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= -0.0113 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0575! USER MOD Single : A 33 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.13) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0707) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.822 K(o=-0.82,f=-1.6) USER MOD Single : A 42 ASN : amide:sc= -0.252 K(o=-0.25,f=-1) USER MOD Single : A 44 THR OG1 : rot 56:sc= 0.0515 USER MOD Single : A 49 SER OG : rot -68:sc= 0.843 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 150:sc= -2.9! (180deg=-4.37!) USER MOD Single : A 63 GLN : amide:sc= 0.29 K(o=0.29,f=-2.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.025 (180deg=-0.249) USER MOD Single : A 69 LYS NZ :NH3+ 146:sc= -0.571 (180deg=-2.06!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 86:sc= 0.676 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 -3.376 2.982 5.426 1.00 0.00 N ATOM 307 CA PRO A 21 -4.383 3.976 5.044 1.00 0.00 C ATOM 308 C PRO A 21 -4.837 4.827 6.225 1.00 0.00 C ATOM 309 O PRO A 21 -4.558 4.502 7.379 1.00 0.00 O ATOM 310 CB PRO A 21 -5.543 3.123 4.522 1.00 0.00 C ATOM 311 CG PRO A 21 -5.384 1.809 5.206 1.00 0.00 C ATOM 312 CD PRO A 21 -3.903 1.608 5.378 1.00 0.00 C ATOM 0 HA PRO A 21 -3.996 4.687 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.506 3.578 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.498 3.013 3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.893 1.807 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.821 1.005 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.675 1.058 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.475 1.042 4.550 1.00 0.00 H new ATOM 320 N VAL A 22 -5.537 5.917 5.929 1.00 0.00 N ATOM 321 CA VAL A 22 -6.031 6.814 6.967 1.00 0.00 C ATOM 322 C VAL A 22 -7.554 6.802 7.025 1.00 0.00 C ATOM 323 O VAL A 22 -8.221 6.529 6.027 1.00 0.00 O ATOM 324 CB VAL A 22 -5.548 8.258 6.737 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.040 8.292 6.537 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.266 8.877 5.548 1.00 0.00 C ATOM 0 H VAL A 22 -5.775 6.201 4.979 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.632 6.452 7.914 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.786 8.847 7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.717 9.321 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.546 7.891 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.774 7.688 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.912 9.897 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.062 8.289 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.339 8.889 5.737 1.00 0.00 H new ATOM 336 N SER A 23 -8.099 7.100 8.200 1.00 0.00 N ATOM 337 CA SER A 23 -9.544 7.121 8.390 1.00 0.00 C ATOM 338 C SER A 23 -10.233 7.850 7.240 1.00 0.00 C ATOM 339 O SER A 23 -9.579 8.488 6.415 1.00 0.00 O ATOM 340 CB SER A 23 -9.896 7.793 9.718 1.00 0.00 C ATOM 341 OG SER A 23 -10.657 6.926 10.542 1.00 0.00 O ATOM 0 H SER A 23 -7.561 7.330 9.035 1.00 0.00 H new ATOM 0 HA SER A 23 -9.898 6.090 8.408 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.982 8.083 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.459 8.707 9.529 1.00 0.00 H new ATOM 0 HG SER A 23 -10.868 7.378 11.386 1.00 0.00 H new ATOM 347 N ALA A 24 -11.557 7.748 7.191 1.00 0.00 N ATOM 348 CA ALA A 24 -12.335 8.399 6.145 1.00 0.00 C ATOM 349 C ALA A 24 -12.067 9.900 6.114 1.00 0.00 C ATOM 350 O ALA A 24 -11.641 10.444 5.095 1.00 0.00 O ATOM 351 CB ALA A 24 -13.819 8.130 6.346 1.00 0.00 C ATOM 0 H ALA A 24 -12.113 7.220 7.864 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.028 7.982 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.388 8.622 5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.002 7.056 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.131 8.519 7.315 1.00 0.00 H new ATOM 357 N TYR A 25 -12.320 10.564 7.236 1.00 0.00 N ATOM 358 CA TYR A 25 -12.109 12.004 7.336 1.00 0.00 C ATOM 359 C TYR A 25 -10.637 12.353 7.141 1.00 0.00 C ATOM 360 O TYR A 25 -10.295 13.493 6.827 1.00 0.00 O ATOM 361 CB TYR A 25 -12.591 12.517 8.694 1.00 0.00 C ATOM 362 CG TYR A 25 -11.969 13.835 9.098 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.000 14.931 8.246 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.350 13.983 10.334 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.432 16.136 8.611 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.780 15.185 10.708 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.824 16.258 9.843 1.00 0.00 C ATOM 368 OH TYR A 25 -10.258 17.457 10.211 1.00 0.00 O ATOM 0 H TYR A 25 -12.671 10.129 8.089 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.686 12.487 6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.675 12.629 8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.367 11.770 9.456 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.477 14.840 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.314 13.144 11.013 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.464 16.978 7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.303 15.283 11.672 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.873 17.375 11.108 1.00 0.00 H new ATOM 378 N ALA A 26 -9.771 11.363 7.327 1.00 0.00 N ATOM 379 CA ALA A 26 -8.336 11.564 7.169 1.00 0.00 C ATOM 380 C ALA A 26 -7.931 11.501 5.700 1.00 0.00 C ATOM 381 O ALA A 26 -7.027 12.215 5.264 1.00 0.00 O ATOM 382 CB ALA A 26 -7.566 10.527 7.975 1.00 0.00 C ATOM 0 H ALA A 26 -10.038 10.414 7.587 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.090 12.557 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.496 10.689 7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.824 10.621 9.030 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.826 9.528 7.625 1.00 0.00 H new ATOM 388 N LEU A 27 -8.605 10.643 4.942 1.00 0.00 N ATOM 389 CA LEU A 27 -8.315 10.487 3.521 1.00 0.00 C ATOM 390 C LEU A 27 -8.497 11.808 2.780 1.00 0.00 C ATOM 391 O LEU A 27 -7.821 12.072 1.785 1.00 0.00 O ATOM 392 CB LEU A 27 -9.221 9.417 2.910 1.00 0.00 C ATOM 393 CG LEU A 27 -8.586 8.043 2.695 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.635 6.947 2.808 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.892 7.982 1.342 1.00 0.00 C ATOM 0 H LEU A 27 -9.356 10.045 5.287 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.276 10.175 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.092 9.296 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.584 9.782 1.949 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.838 7.884 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.165 5.976 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.087 6.977 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.406 7.102 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.446 6.997 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.620 8.163 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.112 8.743 1.298 1.00 0.00 H new ATOM 407 N PHE A 28 -9.413 12.635 3.272 1.00 0.00 N ATOM 408 CA PHE A 28 -9.683 13.930 2.657 1.00 0.00 C ATOM 409 C PHE A 28 -8.726 14.994 3.187 1.00 0.00 C ATOM 410 O PHE A 28 -8.565 16.055 2.585 1.00 0.00 O ATOM 411 CB PHE A 28 -11.130 14.351 2.921 1.00 0.00 C ATOM 412 CG PHE A 