USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 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 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -178:sc= 1.02 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -5.09! C(o=-5.1!,f=-8.7!) USER MOD Single : A 40 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.35) USER MOD Single : A 42 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -67:sc= 0.894 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -44:sc= 1.06 USER MOD Single : A 55 MET CE :methyl -138:sc= -5.04! (180deg=-8.22!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.437) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000462) USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -4.5! (180deg=-4.61!) USER MOD Single : A 71 THR OG1 : rot 77:sc= 0.453 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 -3.394 2.788 5.689 1.00 0.00 N ATOM 307 CA PRO A 21 -4.330 3.781 5.154 1.00 0.00 C ATOM 308 C PRO A 21 -4.990 4.607 6.253 1.00 0.00 C ATOM 309 O PRO A 21 -5.320 4.088 7.319 1.00 0.00 O ATOM 310 CB PRO A 21 -5.372 2.930 4.424 1.00 0.00 C ATOM 311 CG PRO A 21 -5.320 1.605 5.103 1.00 0.00 C ATOM 312 CD PRO A 21 -3.890 1.411 5.526 1.00 0.00 C ATOM 0 HA PRO A 21 -3.831 4.508 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.365 3.373 4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.138 2.841 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.988 1.581 5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.639 0.809 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.819 0.845 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.319 0.864 4.775 1.00 0.00 H new ATOM 320 N VAL A 22 -5.181 5.895 5.985 1.00 0.00 N ATOM 321 CA VAL A 22 -5.805 6.791 6.951 1.00 0.00 C ATOM 322 C VAL A 22 -7.321 6.635 6.948 1.00 0.00 C ATOM 323 O VAL A 22 -7.897 6.087 6.008 1.00 0.00 O ATOM 324 CB VAL A 22 -5.451 8.262 6.661 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.958 8.413 6.413 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.252 8.779 5.475 1.00 0.00 C ATOM 0 H VAL A 22 -4.913 6.341 5.108 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.417 6.517 7.932 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.712 8.859 7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.727 9.459 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.408 8.084 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.668 7.804 5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.989 9.820 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.024 8.180 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.317 8.708 5.697 1.00 0.00 H new ATOM 336 N SER A 23 -7.963 7.121 8.005 1.00 0.00 N ATOM 337 CA SER A 23 -9.414 7.032 8.126 1.00 0.00 C ATOM 338 C SER A 23 -10.100 7.723 6.952 1.00 0.00 C ATOM 339 O SER A 23 -9.441 8.223 6.040 1.00 0.00 O ATOM 340 CB SER A 23 -9.877 7.659 9.442 1.00 0.00 C ATOM 341 OG SER A 23 -10.800 6.818 10.112 1.00 0.00 O ATOM 0 H SER A 23 -7.502 7.581 8.790 1.00 0.00 H new ATOM 0 HA SER A 23 -9.690 5.978 8.117 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.015 7.842 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.339 8.626 9.245 1.00 0.00 H new ATOM 0 HG SER A 23 -11.079 7.241 10.951 1.00 0.00 H new ATOM 347 N ALA A 24 -11.429 7.746 6.981 1.00 0.00 N ATOM 348 CA ALA A 24 -12.205 8.377 5.921 1.00 0.00 C ATOM 349 C ALA A 24 -11.949 9.880 5.873 1.00 0.00 C ATOM 350 O ALA A 24 -11.575 10.422 4.833 1.00 0.00 O ATOM 351 CB ALA A 24 -13.688 8.099 6.116 1.00 0.00 C ATOM 0 H ALA A 24 -11.990 7.335 7.727 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.888 7.950 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.256 8.576 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.863 7.023 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.010 8.498 7.078 1.00 0.00 H new ATOM 357 N TYR A 25 -12.153 10.547 7.003 1.00 0.00 N ATOM 358 CA TYR A 25 -11.948 11.988 7.088 1.00 0.00 C ATOM 359 C TYR A 25 -10.487 12.345 6.833 1.00 0.00 C ATOM 360 O TYR A 25 -10.174 13.455 6.405 1.00 0.00 O ATOM 361 CB TYR A 25 -12.379 12.505 8.462 1.00 0.00 C ATOM 362 CG TYR A 25 -11.685 13.785 8.871 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.705 14.903 8.048 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.011 13.876 10.083 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.073 16.074 8.418 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.377 15.043 10.462 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.410 16.139 9.626 1.00 0.00 C ATOM 368 OH TYR A 25 -9.780 17.304 9.999 1.00 0.00 O ATOM 0 H TYR A 25 -12.460 10.113 7.873 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.559 12.463 6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.456 12.671 8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.178 11.737 9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.224 14.856 7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.983 13.019 10.740 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.098 16.934 7.765 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.858 15.097 11.408 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.362 17.183 10.877 1.00 0.00 H new ATOM 378 N ALA A 26 -9.596 11.395 7.100 1.00 0.00 N ATOM 379 CA ALA A 26 -8.169 11.607 6.897 1.00 0.00 C ATOM 380 C ALA A 26 -7.810 11.547 5.416 1.00 0.00 C ATOM 381 O ALA A 26 -6.969 12.310 4.939 1.00 0.00 O ATOM 382 CB ALA A 26 -7.366 10.579 7.679 1.00 0.00 C ATOM 0 H ALA A 26 -9.838 10.471 7.458 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.919 12.602 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.302 10.750 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.592 10.672 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.628 9.577 7.339 1.00 0.00 H new ATOM 388 N LEU A 27 -8.450 10.634 4.694 1.00 0.00 N ATOM 389 CA LEU A 27 -8.197 10.473 3.266 1.00 0.00 C ATOM 390 C LEU A 27 -8.421 11.786 2.522 1.00 0.00 C ATOM 391 O LEU A 27 -7.806 12.036 1.485 1.00 0.00 O ATOM 392 CB LEU A 27 -9.103 9.385 2.687 1.00 0.00 C ATOM 393 CG LEU A 27 -8.492 7.987 2.583 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.565 6.922 2.746 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.768 7.819 1.255 1.00 0.00 C ATOM 0 H LEU A 27 -9.148 9.994 5.073 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.156 10.177 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.001 9.322 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.420 9.696 1.692 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.766 7.868 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.111 5.934 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.039 7.029 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.315 7.039 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.339 6.818 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.473 7.959 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.972 8.560 1.178 1.00 0.00 H new ATOM 407 N PHE A 28 -9.303 12.622 3.059 1.00 0.00 N ATOM 408 CA PHE A 28 -9.607 13.910 2.447 1.00 0.00 C ATOM 409 C PHE A 28 -8.675 14.996 2.976 1.00 0.00 C ATOM 410 O PHE A 28 -8.586 16.085 2.407 1.00 0.00 O ATOM 411 CB PHE A 28 -11.063 14.296 2.717 1.00 0.00 C ATOM 412 CG PHE A 28 -11.334 15.764 2.552 