 14.413 -0.888 1.00 0.00 C ATOM 476 CG ASP A 31 -6.424 13.673 -2.165 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.238 13.327 -2.350 1.00 0.00 O ATOM 478 OD2 ASP A 31 -7.341 13.438 -2.980 1.00 0.00 O ATOM 0 H ASP A 31 -6.188 14.473 1.608 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.673 14.886 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.172 13.708 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.551 15.143 -1.094 1.00 0.00 H new ATOM 483 N THR A 32 -6.359 17.177 0.738 1.00 0.00 N ATOM 484 CA THR A 32 -6.620 18.609 0.821 1.00 0.00 C ATOM 485 C THR A 32 -5.415 19.356 1.381 1.00 0.00 C ATOM 486 O THR A 32 -4.938 20.319 0.783 1.00 0.00 O ATOM 487 CB THR A 32 -7.849 18.905 1.702 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.005 18.251 1.166 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.102 20.402 1.791 1.00 0.00 C ATOM 0 H THR A 32 -6.664 16.644 1.553 1.00 0.00 H new ATOM 0 HA THR A 32 -6.818 18.954 -0.194 1.00 0.00 H new ATOM 0 HB THR A 32 -7.650 18.526 2.704 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.699 18.195 1.856 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.974 20.587 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.232 20.893 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.282 20.801 0.793 1.00 0.00 H new ATOM 497 N GLN A 33 -4.928 18.904 2.533 1.00 0.00 N ATOM 498 CA GLN A 33 -3.778 19.532 3.173 1.00 0.00 C ATOM 499 C GLN A 33 -2.791 20.051 2.132 1.00 0.00 C ATOM 500 O GLN A 33 -2.478 21.240 2.099 1.00 0.00 O ATOM 501 CB GLN A 33 -3.080 18.537 4.103 1.00 0.00 C ATOM 502 CG GLN A 33 -1.759 19.046 4.657 1.00 0.00 C ATOM 503 CD GLN A 33 -0.680 17.982 4.662 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.514 17.254 5.641 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.062 17.886 3.565 1.00 0.00 N ATOM 0 H GLN A 33 -5.311 18.107 3.041 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.137 20.378 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.745 18.300 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.903 17.608 3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.423 19.896 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.911 19.409 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.110 18.510 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.804 17.188 3.511 1.00 0.00 H new ATOM 514 N ALA A 34 -2.304 19.150 1.285 1.00 0.00 N ATOM 515 CA ALA A 34 -1.354 19.518 0.242 1.00 0.00 C ATOM 516 C ALA A 34 -1.784 20.799 -0.465 1.00 0.00 C ATOM 517 O ALA A 34 -0.984 21.716 -0.648 1.00 0.00 O ATOM 518 CB ALA A 34 -1.206 18.383 -0.761 1.00 0.00 C ATOM 0 H ALA A 34 -2.551 18.161 1.301 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.388 19.701 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.494 18.671 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.845 17.490 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.173 18.173 -1.218 1.00 0.00 H new ATOM 524 N ALA A 35 -3.051 20.854 -0.861 1.00 0.00 N ATOM 525 CA ALA A 35 -3.587 22.024 -1.547 1.00 0.00 C ATOM 526 C ALA A 35 -3.523 23.260 -0.656 1.00 0.00 C ATOM 527 O ALA A 35 -3.352 24.378 -1.143 1.00 0.00 O ATOM 528 CB ALA A 35 -5.019 21.765 -1.991 1.00 0.00 C ATOM 0 H ALA A 35 -3.726 20.102 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.973 22.211 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.407 22.647 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.041 20.913 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.637 21.550 -1.119 1.00 0.00 H new ATOM 534 N ILE A 36 -3.660 23.051 0.649 1.00 0.00 N ATOM 535 CA ILE A 36 -3.617 24.149 1.606 1.00 0.00 C ATOM 536 C ILE A 36 -2.184 24.607 1.853 1.00 0.00 C ATOM 537 O ILE A 36 -1.938 25.771 2.171 1.00 0.00 O ATOM 538 CB ILE A 36 -4.255 23.750 2.950 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.555 22.979 2.713 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.513 24.985 3.801 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.655 23.821 2.104 1.00 0.00 C ATOM 0 H ILE A 36 -3.802 22.132 1.067 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.188 24.969 1.171 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.562 23.101 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.351 22.132 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.904 22.571 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.964 24.687 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.570 25.498 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.190 25.656 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.546 23.209 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.887 24.653 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.326 24.208 1.140 1.00 0.00 H new ATOM 553 N LYS A 37 -1.240 23.684 1.703 1.00 0.00 N ATOM 554 CA LYS A 37 0.171 23.992 1.906 1.00 0.00 C ATOM 555 C LYS A 37 0.694 24.903 0.800 1.00 0.00 C ATOM 556 O LYS A 37 1.051 26.054 1.047 1.00 0.00 O ATOM 557 CB LYS A 37 0.994 22.703 1.952 1.00 0.00 C ATOM 558 CG LYS A 37 2.403 22.861 1.407 1.00 0.00 C ATOM 559 CD LYS A 37 3.061 24.131 1.923 1.00 0.00 C ATOM 560 CE LYS A 37 4.475 23.865 2.416 1.00 0.00 C ATOM 561 NZ LYS A 37 5.483 24.052 1.336 1.00 0.00 N ATOM 0 H LYS A 37 -1.427 22.716 1.441 1.00 0.00 H new ATOM 0 HA LYS A 37 0.270 24.513 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.049 22.354 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.477 21.931 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.003 21.997 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.373 22.882 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.086 24.878 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.464 24.548 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.703 24.535 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.540 22.847 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.434 