28 -11.390 15.805 2.649 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.353 16.299 1.355 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.672 16.679 3.687 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.591 17.636 1.101 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.911 18.018 3.440 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.871 18.497 2.145 1.00 0.00 C ATOM 0 H PHE A 28 -9.981 12.432 4.095 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.530 13.833 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.794 13.749 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.380 14.133 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.135 15.631 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.705 16.309 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.558 18.008 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.129 18.688 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.058 19.542 1.949 1.00 0.00 H new ATOM 427 N PHE A 29 -8.094 14.702 4.320 1.00 0.00 N ATOM 428 CA PHE A 29 -7.155 15.633 4.933 1.00 0.00 C ATOM 429 C PHE A 29 -5.814 15.612 4.204 1.00 0.00 C ATOM 430 O PHE A 29 -5.142 16.637 4.090 1.00 0.00 O ATOM 431 CB PHE A 29 -6.951 15.287 6.409 1.00 0.00 C ATOM 432 CG PHE A 29 -5.909 16.132 7.085 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.561 15.862 6.912 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.277 17.196 7.893 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.599 16.638 7.532 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.320 17.975 8.515 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.980 17.695 8.335 1.00 0.00 C ATOM 0 H PHE A 29 -8.216 13.828 4.831 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.575 16.636 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.898 15.403 6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.666 14.238 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.258 15.036 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.324 17.419 8.038 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.551 16.418 7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.620 18.802 9.141 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.231 18.302 8.822 1.00 0.00 H new ATOM 447 N ARG A 30 -5.433 14.438 3.713 1.00 0.00 N ATOM 448 CA ARG A 30 -4.172 14.282 2.998 1.00 0.00 C ATOM 449 C ARG A 30 -4.329 14.669 1.530 1.00 0.00 C ATOM 450 O ARG A 30 -3.357 15.025 0.864 1.00 0.00 O ATOM 451 CB ARG A 30 -3.675 12.839 3.105 1.00 0.00 C ATOM 452 CG ARG A 30 -4.671 11.812 2.592 1.00 0.00 C ATOM 453 CD ARG A 30 -4.185 10.392 2.838 1.00 0.00 C ATOM 454 NE ARG A 30 -3.247 9.949 1.810 1.00 0.00 N ATOM 455 CZ ARG A 30 -1.944 10.205 1.845 1.00 0.00 C ATOM 456 NH1 ARG A 30 -1.427 10.897 2.851 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.154 9.768 0.872 1.00 0.00 N ATOM 0 H ARG A 30 -5.979 13.581 3.797 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.439 14.946 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.745 12.742 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.444 12.620 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.632 11.959 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.833 11.962 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.705 10.337 3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.040 9.716 2.865 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.612 9.414 1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.030 11.234 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.426 11.092 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.547 9.235 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.154 9.965 0.900 1.00 0.00 H new ATOM 471 N ASP A 31 -5.559 14.596 1.033 1.00 0.00 N ATOM 472 CA ASP A 31 -5.843 14.940 -0.356 1.00 0.00 C ATOM 473 C ASP A 31 -5.997 16.448 -0.522 1.00 0.00 C ATOM 474 O ASP A 31 -5.705 17.000 -1.583 1.00 0.00 O ATOM 475 CB ASP A 31 -7.113 14.230 -0.829 1.00 0.00 C ATOM 476 CG ASP A 31 -6.872 13.369 -2.053 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.765 12.803 -2.173 1.00 0.00 O ATOM 478 OD2 ASP A 31 -7.792 13.259 -2.891 1.00 0.00 O ATOM 0 H ASP A 31 -6.375 14.302 1.570 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.002 14.610 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.501 13.609 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.878 14.973 -1.055 1.00 0.00 H new ATOM 483 N THR A 32 -6.459 17.111 0.534 1.00 0.00 N ATOM 484 CA THR A 32 -6.654 18.555 0.505 1.00 0.00 C ATOM 485 C THR A 32 -5.460 19.283 1.110 1.00 0.00 C ATOM 486 O THR A 32 -4.983 20.275 0.559 1.00 0.00 O ATOM 487 CB THR A 32 -7.930 18.965 1.264 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.007 18.085 0.924 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.317 20.399 0.937 1.00 0.00 C ATOM 0 H THR A 32 -6.705 16.670 1.420 1.00 0.00 H new ATOM 0 HA THR A 32 -6.756 18.839 -0.542 1.00 0.00 H new ATOM 0 HB THR A 32 -7.728 18.895 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.814 18.351 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.221 20.666 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.507 21.069 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.501 20.491 -0.133 1.00 0.00 H new ATOM 497 N GLN A 33 -4.981 18.784 2.245 1.00 0.00 N ATOM 498 CA GLN A 33 -3.842 19.389 2.924 1.00 0.00 C ATOM 499 C GLN A 33 -2.841 19.947 1.918 1.00 0.00 C ATOM 500 O GLN A 33 -2.517 21.134 1.943 1.00 0.00 O ATOM 501 CB GLN A 33 -3.156 18.362 3.828 1.00 0.00 C ATOM 502 CG GLN A 33 -1.721 18.722 4.178 1.00 0.00 C ATOM 503 CD GLN A 33 -0.710 17.824 3.492 1.00 0.00 C ATOM 504 OE1 GLN A 33 0.294 18.295 2.957 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.970 16.522 3.505 1.00 0.00 N ATOM 0 H GLN A 33 -5.364 17.963 2.713 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.211 20.212 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.731 18.259 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.168 17.390 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.531 19.758 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.587 18.655 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.814 16.175 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.325 15.869 3.060 1.00 0.00 H new ATOM 514 N ALA A 34 -2.355 19.083 1.033 1.00 0.00 N ATOM 515 CA ALA A 34 -1.393 19.490 0.016 1.00 0.00 C ATOM 516 C ALA A 34 -1.843 20.767 -0.685 1.00 0.00 C ATOM 517 O ALA A 34 -1.055 21.693 -0.874 1.00 0.00 O ATOM 518 CB ALA A 34 -1.190 18.373 -0.996 1.00 0.00 C ATOM 0 H ALA A 34 -2.612 18.096 1.000 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.443 19.694 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.469 18.691 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.815 17.485 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.140 18.141 -1.478 1.00 0.00 H new ATOM 524 N ALA A 35 -3.114 20.809 -1.071 1.00 0.00 N ATOM 525 CA ALA A 35 -3.669 21.973 -1.750 1.00 0.00 C ATOM 526 C ALA A 35 -3.618 23.207 -0.856 1.00 0.00 C ATOM 527 O ALA A 35 -3.320 24.308 -1.318 1.00 0.00 O ATOM 528 CB ALA A 35 -5.098 21.696 -2.190 1.00 0.00 C ATOM 0 H ALA A 35 -3.779 20.050 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.061 22.171 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.500 