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.427 16.327 1.289 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.497 16.580 3.659 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.676 17.678 1.135 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.747 17.932 3.511 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.837 18.481 2.247 1.00 0.00 C ATOM 0 H PHE A 28 -9.820 12.431 3.917 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.456 13.818 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.710 13.737 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.328 13.997 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.304 15.704 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.428 16.155 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.745 18.105 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.872 18.558 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.033 19.536 2.128 1.00 0.00 H new ATOM 427 N PHE A 29 -7.982 14.693 4.068 1.00 0.00 N ATOM 428 CA PHE A 29 -7.058 15.643 4.676 1.00 0.00 C ATOM 429 C PHE A 29 -5.689 15.575 4.005 1.00 0.00 C ATOM 430 O PHE A 29 -5.026 16.595 3.816 1.00 0.00 O ATOM 431 CB PHE A 29 -6.919 15.366 6.174 1.00 0.00 C ATOM 432 CG PHE A 29 -5.848 16.184 6.839 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.509 15.928 6.592 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.182 17.208 7.710 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.522 16.679 7.202 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.199 17.963 8.322 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.867 17.697 8.069 1.00 0.00 C ATOM 0 H PHE A 29 -8.043 13.796 4.551 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.463 16.645 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.873 15.566 6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.701 14.308 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.233 15.133 5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.222 17.419 7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.482 16.470 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.472 18.760 8.997 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.097 18.284 8.548 1.00 0.00 H new ATOM 447 N ARG A 30 -5.271 14.364 3.649 1.00 0.00 N ATOM 448 CA ARG A 30 -3.981 14.161 3.001 1.00 0.00 C ATOM 449 C ARG A 30 -4.043 14.557 1.529 1.00 0.00 C ATOM 450 O ARG A 30 -3.014 14.777 0.890 1.00 0.00 O ATOM 451 CB ARG A 30 -3.546 12.700 3.129 1.00 0.00 C ATOM 452 CG ARG A 30 -4.553 11.713 2.562 1.00 0.00 C ATOM 453 CD ARG A 30 -3.878 10.432 2.099 1.00 0.00 C ATOM 454 NE ARG A 30 -2.900 10.680 1.043 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.203 9.719 0.447 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.377 8.453 0.800 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.331 10.024 -0.506 1.00 0.00 N ATOM 0 H ARG A 30 -5.807 13.509 3.799 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.249 14.796 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.593 12.567 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.378 12.471 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.300 11.478 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.081 12.170 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.384 9.956 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.633 9.734 1.737 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.744 11.644 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.047 8.215 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.840 7.717 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.196 10.997 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.796 9.286 -0.963 1.00 0.00 H new ATOM 471 N ASP A 31 -5.257 14.646 0.996 1.00 0.00 N ATOM 472 CA ASP A 31 -5.454 15.016 -0.400 1.00 0.00 C ATOM 473 C ASP A 31 -5.725 16.511 -0.533 1.00 0.00 C ATOM 474 O ASP A 31 -5.446 17.115 -1.570 1.00 0.00 O ATOM 475 CB ASP A 31 -6.613 14.220 -1.002 1.00 0.00 C ATOM 476 CG ASP A 31 -6.180 13.369 -2.180 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.205 13.749 -2.860 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.818 12.322 -2.422 1.00 0.00 O ATOM 0 H ASP A 31 -6.119 14.467 1.510 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.540 14.781 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.047 13.579 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.395 14.908 -1.323 1.00 0.00 H new ATOM 483 N THR A 32 -6.272 17.105 0.523 1.00 0.00 N ATOM 484 CA THR A 32 -6.583 18.529 0.524 1.00 0.00 C ATOM 485 C THR A 32 -5.411 19.347 1.055 1.00 0.00 C ATOM 486 O THR A 32 -5.031 20.358 0.465 1.00 0.00 O ATOM 487 CB THR A 32 -7.832 18.831 1.373 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.976 18.179 0.810 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.083 20.329 1.452 1.00 0.00 C ATOM 0 H THR A 32 -6.509 16.621 1.389 1.00 0.00 H new ATOM 0 HA THR A 32 -6.780 18.810 -0.511 1.00 0.00 H new ATOM 0 HB THR A 32 -7.659 18.454 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.772 18.405 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.970 20.518 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.222 20.819 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.237 20.726 0.448 1.00 0.00 H new ATOM 497 N GLN A 33 -4.844 18.904 2.172 1.00 0.00 N ATOM 498 CA GLN A 33 -3.715 19.596 2.782 1.00 0.00 C ATOM 499 C GLN A 33 -2.813 20.210 1.716 1.00 0.00 C ATOM 500 O GLN A 33 -2.642 21.427 1.660 1.00 0.00 O ATOM 501 CB GLN A 33 -2.910 18.633 3.656 1.00 0.00 C ATOM 502 CG GLN A 33 -1.628 19.237 4.206 1.00 0.00 C ATOM 503 CD GLN A 33 -0.516 18.217 4.347 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.198 17.776 5.451 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.083 17.836 3.224 1.00 0.00 N ATOM 0 H GLN A 33 -5.148 18.069 2.673 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.108 20.399 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.533 18.304 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.663 17.746 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.298 20.040 3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.830 19.685 5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.213 18.228 2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.839 17.152 3.256 1.00 0.00 H new ATOM 514 N ALA A 34 -2.237 19.358 0.874 1.00 0.00 N ATOM 515 CA ALA A 34 -1.354 19.817 -0.191 1.00 0.00 C ATOM 516 C ALA A 34 -1.883 21.096 -0.832 1.00 0.00 C ATOM 517 O ALA A 34 -1.124 22.025 -1.104 1.00 0.00 O ATOM 518 CB ALA A 34 -1.184 18.729 -1.241 1.00 0.00 C ATOM 0 H ALA A 34 -2.366 18.347 0.909 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.381 20.038 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.522 19.085 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.752 17.841 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.156 18.480 -1.667 1.00 0.00 H new ATOM 524 N ALA A 35 -3.190 21.135 -1.070 1.00 0.00 N ATOM 525 CA ALA A 35 -3.821 22.300 -1.677 1.00 0.00 C ATOM 526 C ALA A 35 -3.829 23.484 -0.716 1.00 0.00 C ATOM 527 O ALA A 35 -3.647 24.630 -1.128 1.00 0.00 O ATOM 528 CB ALA A 35 -5.240 21.964 -2.114 1.00 0.00 C ATOM 0 H ALA A 35 -3.832 20.373 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.238 22.581 