23.861 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.281 23.395 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.439 25.030 0.986 1.00 0.00 H new ATOM 575 N GLY A 38 0.736 24.379 -0.422 1.00 0.00 N ATOM 576 CA GLY A 38 1.215 25.159 -1.547 1.00 0.00 C ATOM 577 C GLY A 38 0.620 26.553 -1.582 1.00 0.00 C ATOM 578 O GLY A 38 1.161 27.449 -2.230 1.00 0.00 O ATOM 0 H GLY A 38 0.447 23.428 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.301 25.232 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.972 24.640 -2.474 1.00 0.00 H new ATOM 582 N GLN A 39 -0.497 26.735 -0.885 1.00 0.00 N ATOM 583 CA GLN A 39 -1.166 28.030 -0.842 1.00 0.00 C ATOM 584 C GLN A 39 -0.751 28.816 0.397 1.00 0.00 C ATOM 585 O GLN A 39 -0.693 30.045 0.374 1.00 0.00 O ATOM 586 CB GLN A 39 -2.685 27.843 -0.857 1.00 0.00 C ATOM 587 CG GLN A 39 -3.260 27.655 -2.252 1.00 0.00 C ATOM 588 CD GLN A 39 -4.724 28.042 -2.336 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.064 29.225 -2.374 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.599 27.044 -2.366 1.00 0.00 N ATOM 0 H GLN A 39 -0.957 26.003 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.867 28.595 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.942 26.977 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.154 28.711 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.688 28.254 -2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.146 26.613 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.272 26.078 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.598 27.243 -2.423 1.00 0.00 H new ATOM 599 N ASN A 40 -0.465 28.099 1.479 1.00 0.00 N ATOM 600 CA ASN A 40 -0.056 28.730 2.728 1.00 0.00 C ATOM 601 C ASN A 40 1.034 27.915 3.418 1.00 0.00 C ATOM 602 O ASN A 40 0.779 27.157 4.354 1.00 0.00 O ATOM 603 CB ASN A 40 -1.259 28.887 3.662 1.00 0.00 C ATOM 604 CG ASN A 40 -2.567 29.008 2.904 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.772 29.957 2.147 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.459 28.046 3.106 1.00 0.00 N ATOM 0 H ASN A 40 -0.509 27.081 1.516 1.00 0.00 H new ATOM 0 HA ASN A 40 0.345 29.716 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.309 28.029 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.120 29.771 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.358 28.074 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.246 27.278 3.743 1.00 0.00 H new ATOM 613 N PRO A 41 2.279 28.074 2.946 1.00 0.00 N ATOM 614 CA PRO A 41 3.434 27.363 3.503 1.00 0.00 C ATOM 615 C PRO A 41 3.796 27.852 4.902 1.00 0.00 C ATOM 616 O PRO A 41 4.232 27.072 5.748 1.00 0.00 O ATOM 617 CB PRO A 41 4.559 27.685 2.517 1.00 0.00 C ATOM 618 CG PRO A 41 4.159 28.979 1.895 1.00 0.00 C ATOM 619 CD PRO A 41 2.656 28.961 1.833 1.00 0.00 C ATOM 0 HA PRO A 41 3.240 26.296 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.519 27.770 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.665 26.901 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.515 29.823 2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.590 29.083 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.237 29.960 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.298 28.580 0.877 1.00 0.00 H new ATOM 627 N ASN A 42 3.612 29.147 5.137 1.00 0.00 N ATOM 628 CA ASN A 42 3.920 29.739 6.434 1.00 0.00 C ATOM 629 C ASN A 42 3.139 29.047 7.547 1.00 0.00 C ATOM 630 O ASN A 42 3.599 28.967 8.686 1.00 0.00 O ATOM 631 CB ASN A 42 3.599 31.235 6.424 1.00 0.00 C ATOM 632 CG ASN A 42 4.005 31.922 7.713 1.00 0.00 C ATOM 633 OD1 ASN A 42 5.154 32.336 7.874 1.00 0.00 O ATOM 634 ND2 ASN A 42 3.062 32.046 8.640 1.00 0.00 N ATOM 0 H ASN A 42 3.252 29.806 4.447 1.00 0.00 H new ATOM 0 HA ASN A 42 4.985 29.604 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.111 31.708 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.530 31.373 6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.277 32.499 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.123 31.688 8.464 1.00 0.00 H new ATOM 641 N ALA A 43 1.954 28.548 7.209 1.00 0.00 N ATOM 642 CA ALA A 43 1.110 27.861 8.179 1.00 0.00 C ATOM 643 C ALA A 43 1.918 26.863 9.000 1.00 0.00 C ATOM 644 O ALA A 43 2.956 26.370 8.554 1.00 0.00 O ATOM 645 CB ALA A 43 -0.040 27.158 7.473 1.00 0.00 C ATOM 0 H ALA A 43 1.557 28.607 6.271 1.00 0.00 H new ATOM 0 HA ALA A 43 0.702 28.607 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.662 26.649 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.640 27.892 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.358 26.428 6.768 1.00 0.00 H new ATOM 651 N THR A 44 1.438 26.567 10.204 1.00 0.00 N ATOM 652 CA THR A 44 2.117 25.629 11.089 1.00 0.00 C ATOM 653 C THR A 44 1.189 24.491 11.500 1.00 0.00 C ATOM 654 O THR A 44 0.758 24.413 12.651 1.00 0.00 O ATOM 655 CB THR A 44 2.642 26.331 12.355 1.00 0.00 C ATOM 656 OG1 THR A 44 3.205 25.366 13.252 1.00 0.00 O ATOM 657 CG2 THR A 44 1.526 27.090 13.056 1.00 0.00 C ATOM 0 H THR A 44 0.581 26.964 10.589 1.00 0.00 H new ATOM 0 HA THR A 44 2.961 25.223 10.532 1.00 0.00 H new ATOM 0 HB THR A 44 3.412 27.043 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.494 24.788 13.599 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.921 27.577 13.947 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.118 27.843 12.381 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.737 26.395 13.343 1.00 0.00 H new ATOM 665 N PHE A 45 0.886 23.610 10.553 1.00 0.00 N ATOM 666 CA PHE A 45 0.009 22.475 10.817 1.00 0.00 C ATOM 667 C PHE A 45 -1.363 22.947 11.290 1.00 0.00 C ATOM 668 O PHE A 45 -2.320 22.983 10.518 1.00 0.00 O ATOM 669 CB PHE A 45 0.633 21.554 11.866 1.00 0.00 C ATOM 670 CG PHE A 45 1.543 20.510 11.283 1.00 0.00 C ATOM 671 CD1 PHE A 45 1.079 19.629 10.319 1.00 0.00 C ATOM 672 CD2 PHE A 45 2.860 20.410 11.699 1.00 0.00 C ATOM 673 CE1 PHE A 45 1.913 18.668 9.779 1.00 0.00 C ATOM 674 CE2 PHE A 45 3.699 19.451 11.163 1.00 0.00 C ATOM 675 CZ PHE A 45 3.225 18.578 10.203 1.00 0.00 C ATOM 0 H PHE A 45 1.235 23.660 9.596 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.117 21.921 9.