22.574 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.110 20.847 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.710 21.468 -1.317 1.00 0.00 H new ATOM 534 N ILE A 36 -3.912 23.015 0.426 1.00 0.00 N ATOM 535 CA ILE A 36 -3.900 24.113 1.385 1.00 0.00 C ATOM 536 C ILE A 36 -2.487 24.650 1.588 1.00 0.00 C ATOM 537 O ILE A 36 -2.204 25.811 1.294 1.00 0.00 O ATOM 538 CB ILE A 36 -4.472 23.677 2.747 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.742 22.847 2.549 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.757 24.894 3.615 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.789 23.537 1.703 1.00 0.00 C ATOM 0 H ILE A 36 -4.161 22.110 0.824 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.530 24.901 0.971 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.732 23.058 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.477 21.898 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.170 22.614 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.161 24.570 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.833 25.449 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.482 25.536 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.661 22.891 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.082 24.473 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.379 23.745 0.715 1.00 0.00 H new ATOM 553 N LYS A 37 -1.602 23.795 2.090 1.00 0.00 N ATOM 554 CA LYS A 37 -0.216 24.181 2.329 1.00 0.00 C ATOM 555 C LYS A 37 0.393 24.821 1.086 1.00 0.00 C ATOM 556 O LYS A 37 1.105 25.821 1.176 1.00 0.00 O ATOM 557 CB LYS A 37 0.610 22.961 2.745 1.00 0.00 C ATOM 558 CG LYS A 37 1.435 23.185 4.000 1.00 0.00 C ATOM 559 CD LYS A 37 2.483 24.266 3.794 1.00 0.00 C ATOM 560 CE LYS A 37 3.854 23.812 4.270 1.00 0.00 C ATOM 561 NZ LYS A 37 4.947 24.371 3.427 1.00 0.00 N ATOM 0 H LYS A 37 -1.820 22.830 2.339 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.203 24.913 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.060 22.117 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.276 22.687 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.778 23.466 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.923 22.254 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.533 24.529 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.189 25.166 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.000 24.121 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.902 22.723 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.851 23.934 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.750 24.170 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.004 25.400 3.569 1.00 0.00 H new ATOM 575 N GLY A 38 0.109 24.238 -0.075 1.00 0.00 N ATOM 576 CA GLY A 38 0.636 24.766 -1.319 1.00 0.00 C ATOM 577 C GLY A 38 0.326 26.238 -1.502 1.00 0.00 C ATOM 578 O GLY A 38 1.195 27.018 -1.892 1.00 0.00 O ATOM 0 H GLY A 38 -0.477 23.409 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.716 24.620 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.219 24.204 -2.154 1.00 0.00 H new ATOM 582 N GLN A 39 -0.916 26.619 -1.220 1.00 0.00 N ATOM 583 CA GLN A 39 -1.338 28.008 -1.358 1.00 0.00 C ATOM 584 C GLN A 39 -0.944 28.822 -0.129 1.00 0.00 C ATOM 585 O GLN A 39 -0.949 30.051 -0.160 1.00 0.00 O ATOM 586 CB GLN A 39 -2.851 28.085 -1.571 1.00 0.00 C ATOM 587 CG GLN A 39 -3.259 28.108 -3.035 1.00 0.00 C ATOM 588 CD GLN A 39 -4.731 28.417 -3.226 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.119 29.575 -3.383 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.560 27.380 -3.212 1.00 0.00 N ATOM 0 H GLN A 39 -1.647 25.986 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.834 28.429 -2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.322 27.231 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.233 28.981 -1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.664 28.853 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.033 27.142 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.195 26.437 -3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.562 27.526 -3.334 1.00 0.00 H new ATOM 599 N ASN A 40 -0.603 28.126 0.951 1.00 0.00 N ATOM 600 CA ASN A 40 -0.207 28.784 2.190 1.00 0.00 C ATOM 601 C ASN A 40 0.909 28.010 2.884 1.00 0.00 C ATOM 602 O ASN A 40 0.675 27.224 3.803 1.00 0.00 O ATOM 603 CB ASN A 40 -1.409 28.918 3.127 1.00 0.00 C ATOM 604 CG ASN A 40 -2.711 29.108 2.374 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.906 30.114 1.692 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.610 28.139 2.494 1.00 0.00 N ATOM 0 H ASN A 40 -0.593 27.107 0.993 1.00 0.00 H new ATOM 0 HA ASN A 40 0.165 29.778 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.480 28.027 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.252 29.764 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.505 28.211 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.406 27.322 3.070 1.00 0.00 H new ATOM 613 N PRO A 41 2.153 28.236 2.437 1.00 0.00 N ATOM 614 CA PRO A 41 3.331 27.570 3.001 1.00 0.00 C ATOM 615 C PRO A 41 3.647 28.050 4.414 1.00 0.00 C ATOM 616 O PRO A 41 4.526 27.507 5.082 1.00 0.00 O ATOM 617 CB PRO A 41 4.455 27.962 2.039 1.00 0.00 C ATOM 618 CG PRO A 41 4.005 29.246 1.433 1.00 0.00 C ATOM 619 CD PRO A 41 2.506 29.159 1.345 1.00 0.00 C ATOM 0 HA PRO A 41 3.186 26.494 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.402 28.083 2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.609 27.197 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.311 30.095 2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.446 29.388 0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.038 30.135 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.182 28.778 0.376 1.00 0.00 H new ATOM 627 N ASN A 42 2.924 29.072 4.862 1.00 0.00 N ATOM 628 CA ASN A 42 3.128 29.625 6.196 1.00 0.00 C ATOM 629 C ASN A 42 2.360 28.822 7.241 1.00 0.00 C ATOM 630 O ASN A 42 2.651 28.898 8.434 1.00 0.00 O ATOM 631 CB ASN A 42 2.687 31.089 6.236 1.00 0.00 C ATOM 632 CG ASN A 42 2.726 31.667 7.638 1.00 0.00 C ATOM 633 OD1 ASN A 42 3.622 31.359 8.424 1.00 0.00 O ATOM 634 ND2 ASN A 42 1.750 32.509 7.958 1.00 0.00 N ATOM 0 H ASN A 42 2.192 29.533 4.321 1.00 0.00 H new ATOM 0 HA ASN A 42 4.191 29.566 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.333 31.678 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.675 31.172 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.723 32.929 8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.028 32.736 7.275 1.00 0.00 H new ATOM 641 N ALA A 43 1.378 28.053 6.784 1.00 0.00 N ATOM 642 CA ALA A 43 0.569 27.234 7.678 1.00 0.00 C ATOM 643 C ALA A 43 1.415 26.159 8.354 1.00 0.00 C ATOM 644 O ALA A 43 1.900 25.235 7.701 1.00 0.00 O ATOM 645 CB ALA A 43 -0.583 26.598 6.915 1.00 0.00 C ATOM 0 H ALA A 43 1.123 27.980 5.799 1.00 0.00 H new ATOM 0 HA ALA A 43 0.162 27.882 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.178 25.989 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.210 27.379 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.188 25.969 6.117 1.00 0.00 H new ATOM 651 N THR A 44 1.589 26.287 9.666 1.00 0.00 N ATOM 652 CA THR A 44 2.378 25.329 10.429 1.00 0.00 C ATOM 653 C THR A 44 1.521 24.156 10.891 