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.699 22.843 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.214 21.153 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.824 21.654 -1.247 1.00 0.00 H new ATOM 534 N ILE A 36 -4.040 23.199 0.564 1.00 0.00 N ATOM 535 CA ILE A 36 -4.070 24.241 1.583 1.00 0.00 C ATOM 536 C ILE A 36 -2.683 24.835 1.803 1.00 0.00 C ATOM 537 O ILE A 36 -2.477 26.038 1.639 1.00 0.00 O ATOM 538 CB ILE A 36 -4.604 23.703 2.924 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.845 22.838 2.693 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.921 24.853 3.868 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.961 23.563 1.972 1.00 0.00 C ATOM 0 H ILE A 36 -4.193 22.256 0.920 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.742 25.018 1.219 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.833 23.084 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.562 21.958 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.215 22.483 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.297 24.456 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.016 25.432 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.677 25.496 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.808 22.890 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.271 24.428 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.608 23.894 0.995 1.00 0.00 H new ATOM 553 N LYS A 37 -1.733 23.984 2.175 1.00 0.00 N ATOM 554 CA LYS A 37 -0.363 24.423 2.415 1.00 0.00 C ATOM 555 C LYS A 37 0.225 25.076 1.168 1.00 0.00 C ATOM 556 O LYS A 37 0.760 26.182 1.229 1.00 0.00 O ATOM 557 CB LYS A 37 0.506 23.238 2.841 1.00 0.00 C ATOM 558 CG LYS A 37 1.328 23.504 4.091 1.00 0.00 C ATOM 559 CD LYS A 37 2.526 24.389 3.792 1.00 0.00 C ATOM 560 CE LYS A 37 3.831 23.614 3.891 1.00 0.00 C ATOM 561 NZ LYS A 37 4.761 23.949 2.778 1.00 0.00 N ATOM 0 H LYS A 37 -1.887 22.986 2.317 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.379 25.161 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.134 22.373 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.178 22.978 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.702 23.981 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.669 22.558 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.427 24.811 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.545 25.226 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.312 23.833 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.620 22.545 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.638 23.400 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.312 23.717 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.983 24.965 2.805 1.00 0.00 H new ATOM 575 N GLY A 38 0.121 24.384 0.037 1.00 0.00 N ATOM 576 CA GLY A 38 0.646 24.914 -1.207 1.00 0.00 C ATOM 577 C GLY A 38 0.164 26.323 -1.487 1.00 0.00 C ATOM 578 O GLY A 38 0.935 27.172 -1.933 1.00 0.00 O ATOM 0 H GLY A 38 -0.317 23.466 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.735 24.907 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.351 24.262 -2.029 1.00 0.00 H new ATOM 582 N GLN A 39 -1.115 26.572 -1.226 1.00 0.00 N ATOM 583 CA GLN A 39 -1.700 27.888 -1.455 1.00 0.00 C ATOM 584 C GLN A 39 -1.380 28.834 -0.301 1.00 0.00 C ATOM 585 O GLN A 39 -1.281 30.045 -0.489 1.00 0.00 O ATOM 586 CB GLN A 39 -3.215 27.773 -1.631 1.00 0.00 C ATOM 587 CG GLN A 39 -3.630 27.250 -2.996 1.00 0.00 C ATOM 588 CD GLN A 39 -2.738 26.127 -3.487 1.00 0.00 C ATOM 589 OE1 GLN A 39 -1.540 26.318 -3.700 1.00 0.00 O ATOM 590 NE2 GLN A 39 -3.317 24.947 -3.670 1.00 0.00 N ATOM 0 H GLN A 39 -1.766 25.880 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.266 28.297 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.613 27.112 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.666 28.753 -1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.660 26.896 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.608 28.068 -3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.313 24.833 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.766 24.154 -3.999 1.00 0.00 H new ATOM 599 N ASN A 40 -1.221 28.271 0.892 1.00 0.00 N ATOM 600 CA ASN A 40 -0.914 29.064 2.077 1.00 0.00 C ATOM 601 C ASN A 40 0.176 28.397 2.911 1.00 0.00 C ATOM 602 O ASN A 40 -0.095 27.710 3.896 1.00 0.00 O ATOM 603 CB ASN A 40 -2.172 29.261 2.925 1.00 0.00 C ATOM 604 CG ASN A 40 -3.425 29.389 2.079 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.582 30.347 1.323 1.00 0.00 O ATOM 606 ND2 ASN A 40 -4.324 28.420 2.205 1.00 0.00 N ATOM 0 H ASN A 40 -1.300 27.269 1.064 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.550 30.037 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.282 28.419 3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.058 30.155 3.538 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.187 28.451 1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.152 27.644 2.844 1.00 0.00 H new ATOM 613 N PRO A 41 1.439 28.604 2.508 1.00 0.00 N ATOM 614 CA PRO A 41 2.595 28.032 3.205 1.00 0.00 C ATOM 615 C PRO A 41 2.822 28.670 4.571 1.00 0.00 C ATOM 616 O PRO A 41 3.546 28.130 5.406 1.00 0.00 O ATOM 617 CB PRO A 41 3.764 28.345 2.268 1.00 0.00 C ATOM 618 CG PRO A 41 3.324 29.544 1.501 1.00 0.00 C ATOM 619 CD PRO A 41 1.835 29.412 1.343 1.00 0.00 C ATOM 0 HA PRO A 41 2.465 26.969 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.677 28.546 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.975 27.506 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.580 30.462 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.817 29.588 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.343 30.385 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.572 28.922 0.406 1.00 0.00 H new ATOM 627 N ASN A 42 2.198 29.823 4.792 1.00 0.00 N ATOM 628 CA ASN A 42 2.333 30.535 6.058 1.00 0.00 C ATOM 629 C ASN A 42 1.607 29.795 7.177 1.00 0.00 C ATOM 630 O ASN A 42 2.020 29.842 8.336 1.00 0.00 O ATOM 631 CB ASN A 42 1.782 31.956 5.929 1.00 0.00 C ATOM 632 CG ASN A 42 2.875 32.981 5.696 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.047 32.634 5.554 1.00 0.00 O ATOM 634 ND2 ASN A 42 2.494 34.253 5.657 1.00 0.00 N ATOM 0 H ASN A 42 1.594 30.284 4.111 1.00 0.00 H new ATOM 0 HA ASN A 42 3.393 30.585 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.071 31.993 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.233 32.214 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.185 34.988 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.511 34.495 5.780 1.00 0.00 H new ATOM 641 N ALA A 43 0.523 29.113 6.823 1.00 0.00 N ATOM 642 CA ALA A 43 -0.259 28.361 7.797 1.00 0.00 C ATOM 643 C ALA A 43 0.460 27.081 8.208 1.00 0.00 C ATOM 644 O ALA A 43 0.518 26.116 7.445 1.00 0.00 O ATOM 645 CB ALA A 43 -1.635 28.038 7.232 1.00 0.00 C ATOM 0 H ALA A 43 0.166 29.066 5.869 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.379 28.980 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.208 27.476 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.158 28.965 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.526 27.441 6.326 1.00 0.00 H new ATOM 651 N THR A 44 1.008 27.079 9.419 1.00 0.00 N ATOM 652 CA THR A 44 1.725 25.918 9.931 1.00 0.00 C ATOM 653 C THR