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.195 22.157 12.579 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.163 21.060 12.424 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.054 19.694 9.986 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.236 21.089 12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.540 17.989 9.027 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.725 19.384 11.495 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.879 17.827 9.785 1.00 0.00 H new ATOM 685 N GLY A 46 -1.450 23.308 12.567 1.00 0.00 N ATOM 686 CA GLY A 46 -2.708 23.772 13.122 1.00 0.00 C ATOM 687 C GLY A 46 -3.516 24.583 12.129 1.00 0.00 C ATOM 688 O GLY A 46 -4.735 24.437 12.045 1.00 0.00 O ATOM 0 H GLY A 46 -0.672 23.287 13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.296 22.914 13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.510 24.378 14.006 1.00 0.00 H new ATOM 692 N GLU A 47 -2.836 25.443 11.376 1.00 0.00 N ATOM 693 CA GLU A 47 -3.500 26.282 10.386 1.00 0.00 C ATOM 694 C GLU A 47 -4.014 25.443 9.219 1.00 0.00 C ATOM 695 O GLU A 47 -5.212 25.422 8.934 1.00 0.00 O ATOM 696 CB GLU A 47 -2.542 27.358 9.872 1.00 0.00 C ATOM 697 CG GLU A 47 -2.886 28.758 10.352 1.00 0.00 C ATOM 698 CD GLU A 47 -3.698 29.540 9.336 1.00 0.00 C ATOM 699 OE1 GLU A 47 -3.086 30.212 8.480 1.00 0.00 O ATOM 700 OE2 GLU A 47 -4.943 29.479 9.398 1.00 0.00 O ATOM 0 H GLU A 47 -1.826 25.576 11.433 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.351 26.764 10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.529 27.113 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.546 27.345 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.446 28.691 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.966 29.300 10.571 1.00 0.00 H new ATOM 707 N VAL A 48 -3.099 24.753 8.546 1.00 0.00 N ATOM 708 CA VAL A 48 -3.458 23.913 7.410 1.00 0.00 C ATOM 709 C VAL A 48 -4.586 22.953 7.771 1.00 0.00 C ATOM 710 O VAL A 48 -5.416 22.610 6.930 1.00 0.00 O ATOM 711 CB VAL A 48 -2.249 23.101 6.908 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.699 22.010 5.949 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.230 24.017 6.246 1.00 0.00 C ATOM 0 H VAL A 48 -2.103 24.759 8.768 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.793 24.581 6.616 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.773 22.624 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.831 21.447 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.388 21.338 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.201 22.462 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.383 23.427 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.692 24.524 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.884 24.758 6.967 1.00 0.00 H new ATOM 723 N SER A 49 -4.609 22.522 9.029 1.00 0.00 N ATOM 724 CA SER A 49 -5.633 21.599 9.501 1.00 0.00 C ATOM 725 C SER A 49 -6.960 22.321 9.714 1.00 0.00 C ATOM 726 O SER A 49 -7.945 22.050 9.027 1.00 0.00 O ATOM 727 CB SER A 49 -5.188 20.934 10.805 1.00 0.00 C ATOM 728 OG SER A 49 -5.337 21.815 11.904 1.00 0.00 O ATOM 0 H SER A 49 -3.930 22.798 9.739 1.00 0.00 H new ATOM 0 HA SER A 49 -5.774 20.832 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.776 20.032 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.146 20.625 10.722 1.00 0.00 H new ATOM 0 HG SER A 49 -4.795 22.618 11.756 1.00 0.00 H new ATOM 734 N LYS A 50 -6.978 23.243 10.670 1.00 0.00 N ATOM 735 CA LYS A 50 -8.182 24.007 10.974 1.00 0.00 C ATOM 736 C LYS A 50 -8.980 24.293 9.706 1.00 0.00 C ATOM 737 O LYS A 50 -10.210 24.351 9.736 1.00 0.00 O ATOM 738 CB LYS A 50 -7.815 25.323 11.666 1.00 0.00 C ATOM 739 CG LYS A 50 -8.351 25.436 13.082 1.00 0.00 C ATOM 740 CD LYS A 50 -7.423 24.771 14.085 1.00 0.00 C ATOM 741 CE LYS A 50 -7.905 23.375 14.450 1.00 0.00 C ATOM 742 NZ LYS A 50 -7.028 22.734 15.468 1.00 0.00 N ATOM 0 H LYS A 50 -6.172 23.480 11.248 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.801 23.411 11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.730 25.421 11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.198 26.154 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.476 26.487 13.342 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.337 24.975 13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.417 24.713 13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.360 25.382 14.985 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.924 23.431 14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.934 22.755 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.390 21.785 15.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.061 22.657 15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.020 23.312 16.333 1.00 0.00 H new ATOM 756 N ILE A 51 -8.273 24.469 8.595 1.00 0.00 N ATOM 757 CA ILE A 51 -8.917 24.746 7.317 1.00 0.00 C ATOM 758 C ILE A 51 -9.599 23.499 6.764 1.00 0.00 C ATOM 759 O ILE A 51 -10.782 23.525 6.422 1.00 0.00 O ATOM 760 CB ILE A 51 -7.906 25.267 6.279 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.258 26.562 6.772 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.590 25.488 4.938 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.874 26.798 6.208 1.00 0.00 C ATOM 0 H ILE A 51 -7.255 24.425 8.554 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.666 25.516 7.501 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.124 24.519 6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.898 27.403 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.199 26.538 