1.00 0.00 C ATOM 654 O THR A 44 1.153 24.066 12.063 1.00 0.00 O ATOM 655 CB THR A 44 3.029 25.990 11.659 1.00 0.00 C ATOM 656 OG1 THR A 44 2.084 26.843 12.315 1.00 0.00 O ATOM 657 CG2 THR A 44 4.253 26.798 11.254 1.00 0.00 C ATOM 0 H THR A 44 1.194 27.045 10.222 1.00 0.00 H new ATOM 0 HA THR A 44 3.161 24.964 9.765 1.00 0.00 H new ATOM 0 HB THR A 44 3.343 25.202 12.344 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.282 26.328 12.544 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.696 27.255 12.139 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.983 26.141 10.781 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.958 27.578 10.551 1.00 0.00 H new ATOM 665 N PHE A 45 1.206 23.257 9.964 1.00 0.00 N ATOM 666 CA PHE A 45 0.392 22.089 10.277 1.00 0.00 C ATOM 667 C PHE A 45 -0.933 22.503 10.911 1.00 0.00 C ATOM 668 O PHE A 45 -1.946 22.638 10.227 1.00 0.00 O ATOM 669 CB PHE A 45 1.149 21.150 11.218 1.00 0.00 C ATOM 670 CG PHE A 45 2.020 20.158 10.502 1.00 0.00 C ATOM 671 CD1 PHE A 45 1.460 19.179 9.697 1.00 0.00 C ATOM 672 CD2 PHE A 45 3.399 20.203 10.635 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.258 18.264 9.036 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.202 19.292 9.976 1.00 0.00 C ATOM 675 CZ PHE A 45 3.631 18.320 9.177 1.00 0.00 C ATOM 0 H PHE A 45 1.502 23.315 8.990 1.00 0.00 H new ATOM 0 HA PHE A 45 0.181 21.565 9.345 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.767 21.744 11.892 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.431 20.611 11.836 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.387 19.130 9.585 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.851 20.959 11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.809 17.507 8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.275 19.340 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.257 17.605 8.664 1.00 0.00 H new ATOM 685 N GLY A 46 -0.916 22.704 12.226 1.00 0.00 N ATOM 686 CA GLY A 46 -2.121 23.100 12.931 1.00 0.00 C ATOM 687 C GLY A 46 -2.995 24.027 12.111 1.00 0.00 C ATOM 688 O GLY A 46 -4.220 23.988 12.214 1.00 0.00 O ATOM 0 H GLY A 46 -0.090 22.600 12.815 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.691 22.210 13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.847 23.594 13.863 1.00 0.00 H new ATOM 692 N GLU A 47 -2.363 24.866 11.295 1.00 0.00 N ATOM 693 CA GLU A 47 -3.092 25.809 10.456 1.00 0.00 C ATOM 694 C GLU A 47 -3.767 25.092 9.291 1.00 0.00 C ATOM 695 O GLU A 47 -4.992 25.108 9.162 1.00 0.00 O ATOM 696 CB GLU A 47 -2.148 26.890 9.925 1.00 0.00 C ATOM 697 CG GLU A 47 -2.349 28.248 10.577 1.00 0.00 C ATOM 698 CD GLU A 47 -3.291 29.138 9.791 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.481 28.781 9.668 1.00 0.00 O ATOM 700 OE2 GLU A 47 -2.838 30.193 9.299 1.00 0.00 O ATOM 0 H GLU A 47 -1.349 24.911 11.198 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.863 26.278 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.118 26.570 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.291 26.988 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.742 28.109 11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.384 28.745 10.677 1.00 0.00 H new ATOM 707 N VAL A 48 -2.960 24.462 8.443 1.00 0.00 N ATOM 708 CA VAL A 48 -3.478 23.738 7.288 1.00 0.00 C ATOM 709 C VAL A 48 -4.641 22.835 7.683 1.00 0.00 C ATOM 710 O VAL A 48 -5.549 22.591 6.887 1.00 0.00 O ATOM 711 CB VAL A 48 -2.382 22.884 6.623 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.001 21.831 5.717 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.417 23.767 5.847 1.00 0.00 C ATOM 0 H VAL A 48 -1.944 24.438 8.534 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.827 24.486 6.576 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.821 22.371 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.211 21.238 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.648 21.180 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.588 22.320 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.649 23.147 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.961 24.309 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.948 24.478 6.527 1.00 0.00 H new ATOM 723 N SER A 49 -4.608 22.341 8.916 1.00 0.00 N ATOM 724 CA SER A 49 -5.658 21.462 9.416 1.00 0.00 C ATOM 725 C SER A 49 -6.924 22.252 9.731 1.00 0.00 C ATOM 726 O SER A 49 -7.980 22.017 9.143 1.00 0.00 O ATOM 727 CB SER A 49 -5.181 20.722 10.667 1.00 0.00 C ATOM 728 OG SER A 49 -3.912 20.126 10.454 1.00 0.00 O ATOM 0 H SER A 49 -3.865 22.535 9.588 1.00 0.00 H new ATOM 0 HA SER A 49 -5.889 20.734 8.638 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.124 21.417 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.906 19.955 10.938 1.00 0.00 H new ATOM 0 HG SER A 49 -3.998 19.397 9.805 1.00 0.00 H new ATOM 734 N LYS A 50 -6.811 23.192 10.664 1.00 0.00 N ATOM 735 CA LYS A 50 -7.944 24.020 11.058 1.00 0.00 C ATOM 736 C LYS A 50 -8.855 24.300 9.867 1.00 0.00 C ATOM 737 O LYS A 50 -10.078 24.328 10.002 1.00 0.00 O ATOM 738 CB LYS A 50 -7.454 25.338 11.660 1.00 0.00 C ATOM 739 CG LYS A 50 -8.025 25.628 13.038 1.00 0.00 C ATOM 740 CD LYS A 50 -9.119 26.680 12.978 1.00 0.00 C ATOM 741 CE LYS A 50 -9.792 26.862 14.330 1.00 0.00 C ATOM 742 NZ LYS A 50 -10.249 28.264 14.538 1.00 0.00 N ATOM 0 H LYS A 50 -5.945 23.399 11.161 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.516 23.475 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.366 25.316 11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.717 26.155 10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.425 24.710 13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.228 25.968 13.699 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.695 27.629 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.863 26.391 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.645 26.187 14.405 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.096 26.586 15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.702 28.347 15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.432 28.906 14.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.932 28.520 13.797 1.00 0.00 H new ATOM 756 N ILE A 51 -8.250 24.505 8.702 1.00 0.00 N ATOM 757 CA ILE A 51 -9.007 24.780 7.487 1.00 0.00 C ATOM 758 C ILE A 51 -9.725 23.529 6.992 1.00 0.00 C ATOM 759 O ILE A 51 -10.941 23.535 6.795 1.00 0.00 O ATOM 760 CB ILE A 51 -8.097 25.313 6.365 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.352 26.564 6.834 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.914 25.614 5.117 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.893 26.584 6.436 1.00 0.00 C ATOM 0 H ILE A 51 -7.238 24.486 8.574 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.743 25.543 7.740 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.363 24.546 6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.844 27.445 6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.425 26.635 7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.256 25.990 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.403 24.702 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.669 26.366 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.429 27.500 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.386 