A 44 0.851 24.669 9.890 1.00 0.00 C ATOM 654 O THR A 44 -0.367 24.757 9.737 1.00 0.00 O ATOM 655 CB THR A 44 2.206 26.147 11.377 1.00 0.00 C ATOM 656 OG1 THR A 44 1.088 26.432 12.225 1.00 0.00 O ATOM 657 CG2 THR A 44 3.203 27.293 11.440 1.00 0.00 C ATOM 0 H THR A 44 0.969 27.869 10.064 1.00 0.00 H new ATOM 0 HA THR A 44 2.592 25.773 9.286 1.00 0.00 H new ATOM 0 HB THR A 44 2.700 25.238 11.721 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.401 26.575 13.143 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.528 27.436 12.470 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.066 27.059 10.816 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.731 28.206 11.079 1.00 0.00 H new ATOM 665 N PHE A 45 1.481 23.507 10.028 1.00 0.00 N ATOM 666 CA PHE A 45 0.760 22.240 10.006 1.00 0.00 C ATOM 667 C PHE A 45 -0.565 22.355 10.753 1.00 0.00 C ATOM 668 O PHE A 45 -1.629 22.084 10.198 1.00 0.00 O ATOM 669 CB PHE A 45 1.614 21.132 10.626 1.00 0.00 C ATOM 670 CG PHE A 45 2.318 20.278 9.611 1.00 0.00 C ATOM 671 CD1 PHE A 45 1.597 19.556 8.674 1.00 0.00 C ATOM 672 CD2 PHE A 45 3.701 20.198 9.594 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.243 18.770 7.738 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.352 19.414 8.661 1.00 0.00 C ATOM 675 CZ PHE A 45 3.622 18.698 7.732 1.00 0.00 C ATOM 0 H PHE A 45 2.489 23.417 10.156 1.00 0.00 H new ATOM 0 HA PHE A 45 0.550 21.988 8.966 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.355 21.582 11.287 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.979 20.498 11.245 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.518 19.608 8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.277 20.755 10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.670 18.213 7.012 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.431 19.361 8.658 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.129 18.083 7.003 1.00 0.00 H new ATOM 685 N GLY A 46 -0.492 22.759 12.018 1.00 0.00 N ATOM 686 CA GLY A 46 -1.691 22.903 12.822 1.00 0.00 C ATOM 687 C GLY A 46 -2.756 23.731 12.132 1.00 0.00 C ATOM 688 O GLY A 46 -3.948 23.458 12.268 1.00 0.00 O ATOM 0 H GLY A 46 0.377 22.989 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.093 21.916 13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.433 23.368 13.773 1.00 0.00 H new ATOM 692 N GLU A 47 -2.326 24.747 11.390 1.00 0.00 N ATOM 693 CA GLU A 47 -3.252 25.619 10.679 1.00 0.00 C ATOM 694 C GLU A 47 -3.896 24.887 9.505 1.00 0.00 C ATOM 695 O GLU A 47 -5.116 24.733 9.449 1.00 0.00 O ATOM 696 CB GLU A 47 -2.527 26.871 10.178 1.00 0.00 C ATOM 697 CG GLU A 47 -2.930 28.141 10.908 1.00 0.00 C ATOM 698 CD GLU A 47 -3.804 29.047 10.063 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.836 28.567 9.550 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.456 30.237 9.916 1.00 0.00 O ATOM 0 H GLU A 47 -1.342 24.986 11.266 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.037 25.916 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.452 26.726 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.727 26.995 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.463 27.877 11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.033 28.684 11.208 1.00 0.00 H new ATOM 707 N VAL A 48 -3.067 24.438 8.568 1.00 0.00 N ATOM 708 CA VAL A 48 -3.553 23.722 7.395 1.00 0.00 C ATOM 709 C VAL A 48 -4.758 22.855 7.742 1.00 0.00 C ATOM 710 O VAL A 48 -5.722 22.779 6.980 1.00 0.00 O ATOM 711 CB VAL A 48 -2.454 22.833 6.784 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.059 21.815 5.829 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.412 23.686 6.077 1.00 0.00 C ATOM 0 H VAL A 48 -2.055 24.558 8.599 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.848 24.475 6.664 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.960 22.290 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.267 21.196 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.764 21.183 6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.580 22.335 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.643 23.042 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.889 24.257 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.957 24.371 6.792 1.00 0.00 H new ATOM 723 N SER A 49 -4.698 22.202 8.898 1.00 0.00 N ATOM 724 CA SER A 49 -5.783 21.336 9.345 1.00 0.00 C ATOM 725 C SER A 49 -7.041 22.149 9.637 1.00 0.00 C ATOM 726 O SER A 49 -8.071 21.977 8.985 1.00 0.00 O ATOM 727 CB SER A 49 -5.362 20.560 10.595 1.00 0.00 C ATOM 728 OG SER A 49 -4.065 20.011 10.441 1.00 0.00 O ATOM 0 H SER A 49 -3.909 22.256 9.542 1.00 0.00 H new ATOM 0 HA SER A 49 -6.005 20.630 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.380 21.222 11.461 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.078 19.761 10.789 1.00 0.00 H new ATOM 0 HG SER A 49 -4.084 19.315 9.752 1.00 0.00 H new ATOM 734 N LYS A 50 -6.949 23.036 10.623 1.00 0.00 N ATOM 735 CA LYS A 50 -8.077 23.878 11.002 1.00 0.00 C ATOM 736 C LYS A 50 -8.913 24.250 9.782 1.00 0.00 C ATOM 737 O LYS A 50 -10.137 24.359 9.866 1.00 0.00 O ATOM 738 CB LYS A 50 -7.582 25.146 11.700 1.00 0.00 C ATOM 739 CG LYS A 50 -8.429 25.554 12.893 1.00 0.00 C ATOM 740 CD LYS A 50 -9.667 26.322 12.462 1.00 0.00 C ATOM 741 CE LYS A 50 -10.745 26.290 13.534 1.00 0.00 C ATOM 742 NZ LYS A 50 -11.608 27.503 13.489 1.00 0.00 N ATOM 0 H LYS A 50 -6.104 23.190 11.174 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.704 23.313 11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.555 24.991 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.566 25.964 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.727 24.665 13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.835 26.169 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.398 27.356 12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.058 25.895 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.361 25.401 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.278 26.212 14.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.330 27.443 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.024 28.350 13.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.073 27.564 12.561 1.00 0.00 H new ATOM 756 N ILE A 51 -8.245 24.443 8.649 1.00 0.00 N ATOM 757 CA ILE A 51 -8.928 24.800 7.412 1.00 0.00 C ATOM 758 C ILE A 51 -9.664 23.601 6.824 1.00 0.00 C ATOM 759 O ILE A 51 -10.837 23.695 6.463 1.00 0.00 O ATOM 760 CB ILE A 51 -7.942 25.348 6.363 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.257 26.612 6.887 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.664 25.633 5.055 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.893 26.856 6.280 1.00 0.00 C ATOM 0 H ILE A 51 -7.232 24.358 8.563 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.649 25.578 7.663 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.177 24.594 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.895 27.472 6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.156 26.538 7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.954 26.020 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.109 24.713 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.447 26.371 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.467 27.768 