7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.862 25.856 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.009 24.546 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.389 26.220 5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.476 27.734 6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.219 25.976 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.929 26.855 5.121 1.00 0.00 H new ATOM 775 N VAL A 52 -8.846 22.407 6.680 1.00 0.00 N ATOM 776 CA VAL A 52 -9.378 21.148 6.171 1.00 0.00 C ATOM 777 C VAL A 52 -10.635 20.737 6.930 1.00 0.00 C ATOM 778 O VAL A 52 -11.648 20.381 6.327 1.00 0.00 O ATOM 779 CB VAL A 52 -8.338 20.017 6.272 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.978 18.673 5.959 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.165 20.288 5.342 1.00 0.00 C ATOM 0 H VAL A 52 -7.865 22.369 6.958 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.626 21.310 5.122 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.961 19.983 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.228 17.886 6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.782 18.478 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.384 18.690 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.440 19.479 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.522 20.350 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.691 21.230 5.619 1.00 0.00 H new ATOM 791 N ALA A 53 -10.563 20.788 8.256 1.00 0.00 N ATOM 792 CA ALA A 53 -11.696 20.423 9.097 1.00 0.00 C ATOM 793 C ALA A 53 -12.984 21.065 8.592 1.00 0.00 C ATOM 794 O ALA A 53 -14.008 20.396 8.450 1.00 0.00 O ATOM 795 CB ALA A 53 -11.433 20.827 10.540 1.00 0.00 C ATOM 0 H ALA A 53 -9.732 21.079 8.771 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.818 19.341 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.287 20.549 11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.541 20.317 10.904 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.282 21.905 10.594 1.00 0.00 H new ATOM 801 N SER A 54 -12.926 22.365 8.323 1.00 0.00 N ATOM 802 CA SER A 54 -14.090 23.098 7.838 1.00 0.00 C ATOM 803 C SER A 54 -14.535 22.572 6.477 1.00 0.00 C ATOM 804 O SER A 54 -15.724 22.565 6.161 1.00 0.00 O ATOM 805 CB SER A 54 -13.774 24.592 7.742 1.00 0.00 C ATOM 806 OG SER A 54 -14.525 25.334 8.686 1.00 0.00 O ATOM 0 H SER A 54 -12.086 22.933 8.433 1.00 0.00 H new ATOM 0 HA SER A 54 -14.904 22.951 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.709 24.753 7.912 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.994 24.949 6.736 1.00 0.00 H new ATOM 0 HG SER A 54 -14.303 26.285 8.605 1.00 0.00 H new ATOM 812 N MET A 55 -13.570 22.132 5.676 1.00 0.00 N ATOM 813 CA MET A 55 -13.862 21.602 4.349 1.00 0.00 C ATOM 814 C MET A 55 -14.667 20.311 4.444 1.00 0.00 C ATOM 815 O MET A 55 -15.737 20.189 3.846 1.00 0.00 O ATOM 816 CB MET A 55 -12.564 21.352 3.579 1.00 0.00 C ATOM 817 CG MET A 55 -11.754 22.614 3.327 1.00 0.00 C ATOM 818 SD MET A 55 -11.880 23.191 1.624 1.00 0.00 S ATOM 819 CE MET A 55 -10.632 22.180 0.830 1.00 0.00 C ATOM 0 H MET A 55 -12.580 22.132 5.922 1.00 0.00 H new ATOM 0 HA MET A 55 -14.457 22.341 3.813 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.952 20.642 4.136 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.802 20.886 2.623 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.096 23.401 3.999 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.708 22.423 3.565 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.765 22.220 -0.251 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.642 22.556 1.087 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.729 21.149 1.170 1.00 0.00 H new ATOM 829 N TRP A 56 -14.147 19.349 5.198 1.00 0.00 N ATOM 830 CA TRP A 56 -14.819 18.066 5.370 1.00 0.00 C ATOM 831 C TRP A 56 -16.191 18.251 6.008 1.00 0.00 C ATOM 832 O TRP A 56 -17.189 17.720 5.519 1.00 0.00 O ATOM 833 CB TRP A 56 -13.965 17.132 6.230 1.00 0.00 C ATOM 834 CG TRP A 56 -14.723 15.951 6.756 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.515 15.914 7.869 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.759 14.635 6.192 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.041 14.655 8.030 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.593 13.852 7.015 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.170 14.043 5.072 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.849 12.509 6.751 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.425 12.710 4.812 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.259 11.956 5.647 1.00 0.00 C ATOM 0 H TRP A 56 -13.263 19.433 5.700 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.955 17.620 4.385 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.119 16.779 5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.556 17.695 7.069 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.700 16.751 8.526 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.664 14.365 8.784 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.527 14.617 4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.490 11.925 7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.973 12.242 3.950 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.440 10.917 5.415 1.00 0.00 H new ATOM 853 N ASP A 57 -16.235 19.006 7.100 1.00 0.00 N ATOM 854 CA ASP A 57 -17.487 19.262 7.803 1.00 0.00 C ATOM 855 C ASP A 57 -18.542 19.814 6.850 1.00 0.00 C ATOM 856 O ASP A 57 -19.736 19.782 7.144 1.00 0.00 O ATOM 857 CB ASP A 57 -17.258 20.243 8.954 1.00 0.00 C ATOM 858 CG ASP A 57 -17.347 19.573 10.311 1.00 0.00 C ATOM 859 OD1 ASP A 57 -16.373 18.899 10.704 1.00 0.00 O ATOM 860 OD2 ASP A 57 -18.391 19.723 10.980 1.00 0.00 O ATOM 0 H ASP A 57 -15.418 19.452 7.518 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.848 18.317 8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.277 