25.722 6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.812 26.545 5.350 1.00 0.00 H new ATOM 775 N VAL A 52 -8.966 22.456 6.794 1.00 0.00 N ATOM 776 CA VAL A 52 -9.530 21.196 6.325 1.00 0.00 C ATOM 777 C VAL A 52 -10.708 20.765 7.191 1.00 0.00 C ATOM 778 O VAL A 52 -11.757 20.374 6.681 1.00 0.00 O ATOM 779 CB VAL A 52 -8.473 20.076 6.320 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.114 18.738 5.984 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.356 20.402 5.339 1.00 0.00 C ATOM 0 H VAL A 52 -7.958 22.434 6.951 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.876 21.364 5.305 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.040 20.004 7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.352 17.959 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.875 18.502 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.575 18.793 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.618 19.600 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.770 20.502 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.879 21.338 5.629 1.00 0.00 H new ATOM 791 N ALA A 53 -10.526 20.839 8.506 1.00 0.00 N ATOM 792 CA ALA A 53 -11.575 20.459 9.444 1.00 0.00 C ATOM 793 C ALA A 53 -12.906 21.103 9.071 1.00 0.00 C ATOM 794 O ALA A 53 -13.966 20.501 9.239 1.00 0.00 O ATOM 795 CB ALA A 53 -11.179 20.843 10.862 1.00 0.00 C ATOM 0 H ALA A 53 -9.663 21.158 8.945 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.699 19.377 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.971 20.553 11.552 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.256 20.330 11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.025 21.921 10.918 1.00 0.00 H new ATOM 801 N SER A 54 -12.842 22.330 8.564 1.00 0.00 N ATOM 802 CA SER A 54 -14.043 23.057 8.171 1.00 0.00 C ATOM 803 C SER A 54 -14.521 22.613 6.792 1.00 0.00 C ATOM 804 O SER A 54 -15.709 22.692 6.479 1.00 0.00 O ATOM 805 CB SER A 54 -13.775 24.564 8.169 1.00 0.00 C ATOM 806 OG SER A 54 -14.511 25.214 9.191 1.00 0.00 O ATOM 0 H SER A 54 -11.972 22.841 8.416 1.00 0.00 H new ATOM 0 HA SER A 54 -14.825 22.835 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.710 24.747 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.044 24.983 7.200 1.00 0.00 H new ATOM 0 HG SER A 54 -14.321 26.175 9.170 1.00 0.00 H new ATOM 812 N MET A 55 -13.586 22.146 5.971 1.00 0.00 N ATOM 813 CA MET A 55 -13.911 21.687 4.625 1.00 0.00 C ATOM 814 C MET A 55 -14.717 20.393 4.671 1.00 0.00 C ATOM 815 O MET A 55 -15.755 20.274 4.021 1.00 0.00 O ATOM 816 CB MET A 55 -12.632 21.477 3.812 1.00 0.00 C ATOM 817 CG MET A 55 -11.774 22.726 3.695 1.00 0.00 C ATOM 818 SD MET A 55 -10.178 22.402 2.921 1.00 0.00 S ATOM 819 CE MET A 55 -10.630 22.430 1.188 1.00 0.00 C ATOM 0 H MET A 55 -12.598 22.075 6.214 1.00 0.00 H new ATOM 0 HA MET A 55 -14.517 22.454 4.143 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.044 20.684 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.899 21.135 2.812 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.309 23.477 3.114 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.613 23.146 4.688 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.782 22.775 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.911 21.426 0.869 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.473 23.106 1.043 1.00 0.00 H new ATOM 829 N TRP A 56 -14.231 19.427 5.443 1.00 0.00 N ATOM 830 CA TRP A 56 -14.907 18.141 5.573 1.00 0.00 C ATOM 831 C TRP A 56 -16.299 18.315 6.170 1.00 0.00 C ATOM 832 O TRP A 56 -17.276 17.763 5.663 1.00 0.00 O ATOM 833 CB TRP A 56 -14.081 17.193 6.443 1.00 0.00 C ATOM 834 CG TRP A 56 -14.854 16.003 6.925 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.642 15.933 8.038 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.911 14.711 6.310 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.185 14.677 8.152 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.753 13.908 7.103 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.335 14.156 5.164 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -16.030 12.581 6.787 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.610 12.838 4.852 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.452 12.063 5.660 1.00 0.00 C ATOM 0 H TRP A 56 -13.373 19.510 5.988 1.00 0.00 H new ATOM 0 HA TRP A 56 -15.011 17.711 4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.217 16.850 5.874 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.699 17.742 7.304 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.813 16.746 8.728 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.809 14.367 8.897 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.687 14.746 4.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.678 11.982 7.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.168 12.398 3.970 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.649 11.036 5.388 1.00 0.00 H new ATOM 853 N ASP A 57 -16.383 19.087 7.248 1.00 0.00 N ATOM 854 CA ASP A 57 -17.657 19.335 7.913 1.00 0.00 C ATOM 855 C ASP A 57 -18.698 19.846 6.921 1.00 0.00 C ATOM 856 O ASP A 57 -19.898 19.804 7.189 1.00 0.00 O ATOM 857 CB ASP A 57 -17.476 20.345 9.047 1.00 0.00 C ATOM 858 CG ASP A 57 -17.566 19.701 10.416 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.664 19.231 10.781 1.00 0.00 O ATOM 860 OD2 ASP A 57 -16.537 19.666 11.123 1.00 0.00 O ATOM 0 H ASP A 57 -15.584 19.552 7.680 1.00 0.00 H new ATOM 0 HA ASP A 57 -18.011 18.392 8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.508 20.835 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.237 21.121 8.963 1.00 0.00 H new ATOM 865 N GLY A 58 -18.228 20.329 5.775 1.00 0.00 N ATOM 866 CA GLY A 58 -19.131 20.842 4.761 1.00 0.00 C ATOM 867 C GLY A 58 -19.011 20.096 3.447 1.00 0.00 C ATOM 868 O GLY A 58 -19.317 20.640 2.385 1.00 0.00 O ATOM 0 H GLY A 58 -17.239 20.374 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.157 20.771 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.924 21.899 4.595 1.00 0.00 H new ATOM 872 N LEU A 59 -18.564 18.847 3.516 1.00 0.00 N ATOM 873 CA LEU A 59 -18.402 18.025 2.322 1.00 0.00 C ATOM 874 C LEU A 59 -19.711 17.330 1.959 1.00 0.00 C ATOM 875 O LEU A 59 -20.541 17.055 2.824 1.00 0.00 O ATOM 876 CB LEU A 59 -17.302 16.984 2.540 1.00 0.00 C ATOM 877 CG LEU A 59 -16.226 16.909 1.457 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.109 17.901 1.744 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.672 15.495 1.354 1.00 0.00 C ATOM 0 H LEU A 59 -18.307 18.381 4.386 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.117 18.678 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.816 17.192 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.770 16.003 2.628 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.680 17.171 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.352 17.833 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.517 18.912 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.656 17.670 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.907 15.460 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.234 15.205 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.478 14.806 1.101 1.00 0.00 H new ATOM 891 N GLY A 60 -19.886 