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.239 26.014 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.989 26.962 5.199 1.00 0.00 H new ATOM 775 N VAL A 52 -8.967 22.473 6.732 1.00 0.00 N ATOM 776 CA VAL A 52 -9.555 21.253 6.190 1.00 0.00 C ATOM 777 C VAL A 52 -10.734 20.789 7.038 1.00 0.00 C ATOM 778 O VAL A 52 -11.841 20.606 6.532 1.00 0.00 O ATOM 779 CB VAL A 52 -8.516 20.119 6.109 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.171 18.829 5.636 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.369 20.512 5.190 1.00 0.00 C ATOM 0 H VAL A 52 -7.995 22.378 7.026 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.905 21.488 5.185 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.110 19.949 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.422 18.038 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.955 18.541 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.605 18.982 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.644 19.699 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.755 20.710 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.884 21.409 5.576 1.00 0.00 H new ATOM 791 N ALA A 53 -10.489 20.599 8.330 1.00 0.00 N ATOM 792 CA ALA A 53 -11.531 20.158 9.248 1.00 0.00 C ATOM 793 C ALA A 53 -12.843 20.888 8.981 1.00 0.00 C ATOM 794 O ALA A 53 -13.918 20.291 9.038 1.00 0.00 O ATOM 795 CB ALA A 53 -11.090 20.372 10.689 1.00 0.00 C ATOM 0 H ALA A 53 -9.578 20.744 8.765 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.698 19.093 9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.878 20.038 11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.182 19.800 10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.894 21.431 10.856 1.00 0.00 H new ATOM 801 N SER A 54 -12.747 22.181 8.691 1.00 0.00 N ATOM 802 CA SER A 54 -13.927 22.993 8.419 1.00 0.00 C ATOM 803 C SER A 54 -14.589 22.570 7.111 1.00 0.00 C ATOM 804 O SER A 54 -15.812 22.597 6.984 1.00 0.00 O ATOM 805 CB SER A 54 -13.550 24.474 8.357 1.00 0.00 C ATOM 806 OG SER A 54 -12.921 24.790 7.127 1.00 0.00 O ATOM 0 H SER A 54 -11.864 22.689 8.638 1.00 0.00 H new ATOM 0 HA SER A 54 -14.637 22.840 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.444 25.085 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.882 24.717 9.183 1.00 0.00 H new ATOM 0 HG SER A 54 -12.263 24.098 6.909 1.00 0.00 H new ATOM 812 N MET A 55 -13.769 22.180 6.140 1.00 0.00 N ATOM 813 CA MET A 55 -14.273 21.750 4.841 1.00 0.00 C ATOM 814 C MET A 55 -14.967 20.396 4.948 1.00 0.00 C ATOM 815 O MET A 55 -16.118 20.244 4.540 1.00 0.00 O ATOM 816 CB MET A 55 -13.131 21.672 3.827 1.00 0.00 C ATOM 817 CG MET A 55 -12.283 22.932 3.768 1.00 0.00 C ATOM 818 SD MET A 55 -11.670 23.280 2.108 1.00 0.00 S ATOM 819 CE MET A 55 -10.835 21.742 1.727 1.00 0.00 C ATOM 0 H MET A 55 -12.753 22.153 6.228 1.00 0.00 H new ATOM 0 HA MET A 55 -15.002 22.486 4.501 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.492 20.825 4.077 1.00 0.00 H new ATOM 0 HB3 MET A 55 -13.547 21.477 2.838 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.873 23.779 4.118 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.438 22.829 4.449 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.887 21.955 1.233 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.647 21.192 2.649 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.461 21.142 1.067 1.00 0.00 H new ATOM 829 N TRP A 56 -14.260 19.416 5.500 1.00 0.00 N ATOM 830 CA TRP A 56 -14.809 18.074 5.660 1.00 0.00 C ATOM 831 C TRP A 56 -16.141 18.116 6.401 1.00 0.00 C ATOM 832 O TRP A 56 -17.116 17.495 5.978 1.00 0.00 O ATOM 833 CB TRP A 56 -13.820 17.183 6.414 1.00 0.00 C ATOM 834 CG TRP A 56 -14.431 15.910 6.915 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.059 15.718 8.113 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.470 14.652 6.234 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.486 14.416 8.217 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.138 13.742 7.076 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.008 14.205 4.992 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.352 12.414 6.717 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.222 12.887 4.637 1.00 0.00 C ATOM 842 CH2 TRP A 56 -14.889 12.004 5.496 1.00 0.00 C ATOM 0 H TRP A 56 -13.306 19.525 5.844 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.979 17.657 4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.984 16.943 5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.412 17.739 7.258 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.199 16.478 8.868 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -15.981 14.016 9.014 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.493 14.878 4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -15.865 11.732 7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.869 12.531 3.680 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.041 10.980 5.189 1.00 0.00 H new ATOM 853 N ASP A 57 -16.176 18.852 7.506 1.00 0.00 N ATOM 854 CA ASP A 57 -17.390 18.975 8.305 1.00 0.00 C ATOM 855 C ASP A 57 -18.530 19.557 7.475 1.00 0.00 C ATOM 856 O ASP A 57 -19.698 19.449 7.844 1.00 0.00 O ATOM 857 CB ASP A 57 -17.133 19.856 9.529 1.00 0.00 C ATOM 858 CG ASP A 57 -17.802 19.319 10.779 1.00 0.00 C ATOM 859 OD1 ASP A 57 -19.017 19.033 10.725 1.00 0.00 O ATOM 860 OD2 ASP A 57 -17.111 19.185 11.810 1.00 0.00 O ATOM 0 H ASP A 57 -15.378 19.373 7.869 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.679 17.978 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.059 19.932 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.497 20.864 9.330 1.00 0.00 H new ATOM 865 N GLY A 58 -18.181 20.175 6.350 1.00 0.00 N ATOM 866 CA GLY A 58 -19.186 20.765 5.486 1.00 0.00 C ATOM 867 C GLY A 58 -19.216 20.127 4.111 1.00 0.00 C ATOM 868 O GLY A 58 -19.703 20.725 3.151 1.00 0.00 O ATOM 0 H GLY A 58 -17.220 20.277 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.166 20.663 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.991 21.833 5.384 1.00 0.00 H new ATOM 872 N LEU A 59 -18.695 18.909 4.015 1.00 0.00 N ATOM 873 CA LEU A 59 -18.663 18.188 2.748 1.00 0.00 C ATOM 874 C LEU A 59 -20.010 17.532 2.459 1.00 0.00 C ATOM 875 O LEU A 59 -20.852 17.405 3.347 1.00 0.00 O ATOM 876 CB LEU A 59 -17.561 17.127 2.769 1.00 0.00 C ATOM 877 CG LEU A 59 -16.502 17.237 1.671 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.550 18.386 1.960 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.737 15.929 1.536 1.00 0.00 C ATOM 0 H LEU A 59 -18.289 18.400 4.800 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.452 18.907 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -17.059 17.172 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -18.028 16.145 2.698 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.006 17.440 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.804 18.448 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.110 19.320 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -15.052 18.215 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.988 16.025 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.245 15.696 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.430 15.127 1.281 1.00 0.00 H new ATOM 891 