20.705 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.996 21.043 8.898 1.00 0.00 H new ATOM 865 N GLY A 58 -18.093 20.320 5.705 1.00 0.00 N ATOM 866 CA GLY A 58 -19.011 20.873 4.727 1.00 0.00 C ATOM 867 C GLY A 58 -19.146 19.996 3.498 1.00 0.00 C ATOM 868 O GLY A 58 -20.027 20.212 2.665 1.00 0.00 O ATOM 0 H GLY A 58 -17.109 20.357 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.991 21.003 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.665 21.862 4.427 1.00 0.00 H new ATOM 872 N LEU A 59 -18.269 19.004 3.382 1.00 0.00 N ATOM 873 CA LEU A 59 -18.292 18.092 2.244 1.00 0.00 C ATOM 874 C LEU A 59 -19.684 17.498 2.050 1.00 0.00 C ATOM 875 O LEU A 59 -20.488 17.458 2.980 1.00 0.00 O ATOM 876 CB LEU A 59 -17.271 16.971 2.442 1.00 0.00 C ATOM 877 CG LEU A 59 -16.238 16.799 1.328 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.110 17.807 1.486 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.690 15.379 1.323 1.00 0.00 C ATOM 0 H LEU A 59 -17.534 18.811 4.062 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.031 18.659 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.741 17.151 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.811 16.031 2.558 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.729 16.981 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.384 17.670 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.516 18.818 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.620 17.657 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.956 15.275 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.215 15.169 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.506 14.675 1.160 1.00 0.00 H new ATOM 891 N GLY A 60 -19.961 17.037 0.834 1.00 0.00 N ATOM 892 CA GLY A 60 -21.255 16.449 0.541 1.00 0.00 C ATOM 893 C GLY A 60 -21.394 15.045 1.095 1.00 0.00 C ATOM 894 O GLY A 60 -20.409 14.316 1.206 1.00 0.00 O ATOM 0 H GLY A 60 -19.313 17.060 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.040 17.080 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.404 16.426 -0.539 1.00 0.00 H new ATOM 898 N GLU A 61 -22.619 14.667 1.445 1.00 0.00 N ATOM 899 CA GLU A 61 -22.882 13.342 1.993 1.00 0.00 C ATOM 900 C GLU A 61 -22.286 12.256 1.101 1.00 0.00 C ATOM 901 O GLU A 61 -21.895 11.192 1.579 1.00 0.00 O ATOM 902 CB GLU A 61 -24.387 13.119 2.150 1.00 0.00 C ATOM 903 CG GLU A 61 -24.752 12.232 3.329 1.00 0.00 C ATOM 904 CD GLU A 61 -26.150 11.656 3.215 1.00 0.00 C ATOM 905 OE1 GLU A 61 -27.117 12.445 3.187 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.276 10.415 3.152 1.00 0.00 O ATOM 0 H GLU A 61 -23.445 15.259 1.359 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.410 13.283 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.878 14.085 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.777 12.672 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.032 11.417 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.675 12.809 4.251 1.00 0.00 H new ATOM 913 N GLU A 62 -22.222 12.535 -0.197 1.00 0.00 N ATOM 914 CA GLU A 62 -21.675 11.581 -1.156 1.00 0.00 C ATOM 915 C GLU A 62 -20.160 11.472 -1.011 1.00 0.00 C ATOM 916 O GLU A 62 -19.596 10.382 -1.094 1.00 0.00 O ATOM 917 CB GLU A 62 -22.034 11.998 -2.584 1.00 0.00 C ATOM 918 CG GLU A 62 -23.228 11.252 -3.154 1.00 0.00 C ATOM 919 CD GLU A 62 -22.843 10.301 -4.271 1.00 0.00 C ATOM 920 OE1 GLU A 62 -22.534 10.784 -5.380 1.00 0.00 O ATOM 921 OE2 GLU A 62 -22.850 9.075 -4.035 1.00 0.00 O ATOM 0 H GLU A 62 -22.541 13.412 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.113 10.604 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.244 13.068 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.171 11.833 -3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.716 10.691 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.956 11.971 -3.529 1.00 0.00 H new ATOM 928 N GLN A 63 -19.509 12.610 -0.796 1.00 0.00 N ATOM 929 CA GLN A 63 -18.059 12.643 -0.641 1.00 0.00 C ATOM 930 C GLN A 63 -17.647 12.133 0.736 1.00 0.00 C ATOM 931 O GLN A 63 -16.553 11.596 0.909 1.00 0.00 O ATOM 932 CB GLN A 63 -17.534 14.065 -0.850 1.00 0.00 C ATOM 933 CG GLN A 63 -17.862 14.639 -2.219 1.00 0.00 C ATOM 934 CD GLN A 63 -16.976 15.813 -2.586 1.00 0.00 C ATOM 935 OE1 GLN A 63 -16.001 15.664 -3.323 1.00 0.00 O ATOM 936 NE2 GLN A 63 -17.311 16.991 -2.072 1.00 0.00 N ATOM 0 H GLN A 63 -19.962 13.521 -0.725 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.623 11.988 -1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.954 14.715 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.453 14.068 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.754 13.858 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.905 14.956 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.127 17.069 -1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.752 17.817 -2.284 1.00 0.00 H new ATOM 945 N LYS A 64 -18.530 12.305 1.713 1.00 0.00 N ATOM 946 CA LYS A 64 -18.260 11.862 3.076 1.00 0.00 C ATOM 947 C LYS A 64 -18.324 10.341 3.177 1.00 0.00 C ATOM 948 O LYS A 64 -17.494 9.719 3.838 1.00 0.00 O ATOM 949 CB LYS A 64 -19.261 12.491 4.047 1.00 0.00 C ATOM 950 CG LYS A 64 -18.828 13.848 4.574 1.00 0.00 C ATOM 951 CD LYS A 64 -19.496 14.171 5.900 1.00 0.00 C ATOM 952 CE LYS A 64 -18.949 15.456 6.502 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.745 15.900 7.679 1.00 0.00 N ATOM 0 H LYS A 64 -19.440 12.748 1.587 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.253 12.184 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.223 12.596 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.412 11.815 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.745 13.862 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -19.075 14.619 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.572 14.266 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.341 