17.047 0.671 1.00 0.00 N ATOM 892 CA GLY A 60 -21.095 16.384 0.216 1.00 0.00 C ATOM 893 C GLY A 60 -21.214 14.969 0.745 1.00 0.00 C ATOM 894 O GLY A 60 -20.208 14.298 0.973 1.00 0.00 O ATOM 0 H GLY A 60 -19.213 17.265 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.964 16.961 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.106 16.363 -0.874 1.00 0.00 H new ATOM 898 N GLU A 61 -22.448 14.515 0.943 1.00 0.00 N ATOM 899 CA GLU A 61 -22.695 13.171 1.451 1.00 0.00 C ATOM 900 C GLU A 61 -21.951 12.130 0.619 1.00 0.00 C ATOM 901 O GLU A 61 -21.375 11.186 1.159 1.00 0.00 O ATOM 902 CB GLU A 61 -24.194 12.867 1.447 1.00 0.00 C ATOM 903 CG GLU A 61 -24.853 13.034 2.806 1.00 0.00 C ATOM 904 CD GLU A 61 -25.948 12.014 3.053 1.00 0.00 C ATOM 905 OE1 GLU A 61 -27.063 12.200 2.522 1.00 0.00 O ATOM 906 OE2 GLU A 61 -25.689 11.031 3.778 1.00 0.00 O ATOM 0 H GLU A 61 -23.292 15.058 0.759 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.326 13.124 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.687 13.524 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.348 11.845 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.097 12.945 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -25.272 14.037 2.881 1.00 0.00 H new ATOM 913 N GLU A 62 -21.970 12.310 -0.698 1.00 0.00 N ATOM 914 CA GLU A 62 -21.298 11.386 -1.604 1.00 0.00 C ATOM 915 C GLU A 62 -19.796 11.360 -1.341 1.00 0.00 C ATOM 916 O GLU A 62 -19.150 10.321 -1.473 1.00 0.00 O ATOM 917 CB GLU A 62 -21.566 11.778 -3.059 1.00 0.00 C ATOM 918 CG GLU A 62 -21.929 10.602 -3.950 1.00 0.00 C ATOM 919 CD GLU A 62 -23.414 10.537 -4.253 1.00 0.00 C ATOM 920 OE1 GLU A 62 -24.176 10.068 -3.381 1.00 0.00 O ATOM 921 OE2 GLU A 62 -23.813 10.953 -5.360 1.00 0.00 O ATOM 0 H GLU A 62 -22.443 13.086 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.697 10.388 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.376 12.507 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.681 12.269 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.374 10.674 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.620 9.675 -3.467 1.00 0.00 H new ATOM 928 N GLN A 63 -19.246 12.512 -0.969 1.00 0.00 N ATOM 929 CA GLN A 63 -17.820 12.622 -0.689 1.00 0.00 C ATOM 930 C GLN A 63 -17.498 12.100 0.708 1.00 0.00 C ATOM 931 O GLN A 63 -16.428 11.536 0.940 1.00 0.00 O ATOM 932 CB GLN A 63 -17.363 14.076 -0.820 1.00 0.00 C ATOM 933 CG GLN A 63 -17.698 14.699 -2.166 1.00 0.00 C ATOM 934 CD GLN A 63 -17.600 16.212 -2.149 1.00 0.00 C ATOM 935 OE1 GLN A 63 -18.609 16.909 -2.038 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.382 16.728 -2.260 1.00 0.00 N ATOM 0 H GLN A 63 -19.767 13.382 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.285 12.013 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.827 14.667 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.285 14.125 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.022 14.303 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.707 14.407 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.574 16.112 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.254 17.740 -2.255 1.00 0.00 H new ATOM 945 N LYS A 64 -18.429 12.292 1.635 1.00 0.00 N ATOM 946 CA LYS A 64 -18.246 11.840 3.009 1.00 0.00 C ATOM 947 C LYS A 64 -18.321 10.319 3.097 1.00 0.00 C ATOM 948 O LYS A 64 -17.542 9.691 3.812 1.00 0.00 O ATOM 949 CB LYS A 64 -19.305 12.467 3.919 1.00 0.00 C ATOM 950 CG LYS A 64 -18.930 13.849 4.426 1.00 0.00 C ATOM 951 CD LYS A 64 -19.669 14.191 5.710 1.00 0.00 C ATOM 952 CE LYS A 64 -19.200 15.518 6.285 1.00 0.00 C ATOM 953 NZ LYS A 64 -20.115 16.015 7.350 1.00 0.00 N ATOM 0 H LYS A 64 -19.319 12.758 1.460 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.257 12.157 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.247 12.532 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.474 11.810 4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.855 13.894 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -19.161 14.593 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.740 14.236 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.513 13.400 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.196 15.402 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.136 16.257 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.761 16.922 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -21.067 16.150 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -20.156 15.321 8.124 1.00 0.00 H new ATOM 967 N GLN A 65 -19.263 9.735 2.363 1.00 0.00 N ATOM 968 CA GLN A 65 -19.438 8.287 2.358 1.00 0.00 C ATOM 969 C GLN A 65 -18.321 7.606 1.573 1.00 0.00 C ATOM 970 O GLN A 65 -17.646 6.712 2.082 1.00 0.00 O ATOM 971 CB GLN A 65 -20.796 7.918 1.759 1.00 0.00 C ATOM 972 CG GLN A 65 -20.932 8.282 0.289 1.00 0.00 C ATOM 973 CD GLN A 65 -22.342 8.090 -0.232 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.096 9.051 -0.386 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.707 6.843 -0.507 1.00 0.00 N ATOM 0 H GLN A 65 -19.916 10.241 1.765 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.397 7.938 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.956 6.846 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.581 8.421 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.635 9.321 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.246 7.671 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.050 6.076 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.644 6.652 -0.861 1.00 0.00 H new ATOM 984 N VAL A 66 -18.132 8.036 0.329 1.00 0.00 N ATOM 985 CA VAL A 66 -17.097 7.469 -0.527 1.00 0.00 C ATOM 986 C VAL A 66 -15.792 7.283 0.239 1.00 0.00 C ATOM 987 O VAL A 66 -15.157 6.231 0.159 1.00 0.00 O ATOM 988 CB VAL A 66 -16.835 8.358 -1.756 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.383 9.745 -1.326 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.805 7.712 -2.671 1.00 0.00 C ATOM 0 H VAL A 66 -18.682 8.775 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.461 6.498 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.767 8.462 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.203 10.359 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.158 10.207 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.464 9.665 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.632 8.354 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.870 7.575 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.174 6.743 -3.007 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.397 8.311 0.982 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.166 8.262 1.762 1.00 0.00 C ATOM 1002 C TYR A 67 -14.234 7.165 2.820 1.00 0.00 C ATOM 1003 O TYR A 67 -13.221 6.559 3.170 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.906 9.614 2.429 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.228 10.616 1.523 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.097 10.269 0.794 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.717 11.911 1.397 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.474 11.182 -0.034 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.101 12.829 0.570 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.979 12.460 -0.144 