N GLY A 60 -20.205 17.116 1.212 1.00 0.00 N ATOM 892 CA GLY A 60 -21.450 16.477 0.829 1.00 0.00 C ATOM 893 C GLY A 60 -21.551 15.053 1.339 1.00 0.00 C ATOM 894 O GLY A 60 -20.610 14.271 1.205 1.00 0.00 O ATOM 0 H GLY A 60 -19.523 17.210 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.287 17.058 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.536 16.478 -0.258 1.00 0.00 H new ATOM 898 N GLU A 61 -22.695 14.716 1.927 1.00 0.00 N ATOM 899 CA GLU A 61 -22.913 13.377 2.461 1.00 0.00 C ATOM 900 C GLU A 61 -22.366 12.316 1.509 1.00 0.00 C ATOM 901 O GLU A 61 -21.950 11.240 1.937 1.00 0.00 O ATOM 902 CB GLU A 61 -24.405 13.138 2.705 1.00 0.00 C ATOM 903 CG GLU A 61 -24.690 12.232 3.891 1.00 0.00 C ATOM 904 CD GLU A 61 -25.873 11.314 3.653 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.940 11.815 3.241 1.00 0.00 O ATOM 906 OE2 GLU A 61 -25.731 10.094 3.879 1.00 0.00 O ATOM 0 H GLU A 61 -23.484 15.351 2.045 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.380 13.300 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.897 14.098 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.845 12.700 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.806 11.631 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.881 12.843 4.773 1.00 0.00 H new ATOM 913 N GLU A 62 -22.371 12.629 0.217 1.00 0.00 N ATOM 914 CA GLU A 62 -21.877 11.702 -0.794 1.00 0.00 C ATOM 915 C GLU A 62 -20.357 11.586 -0.729 1.00 0.00 C ATOM 916 O GLU A 62 -19.807 10.485 -0.762 1.00 0.00 O ATOM 917 CB GLU A 62 -22.305 12.161 -2.190 1.00 0.00 C ATOM 918 CG GLU A 62 -23.799 12.035 -2.440 1.00 0.00 C ATOM 919 CD GLU A 62 -24.560 13.293 -2.071 1.00 0.00 C ATOM 920 OE1 GLU A 62 -24.421 14.304 -2.790 1.00 0.00 O ATOM 921 OE2 GLU A 62 -25.295 13.266 -1.061 1.00 0.00 O ATOM 0 H GLU A 62 -22.711 13.516 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.308 10.721 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.008 13.201 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.769 11.574 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.970 11.807 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.190 11.196 -1.865 1.00 0.00 H new ATOM 928 N GLN A 63 -19.685 12.729 -0.638 1.00 0.00 N ATOM 929 CA GLN A 63 -18.229 12.755 -0.570 1.00 0.00 C ATOM 930 C GLN A 63 -17.731 12.083 0.706 1.00 0.00 C ATOM 931 O GLN A 63 -16.728 11.370 0.694 1.00 0.00 O ATOM 932 CB GLN A 63 -17.720 14.197 -0.633 1.00 0.00 C ATOM 933 CG GLN A 63 -18.126 14.930 -1.901 1.00 0.00 C ATOM 934 CD GLN A 63 -17.679 16.379 -1.905 1.00 0.00 C ATOM 935 OE1 GLN A 63 -18.502 17.294 -1.933 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.369 16.595 -1.878 1.00 0.00 N ATOM 0 H GLN A 63 -20.125 13.649 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.841 12.202 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.098 14.745 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.633 14.193 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.699 14.419 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -19.210 14.888 -2.010 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.722 15.806 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.009 17.549 -1.880 1.00 0.00 H new ATOM 945 N LYS A 64 -18.439 12.316 1.806 1.00 0.00 N ATOM 946 CA LYS A 64 -18.071 11.733 3.091 1.00 0.00 C ATOM 947 C LYS A 64 -18.174 10.212 3.047 1.00 0.00 C ATOM 948 O LYS A 64 -17.367 9.510 3.655 1.00 0.00 O ATOM 949 CB LYS A 64 -18.970 12.284 4.200 1.00 0.00 C ATOM 950 CG LYS A 64 -18.525 13.637 4.728 1.00 0.00 C ATOM 951 CD LYS A 64 -19.133 13.933 6.089 1.00 0.00 C ATOM 952 CE LYS A 64 -18.545 15.195 6.700 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.080 15.452 8.065 1.00 0.00 N ATOM 0 H LYS A 64 -19.271 12.905 1.833 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.037 12.004 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.989 12.368 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.994 11.572 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.438 13.660 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.813 14.416 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.213 14.045 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.960 13.089 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.460 15.104 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.766 16.047 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.189 16.476 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.005 14.987 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.420 15.072 8.774 1.00 0.00 H new ATOM 967 N GLN A 65 -19.170 9.711 2.324 1.00 0.00 N ATOM 968 CA GLN A 65 -19.376 8.273 2.201 1.00 0.00 C ATOM 969 C GLN A 65 -18.201 7.613 1.487 1.00 0.00 C ATOM 970 O GLN A 65 -17.452 6.840 2.085 1.00 0.00 O ATOM 971 CB GLN A 65 -20.674 7.985 1.445 1.00 0.00 C ATOM 972 CG GLN A 65 -21.920 8.467 2.171 1.00 0.00 C ATOM 973 CD GLN A 65 -22.720 7.330 2.775 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.672 6.836 2.170 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.337 6.908 3.974 1.00 0.00 N ATOM 0 H GLN A 65 -19.847 10.279 1.815 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.448 7.855 3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.627 8.461 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.755 6.911 1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.631 9.162 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -22.550 9.020 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.542 7.346 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -22.838 6.145 4.430 1.00 0.00 H new ATOM 984 N VAL A 66 -18.044 7.924 0.204 1.00 0.00 N ATOM 985 CA VAL A 66 -16.960 7.362 -0.592 1.00 0.00 C ATOM 986 C VAL A 66 -15.683 7.233 0.231 1.00 0.00 C ATOM 987 O VAL A 66 -15.051 6.177 0.255 1.00 0.00 O ATOM 988 CB VAL A 66 -16.671 8.225 -1.835 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.581 9.695 -1.456 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.392 7.763 -2.518 1.00 0.00 C ATOM 0 H VAL A 66 -18.654 8.562 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.284 6.372 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.495 8.106 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.376 10.289 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.525 10.016 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.777 9.836 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.203 8.383 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.556 7.851 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.499 6.723 -2.826 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.310 8.315 0.906 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.107 8.324 1.730 1.00 0.00 C ATOM 1002 C TYR A 67 -14.142 7.197 2.758 1.00 0.00 C ATOM 1003 O TYR A 67 -13.136 6.533 3.005 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.959 9.671 2.439 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.389 10.759 1.557 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.190 10.574 0.879 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -14.047 11.973 1.404 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.665 11.566 0.073 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.531 12.970 0.599 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.339 