13.347 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.912 15.304 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.951 16.241 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.415 16.837 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.750 15.955 7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.626 15.218 8.455 1.00 0.00 H new ATOM 967 N GLN A 65 -19.314 9.751 2.516 1.00 0.00 N ATOM 968 CA GLN A 65 -19.485 8.303 2.531 1.00 0.00 C ATOM 969 C GLN A 65 -18.392 7.617 1.718 1.00 0.00 C ATOM 970 O GLN A 65 -17.713 6.715 2.209 1.00 0.00 O ATOM 971 CB GLN A 65 -20.861 7.925 1.979 1.00 0.00 C ATOM 972 CG GLN A 65 -21.064 8.323 0.526 1.00 0.00 C ATOM 973 CD GLN A 65 -22.480 8.074 0.045 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.311 8.982 0.029 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.762 6.838 -0.351 1.00 0.00 N ATOM 0 H GLN A 65 -20.010 10.253 1.964 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.410 7.964 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.998 6.848 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.630 8.400 2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.824 9.379 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.368 7.765 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.042 6.116 -0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.698 6.611 -0.685 1.00 0.00 H new ATOM 984 N VAL A 66 -18.228 8.050 0.472 1.00 0.00 N ATOM 985 CA VAL A 66 -17.217 7.478 -0.409 1.00 0.00 C ATOM 986 C VAL A 66 -15.897 7.277 0.327 1.00 0.00 C ATOM 987 O VAL A 66 -15.280 6.215 0.238 1.00 0.00 O ATOM 988 CB VAL A 66 -16.974 8.372 -1.640 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.636 9.792 -1.210 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.870 7.792 -2.510 1.00 0.00 C ATOM 0 H VAL A 66 -18.782 8.795 0.050 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.596 6.511 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.890 8.405 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.468 10.409 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.463 10.204 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.735 9.782 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.712 8.436 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.948 7.727 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.158 6.796 -2.847 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.469 8.302 1.055 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.221 8.239 1.806 1.00 0.00 C ATOM 1002 C TYR A 67 -14.269 7.128 2.849 1.00 0.00 C ATOM 1003 O TYR A 67 -13.254 6.500 3.153 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.942 9.581 2.486 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.240 10.578 1.592 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.065 10.241 0.931 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.750 11.857 1.410 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.420 11.149 0.114 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.113 12.771 0.594 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.948 12.413 -0.052 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.309 13.321 -0.864 1.00 0.00 O ATOM 0 H TYR A 67 -15.968 9.187 1.141 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.415 8.020 1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.885 10.010 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.333 9.409 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.649 9.252 1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.661 12.142 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.507 10.871 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.525 13.761 0.462 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.916 14.064 -1.065 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.456 6.888 3.395 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.640 5.851 4.404 1.00 0.00 C ATOM 1023 C LYS A 68 -15.599 4.464 3.772 1.00 0.00 C ATOM 1024 O LYS A 68 -14.997 3.539 4.317 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.971 6.051 5.134 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.112 7.420 5.777 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.202 7.318 7.291 1.00 0.00 C ATOM 1028 CE LYS A 68 -17.420 8.681 7.929 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.486 8.643 8.968 1.00 0.00 N ATOM 0 H LYS A 68 -16.306 7.398 3.156 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.823 5.929 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.789 5.904 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.073 5.285 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.259 8.041 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.003 7.914 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.021 6.652 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.286 6.874 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.488 9.025 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.689 9.404 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.604 9.591 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.382 8.339 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.218 7.972 9.716 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.242 4.325 2.617 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.276 3.052 1.908 1.00 0.00 C ATOM 1045 C LYS A 69 -14.871 2.610 1.514 1.00 0.00 C ATOM 1046 O LYS A 69 -14.541 1.425 1.576 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.156 3.163 0.661 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.465 3.895 0.902 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.141 3.421 2.177 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.729 2.028 2.012 1.00 0.00 C ATOM 1051 NZ LYS A 69 -19.176 1.070 3.009 1.00 0.00 N ATOM 0 H LYS A 69 -16.747 5.080 2.152 