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.362 13.373 -0.968 1.00 0.00 O ATOM 0 H TYR A 67 -15.911 9.188 1.061 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.344 8.035 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.854 10.029 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.288 9.460 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.699 9.269 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.594 12.204 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.595 10.896 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.495 13.831 0.482 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.845 14.225 -0.931 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.437 6.914 3.326 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.641 5.889 4.343 1.00 0.00 C ATOM 1023 C LYS A 68 -15.585 4.494 3.728 1.00 0.00 C ATOM 1024 O LYS A 68 -15.014 3.570 4.309 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.986 6.096 5.042 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.142 7.471 5.666 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.269 7.386 7.178 1.00 0.00 C ATOM 1028 CE LYS A 68 -17.770 8.695 7.770 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.195 8.952 7.422 1.00 0.00 N ATOM 0 H LYS A 68 -16.286 7.407 3.048 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.840 5.976 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.788 5.940 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.103 5.339 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.283 8.089 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.024 7.961 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.954 6.580 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.301 7.136 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.660 8.669 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.154 9.517 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.587 9.665 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.256 9.301 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.738 8.069 7.509 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.179 4.348 2.548 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.194 3.067 1.852 1.00 0.00 C ATOM 1045 C LYS A 69 -14.780 2.631 1.483 1.00 0.00 C ATOM 1046 O LYS A 69 -14.442 1.450 1.565 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.057 3.158 0.591 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.373 3.885 0.807 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.060 3.429 2.083 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.525 1.984 1.980 1.00 0.00 C ATOM 1051 NZ LYS A 69 -18.745 1.085 2.875 1.00 0.00 N ATOM 0 H LYS A 69 -16.657 5.102 2.054 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.621 2.322 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.493 3.669 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.263 2.151 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.193 4.959 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.031 3.709 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.374 3.533 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.915 4.074 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.583 1.924 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.428 1.644 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.363 0.328 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.955 0.666 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.371 1.632 3.676 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.957 3.592 1.076 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.578 3.308 0.697 1.00 0.00 C ATOM 1067 C LYS A 70 -11.749 2.914 1.914 1.00 0.00 C ATOM 1068 O LYS A 70 -11.078 1.881 1.914 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.954 4.528 0.015 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.521 4.809 -1.366 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.516 5.538 -2.243 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.210 6.402 -3.285 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.717 6.115 -4.661 1.00 0.00 N ATOM 0 H LYS A 70 -14.221 4.574 1.000 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.585 2.472 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.106 5.404 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.878 4.377 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.807 3.870 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.427 5.408 -1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.873 6.161 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.872 4.813 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.285 6.230 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.046 7.454 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.214 6.724 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.695 6.303 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.897 5.117 -4.893 1.00 0.00 H new ATOM 1087 N THR A 71 -11.799 3.742 2.953 1.00 0.00 N ATOM 1088 CA THR A 71 -11.053 3.480 4.177 1.00 0.00 C ATOM 1089 C THR A 71 -11.057 1.993 4.515 1.00 0.00 C ATOM 1090 O THR A 71 -10.032 1.433 4.903 1.00 0.00 O ATOM 1091 CB THR A 71 -11.632 4.267 5.368 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.781 5.647 5.016 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.731 4.144 6.587 1.00 0.00 C ATOM 0 H THR A 71 -12.349 4.601 2.971 1.00 0.00 H new ATOM 0 HA THR A 71 -10.029 3.807 3.999 1.00 0.00 H new ATOM 0 HB THR A 71 -12.608 3.847 5.613 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.644 5.780 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.160 4.708 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.642 3.095 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.744 4.541 6.351 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.216 1.360 4.365 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.352 -0.062 4.655 1.00 0.00 C ATOM 1103 C GLU A 72 -11.652 -0.904 3.592 1.00 0.00 C ATOM 1104 O GLU A 72 -10.984 -1.888 3.906 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.830 -0.450 4.737 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.484 -0.083 6.059 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.468 -1.227 7.055 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.139 -2.248 6.795 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -13.786 -1.101 8.093 1.00 0.00 O ATOM 0 H GLU A 72 -13.074 1.809 4.045 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.879 -0.257 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.371 0.038 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.924 -1.525 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.968 0.776 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.515 0.222 5.878 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.812 -0.509 2.333 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.195 -1.225 1.224 1.00 0.00 C ATOM 1118 C ALA A 73 -9.675 -1.116 1.278 1.00 0.00 C ATOM 1119 O ALA A 73 -8.963 -1.996 0.794 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.717 -0.694 -0.103 1.00 0.00 C ATOM 0 H ALA A 73 -12.364 0.303 2.056 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.461 -2.278 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.247 -1.238 