12.761 -0.064 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.820 13.752 -0.866 1.00 0.00 O ATOM 0 H TYR A 67 -15.823 9.197 0.899 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.249 8.169 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.935 9.987 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.315 9.545 3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.660 9.639 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.979 12.140 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.732 11.406 -0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.057 13.907 0.489 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.417 14.529 -0.854 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.311 6.987 3.356 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.481 5.940 4.356 1.00 0.00 C ATOM 1023 C LYS A 68 -15.373 4.557 3.721 1.00 0.00 C ATOM 1024 O LYS A 68 -14.601 3.713 4.175 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.836 6.088 5.053 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.048 7.451 5.687 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.131 7.355 7.201 1.00 0.00 C ATOM 1028 CE LYS A 68 -16.949 8.716 7.857 1.00 0.00 C ATOM 1029 NZ LYS A 68 -17.325 8.692 9.297 1.00 0.00 N ATOM 0 H LYS A 68 -16.154 7.528 3.165 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.685 6.044 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.630 5.906 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.925 5.321 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.229 8.114 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.965 7.895 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.096 6.938 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.366 6.669 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.910 9.031 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.557 9.455 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.187 9.637 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.323 8.416 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.728 8.005 9.800 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.150 4.333 2.667 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.140 3.054 1.967 1.00 0.00 C ATOM 1045 C LYS A 69 -14.718 2.651 1.590 1.00 0.00 C ATOM 1046 O LYS A 69 -14.323 1.497 1.756 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.010 3.130 0.710 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.211 4.048 0.857 1.00 0.00 C ATOM 1049 CD LYS A 69 -18.959 3.784 2.153 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.905 2.600 2.019 1.00 0.00 C ATOM 1051 NZ LYS A 69 -19.309 1.349 2.563 1.00 0.00 N ATOM 0 H LYS A 69 -16.795 5.021 2.278 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.547 2.298 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.399 3.475 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.358 2.128 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.882 5.087 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.884 3.906 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.245 3.592 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.524 4.672 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.835 2.817 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.158 2.455 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.971 0.559 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.417 1.146 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.122 1.467 3.579 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.951 3.611 1.083 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.571 3.358 0.684 1.00 0.00 C ATOM 1067 C LYS A 70 -11.735 2.906 1.877 1.00 0.00 C ATOM 1068 O LYS A 70 -11.122 1.838 1.851 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.959 4.616 0.066 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.550 4.980 -1.285 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.606 5.857 -2.090 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.251 7.186 -2.451 1.00 0.00 C ATOM 1073 NZ LYS A 70 -12.567 7.996 -1.242 1.00 0.00 N ATOM 0 H LYS A 70 -14.262 4.572 0.939 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.573 2.560 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.099 5.452 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.884 4.470 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.768 4.070 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.497 5.500 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.697 6.037 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.311 5.336 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.582 7.750 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.166 7.004 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.051 8.871 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.185 7.449 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.686 8.235 -0.744 1.00 0.00 H new ATOM 1087 N THR A 71 -11.715 3.725 2.924 1.00 0.00 N ATOM 1088 CA THR A 71 -10.954 3.409 4.127 1.00 0.00 C ATOM 1089 C THR A 71 -11.041 1.924 4.458 1.00 0.00 C ATOM 1090 O THR A 71 -10.085 1.334 4.961 1.00 0.00 O ATOM 1091 CB THR A 71 -11.451 4.224 5.336 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.608 5.599 4.970 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.480 4.111 6.501 1.00 0.00 C ATOM 0 H THR A 71 -12.217 4.612 2.963 1.00 0.00 H new ATOM 0 HA THR A 71 -9.916 3.672 3.923 1.00 0.00 H new ATOM 0 HB THR A 71 -12.414 3.820 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.434 5.708 4.453 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.852 4.695 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.387 3.066 6.797 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.504 4.491 6.199 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.193 1.325 4.173 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.403 -0.093 4.442 1.00 0.00 C ATOM 1103 C GLU A 72 -11.649 -0.955 3.434 1.00 0.00 C ATOM 1104 O GLU A 72 -10.930 -1.881 3.809 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.896 -0.427 4.400 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.631 -0.092 5.687 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.062 -1.329 6.451 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.243 -1.862 7.228 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.219 -1.764 6.271 1.00 0.00 O ATOM 0 H GLU A 72 -12.994 1.799 3.756 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.018 -0.309 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.358 0.116 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.016 -1.490 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.986 0.516 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.509 0.511 5.454 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.820 -0.644 2.153 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.155 -1.389 1.091 1.00 0.00 C ATOM 1118 C ALA A 73 -9.639 -1.269 1.202 1.00 0.00 C ATOM 1119 O ALA A 73 -8.908 -2.211 0.898 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.627 -0.901 -0.271 1.00 0.00 C ATOM 0 H ALA A 73 -12.413 0.119 1.826 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.418 -2.441 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.122 -1.466 