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.698 2.303 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.599 3.680 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.373 2.161 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.277 4.967 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.133 3.738 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.419 3.418 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.931 4.120 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.813 2.077 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.523 1.664 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.798 0.239 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.226 0.769 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.118 1.532 3.939 1.00 0.00 H new ATOM 1065 N LYS A 70 -14.045 3.569 1.111 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.673 3.280 0.710 1.00 0.00 C ATOM 1067 C LYS A 70 -11.838 2.837 1.907 1.00 0.00 C ATOM 1068 O LYS A 70 -11.211 1.777 1.881 1.00 0.00 O ATOM 1069 CB LYS A 70 -12.039 4.513 0.061 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.639 4.867 -1.288 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.624 5.550 -2.189 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.301 6.454 -3.207 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.737 6.270 -4.573 1.00 0.00 N ATOM 0 H LYS A 70 -14.302 4.554 1.053 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.697 2.467 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.150 5.364 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.970 4.340 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.006 3.962 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.498 5.522 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.934 6.136 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.031 4.796 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.371 6.245 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.185 7.494 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.225 6.904 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.722 6.494 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.870 5.283 -4.874 1.00 0.00 H new ATOM 1087 N THR A 71 -11.835 3.653 2.956 1.00 0.00 N ATOM 1088 CA THR A 71 -11.078 3.344 4.162 1.00 0.00 C ATOM 1089 C THR A 71 -11.222 1.875 4.541 1.00 0.00 C ATOM 1090 O THR A 71 -10.264 1.242 4.984 1.00 0.00 O ATOM 1091 CB THR A 71 -11.531 4.215 5.349 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.419 5.602 5.010 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.697 3.921 6.586 1.00 0.00 C ATOM 0 H THR A 71 -12.349 4.533 2.995 1.00 0.00 H new ATOM 0 HA THR A 71 -10.032 3.559 3.941 1.00 0.00 H new ATOM 0 HB THR A 71 -12.572 3.978 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.169 5.860 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.036 4.548 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.808 2.872 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.648 4.132 6.376 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.425 1.338 4.363 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.693 -0.059 4.687 1.00 0.00 C ATOM 1103 C GLU A 72 -11.960 -0.990 3.726 1.00 0.00 C ATOM 1104 O GLU A 72 -11.334 -1.964 4.144 1.00 0.00 O ATOM 1105 CB GLU A 72 -14.197 -0.337 4.638 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.919 -0.008 5.933 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.476 -1.240 6.620 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.677 -2.025 7.170 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.712 -1.418 6.607 1.00 0.00 O ATOM 0 H GLU A 72 -13.229 1.848 3.997 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.329 -0.248 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.639 0.243 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.356 -1.389 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.231 0.501 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.733 0.686 5.724 1.00 0.00 H new ATOM 1116 N ALA A 73 -12.044 -0.685 2.435 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.389 -1.493 1.415 1.00 0.00 C ATOM 1118 C ALA A 73 -9.882 -1.259 1.413 1.00 0.00 C ATOM 1119 O ALA A 73 -9.124 -2.039 0.837 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.973 -1.187 0.043 1.00 0.00 C ATOM 0 H ALA A 73 -12.560 0.116 2.071 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.568 -2.543 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.474 -1.798 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.040 -1.411 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.824 -0.132 -0.189 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.454 -0.180 2.061 1.00 0.00 N ATOM 1127 CA ALA A 74 -8.038 0.156 2.135 1.00 0.00 C ATOM 1128 C ALA A 74 -7.384 -0.489 3.352 1.00 0.00 C ATOM 1129 O ALA A 74 -6.263 -0.992 3.275 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.854 1.666 2.172 1.00 0.00 C ATOM 0 H ALA A 74 -10.069 0.476 2.542 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.550 -0.236 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.791 1.902 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.277 2.106 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.362 2.073 3.046 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.091 -0.469 4.477 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.580 -1.052 5.713 1.00 0.00 C ATOM 1138 C LYS A 75 -7.480 -2.569 5.597 1.00 0.00 C ATOM 1139 O LYS A 75 -6.456 -3.162 5.938 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.485 -0.678 6.889 1.00 0.00 C ATOM 1141 CG LYS A 75 -9.663 -1.619 7.074 1.00 0.00 C ATOM 1142 CD LYS A 75 -10.539 -1.192 8.240 1.00 0.00 C ATOM 1143 CE LYS A 75 -11.388 -2.347 8.750 1.00 0.00 C ATOM 1144 NZ LYS A 75 -11.987 -2.049 10.080 1.00 0.00 N ATOM 0 H LYS A 75 -9.020 -0.055 4.559 