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.798 -0.830 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.480 0.367 -0.189 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.185 -0.032 1.869 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.749 0.191 1.987 1.00 0.00 C ATOM 1128 C ALA A 74 -7.217 -0.347 3.312 1.00 0.00 C ATOM 1129 O ALA A 74 -6.081 -0.814 3.393 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.432 1.672 1.851 1.00 0.00 C ATOM 0 H ALA A 74 -9.761 0.706 2.274 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.255 -0.350 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.356 1.824 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.768 2.028 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.944 2.227 2.637 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.045 -0.277 4.348 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.660 -0.757 5.670 1.00 0.00 C ATOM 1138 C LYS A 75 -7.585 -2.280 5.695 1.00 0.00 C ATOM 1139 O LYS A 75 -6.557 -2.856 6.051 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.655 -0.267 6.724 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.713 -1.146 7.961 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.697 -0.317 9.235 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.958 0.524 9.368 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.697 0.219 10.624 1.00 0.00 N ATOM 0 H LYS A 75 -8.988 0.108 4.298 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.672 -0.358 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.387 0.747 7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.648 -0.216 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.616 -1.755 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.866 -1.832 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.605 -0.976 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.822 0.334 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.693 1.581 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.607 0.343 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.550 0.812 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.972 -0.784 10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.086 0.416 11.443 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.681 -2.928 5.315 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.740 -4.385 5.291 1.00 0.00 C ATOM 1160 C LYS A 76 -7.618 -4.961 4.433 1.00 0.00 C ATOM 1161 O LYS A 76 -6.910 -5.874 4.854 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.096 -4.852 4.757 1.00 0.00 C ATOM 1163 CG LYS A 76 -11.072 -5.257 5.848 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.926 -6.440 5.421 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.373 -6.030 5.196 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.938 -6.643 3.962 1.00 0.00 N ATOM 0 H LYS A 76 -9.541 -2.467 5.019 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.614 -4.746 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.539 -4.052 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.942 -5.698 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.522 -5.512 6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.716 -4.412 6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.522 -6.870 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.881 -7.217 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.973 -6.327 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.436 -4.944 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.926 -6.339 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.382 -6.339 3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.902 -7.679 4.041 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.462 -4.419 3.229 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.425 -4.880 2.313 1.00 0.00 C ATOM 1182 C GLU A 77 -5.038 -4.682 2.918 1.00 0.00 C ATOM 1183 O GLU A 77 -4.221 -5.602 2.938 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.524 -4.136 0.980 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.630 -2.910 0.899 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.636 -2.273 -0.476 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.703 -2.269 -1.125 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.572 -1.777 -0.905 1.00 0.00 O ATOM 0 H GLU A 77 -8.040 -3.661 2.866 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.577 -5.945 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.263 -4.819 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.558 -3.832 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.958 -2.177 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.610 -3.191 1.160 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.781 -3.475 3.408 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.492 -3.154 4.011 1.00 0.00 C ATOM 1197 C TYR A 78 -2.984 -4.314 4.861 1.00 0.00 C ATOM 1198 O TYR A 78 -1.782 -4.575 4.922 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.606 -1.891 4.866 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.364 -1.593 5.675 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.144 -1.362 5.052 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.410 -1.543 7.063 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.006 -1.090 5.787 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.278 -1.270 7.806 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.078 -1.046 7.163 1.00 0.00 C ATOM 1206 OH TYR A 78 1.053 -0.774 7.899 1.00 0.00 O ATOM 0 H TYR A 78 -5.447 -2.703 3.400 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.777 -2.977 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.819 -1.041 4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.454 -1.996 5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.084 -1.396 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.347 -1.721 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.934 -0.913 5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.332 -1.232 8.884 1.00 0.00 H new ATOM 0 HH TYR A 78 0.831 -0.779 8.854 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.909 -5.007 5.517 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.557 -6.141 6.365 1.00 0.00 C ATOM 1218 C LEU A 79 -3.057 -7.313 5.526 1.00 0.00 C ATOM 1219 O LEU A 79 -2.032 -7.920 5.836 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.764 -6.573 7.199 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.489 -5.461 7.957 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.792 -5.978 8.546 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.597 -4.891 9.050 1.00 0.00 C ATOM 0 H LEU A 79 -4.908 -4.804 5.478 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.755 -5.829 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.480 -7.062 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.433 -7.321 7.920 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.724 -4.662 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.294 -5.172 9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.437 -6.337 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.581 -6.796 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.130 -4.101 9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.331 -5.682 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.691 -4.482 8.604 1.00 0.00 H new