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.704 -1.045 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.393 0.158 -0.379 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.173 -0.103 1.639 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.744 0.140 1.791 1.00 0.00 C ATOM 1128 C ALA A 74 -7.219 -0.465 3.089 1.00 0.00 C ATOM 1129 O ALA A 74 -6.082 -0.931 3.154 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.455 1.633 1.747 1.00 0.00 C ATOM 0 H ALA A 74 -9.765 0.688 1.894 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.228 -0.343 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.384 1.800 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.785 2.039 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.989 2.131 2.557 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.056 -0.454 4.121 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.677 -1.002 5.418 1.00 0.00 C ATOM 1138 C LYS A 75 -7.617 -2.526 5.369 1.00 0.00 C ATOM 1139 O LYS A 75 -6.584 -3.127 5.665 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.671 -0.555 6.493 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.711 -1.472 7.704 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.643 -0.685 9.002 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.888 0.165 9.203 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.583 -0.161 10.480 1.00 0.00 N ATOM 0 H LYS A 75 -9.001 -0.072 4.084 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.685 -0.625 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.412 0.452 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.668 -0.502 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.626 -2.063 7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.878 -2.173 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.531 -1.373 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.761 -0.045 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.612 1.220 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.572 0.011 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.426 0.440 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.869 -1.161 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.940 0.010 11.279 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.730 -3.145 4.992 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.804 -4.599 4.900 1.00 0.00 C ATOM 1160 C LYS A 76 -7.659 -5.150 4.057 1.00 0.00 C ATOM 1161 O LYS A 76 -7.010 -6.124 4.436 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.145 -5.025 4.299 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.977 -5.896 5.224 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.451 -5.852 4.856 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.086 -7.232 4.933 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.554 -7.181 4.691 1.00 0.00 N ATOM 0 H LYS A 76 -9.594 -2.663 4.745 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.719 -5.006 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.717 -4.134 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.962 -5.567 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.620 -6.925 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.848 -5.562 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.975 -5.171 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.564 -5.454 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.619 -7.888 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.895 -7.666 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.949 -8.141 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.003 -6.575 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.736 -6.791 3.744 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.416 -4.519 2.912 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.348 -4.947 2.016 1.00 0.00 C ATOM 1182 C GLU A 77 -4.983 -4.780 2.678 1.00 0.00 C ATOM 1183 O GLU A 77 -4.155 -5.690 2.656 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.396 -4.149 0.712 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.440 -2.968 0.685 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.412 -2.271 -0.662 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.343 -2.491 -1.464 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.457 -1.505 -0.912 1.00 0.00 O ATOM 0 H GLU A 77 -7.944 -3.710 2.583 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.497 -6.003 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.162 -4.814 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.412 -3.787 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.731 -2.252 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.436 -3.312 0.933 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.757 -3.610 3.265 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.492 -3.321 3.930 1.00 0.00 C ATOM 1197 C TYR A 78 -3.117 -4.440 4.897 1.00 0.00 C ATOM 1198 O TYR A 78 -1.959 -4.854 4.967 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.579 -1.991 4.681 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.468 -1.790 5.687 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.186 -1.446 5.278 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.702 -1.943 7.049 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.169 -1.262 6.194 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.691 -1.760 7.972 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.426 -1.420 7.540 1.00 0.00 C ATOM 1206 OH TYR A 78 0.584 -1.237 8.456 1.00 0.00 O ATOM 0 H TYR A 78 -5.433 -2.847 3.294 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.717 -3.250 3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.557 -1.174 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.538 -1.936 5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.981 -1.320 4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.691 -2.209 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.822 -0.996 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.890 -1.882 9.026 1.00 0.00 H new ATOM 0 HH TYR A 78 0.236 -1.385 9.360 1.00 0.00 H new ATOM 1216 N LEU A 79 -4.104 -4.925 5.641 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.881 -5.997 6.605 1.00 0.00 C ATOM 1218 C LEU A 79 -3.376 -7.257 5.910 1.00 0.00 C ATOM 1219 O LEU A 79 -2.477 -7.937 6.407 1.00 0.00 O ATOM 1220 CB LEU A 79 -5.172 -6.303 7.366 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.489 -5.383 8.546 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.907 -4.007 8.052 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -6.578 -5.991 9.418 1.00 0.00 C ATOM 0 H LEU A 79 -5.067 -4.593 5.596 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.121 -5.664 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.004 -6.259 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.119 -7.328 7.734 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.587 -5.272 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.129 -3.366 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.097 -3.568 7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.795 -4.099 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.791 -5.323 10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.482 -6.131 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.242 -6.955 9.801 1.00 0.00 H new