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.582 -0.652 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.892 -0.667 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.860 0.335 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.257 -1.643 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.298 -2.632 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.913 -0.815 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.187 -0.372 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.182 -2.559 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.775 -3.245 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.558 -2.860 10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.229 -1.872 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.593 -1.207 10.007 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.548 -3.193 5.114 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.580 -4.642 4.950 1.00 0.00 C ATOM 1160 C LYS A 76 -7.434 -5.115 4.062 1.00 0.00 C ATOM 1161 O LYS A 76 -6.673 -6.005 4.438 1.00 0.00 O ATOM 1162 CB LYS A 76 -9.919 -5.079 4.350 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.108 -6.585 4.317 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.380 -7.004 5.035 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.052 -8.177 4.339 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.531 -8.014 4.281 1.00 0.00 N ATOM 0 H LYS A 76 -9.404 -2.718 4.829 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.464 -5.096 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.729 -4.632 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.997 -4.689 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.145 -6.925 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.250 -7.070 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.145 -7.276 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.070 -6.161 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.657 -8.274 3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.809 -9.100 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.952 -8.834 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.911 -7.947 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.764 -7.147 3.756 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.318 -4.512 2.883 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.263 -4.872 1.942 1.00 0.00 C ATOM 1182 C GLU A 77 -4.885 -4.649 2.558 1.00 0.00 C ATOM 1183 O GLU A 77 -3.977 -5.462 2.384 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.397 -4.055 0.655 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.542 -2.800 0.639 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.734 -1.978 -0.621 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.844 -2.016 -1.191 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.773 -1.297 -1.036 1.00 0.00 O ATOM 0 H GLU A 77 -7.941 -3.773 2.557 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.369 -5.931 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.123 -4.682 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.442 -3.775 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.785 -2.188 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.492 -3.079 0.730 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.737 -3.542 3.278 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.470 -3.210 3.917 1.00 0.00 C ATOM 1197 C TYR A 78 -2.942 -4.391 4.727 1.00 0.00 C ATOM 1198 O TYR A 78 -1.768 -4.749 4.631 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.637 -1.990 4.824 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.522 -1.828 5.833 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.214 -1.603 5.422 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.777 -1.899 7.197 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.193 -1.455 6.340 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.762 -1.751 8.122 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.472 -1.530 7.689 1.00 0.00 C ATOM 1206 OH TYR A 78 0.543 -1.382 8.607 1.00 0.00 O ATOM 0 H TYR A 78 -5.479 -2.860 3.433 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.748 -2.977 3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.690 -1.093 4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.586 -2.069 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.992 -1.543 4.367 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.786 -2.073 7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.819 -1.281 6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.978 -1.808 9.179 1.00 0.00 H new ATOM 0 HH TYR A 78 0.178 -1.460 9.513 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.819 -4.993 5.523 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.443 -6.134 6.350 1.00 0.00 C ATOM 1218 C LEU A 79 -3.027 -7.319 5.485 1.00 0.00 C ATOM 1219 O LEU A 79 -1.998 -7.950 5.730 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.607 -6.535 7.259 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.276 -5.399 8.033 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.728 -5.740 8.332 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.518 -5.112 9.321 1.00 0.00 C ATOM 0 H LEU A 79 -4.795 -4.710 5.613 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.593 -5.841 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.364 -7.028 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.245 -7.272 7.976 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.254 -4.502 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.188 -4.920 8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.265 -5.895 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.772 -6.650 8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.009 -4.301 9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.508 -6.006 9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.494 -4.823 9.084 1.00 0.00 H new