USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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 175:sc= 1.18 USER MOD Single : A 33 GLN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.54) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 55:sc= 0.471 USER MOD Single : A 49 SER OG : rot -65:sc= -0.444! 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 -169:sc= -5.48! (180deg=-5.64!) USER MOD Single : A 63 GLN : amide:sc= -1.04 K(o=-1,f=-3.7!) USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.13) USER MOD Single : A 65 GLN : amide:sc= -2.99 K(o=-3,f=-9.2!) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0884 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 -3.371 2.860 5.698 1.00 0.00 N ATOM 307 CA PRO A 21 -4.394 3.809 5.250 1.00 0.00 C ATOM 308 C PRO A 21 -4.962 4.635 6.399 1.00 0.00 C ATOM 309 O PRO A 21 -4.958 4.200 7.551 1.00 0.00 O ATOM 310 CB PRO A 21 -5.477 2.907 4.653 1.00 0.00 C ATOM 311 CG PRO A 21 -5.305 1.600 5.345 1.00 0.00 C ATOM 312 CD PRO A 21 -3.832 1.464 5.614 1.00 0.00 C ATOM 0 HA PRO A 21 -3.993 4.539 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.472 3.317 4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.356 2.803 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.875 1.572 6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.666 0.780 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.641 0.921 6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.326 0.921 4.816 1.00 0.00 H new ATOM 320 N VAL A 22 -5.451 5.829 6.079 1.00 0.00 N ATOM 321 CA VAL A 22 -6.025 6.715 7.084 1.00 0.00 C ATOM 322 C VAL A 22 -7.548 6.669 7.054 1.00 0.00 C ATOM 323 O VAL A 22 -8.148 6.301 6.043 1.00 0.00 O ATOM 324 CB VAL A 22 -5.562 8.170 6.880 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.052 8.231 6.710 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.267 8.789 5.683 1.00 0.00 C ATOM 0 H VAL A 22 -5.461 6.205 5.131 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.674 6.362 8.054 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.827 8.746 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.743 9.267 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.569 7.828 7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.760 7.642 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.929 9.817 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.034 8.214 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.344 8.780 5.850 1.00 0.00 H new ATOM 336 N SER A 23 -8.169 7.044 8.167 1.00 0.00 N ATOM 337 CA SER A 23 -9.623 7.042 8.270 1.00 0.00 C ATOM 338 C SER A 23 -10.246 7.895 7.168 1.00 0.00 C ATOM 339 O SER A 23 -9.543 8.578 6.424 1.00 0.00 O ATOM 340 CB SER A 23 -10.060 7.562 9.641 1.00 0.00 C ATOM 341 OG SER A 23 -10.598 6.519 10.434 1.00 0.00 O ATOM 0 H SER A 23 -7.687 7.353 9.011 1.00 0.00 H new ATOM 0 HA SER A 23 -9.970 6.015 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.208 8.009 10.152 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.804 8.348 9.515 1.00 0.00 H new ATOM 0 HG SER A 23 -10.868 6.877 11.305 1.00 0.00 H new ATOM 347 N ALA A 24 -11.571 7.848 7.070 1.00 0.00 N ATOM 348 CA ALA A 24 -12.290 8.616 6.062 1.00 0.00 C ATOM 349 C ALA A 24 -11.915 10.093 6.126 1.00 0.00 C ATOM 350 O ALA A 24 -11.270 10.620 5.220 1.00 0.00 O ATOM 351 CB ALA A 24 -13.791 8.442 6.237 1.00 0.00 C ATOM 0 H ALA A 24 -12.168 7.286 7.677 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.004 8.238 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.315 9.021 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.050 7.388 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.085 8.791 7.227 1.00 0.00 H new ATOM 357 N TYR A 25 -12.325 10.756 7.202 1.00 0.00 N ATOM 358 CA TYR A 25 -12.035 12.173 7.383 1.00 0.00 C ATOM 359 C TYR A 25 -10.551 12.457 7.167 1.00 0.00 C ATOM 360 O TYR A 25 -10.162 13.584 6.862 1.00 0.00 O ATOM 361 CB TYR A 25 -12.454 12.626 8.782 1.00 0.00 C ATOM 362 CG TYR A 25 -11.807 13.921 9.218 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.802 15.034 8.386 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.201 14.033 10.464 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.212 16.219 8.780 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.609 15.214 10.867 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.617 16.304 10.021 1.00 0.00 C ATOM 368 OH TYR A 25 -10.028 17.483 10.418 1.00 0.00 O ATOM 0 H TYR A 25 -12.859 10.334 7.962 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.605 12.732 6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.537 12.744 8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.202 11.844 9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.268 14.971 7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.193 13.182 11.129 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.217 17.074 8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.143 15.284 11.839 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.656 17.376 11.318 1.00 0.00 H new ATOM 378 N ALA A 26 -9.728 11.426 7.328 1.00 0.00 N ATOM 379 CA ALA A 26 -8.288 11.563 7.149 1.00 0.00 C ATOM 380 C ALA A 26 -7.909 11.487 5.674 1.00 0.00 C ATOM 381 O ALA A 26 -7.032 12.216 5.209 1.00 0.00 O ATOM 382 CB ALA A 26 -7.554 10.491 7.940 1.00 0.00 C ATOM 0 H ALA A 26 -10.034 10.487 7.582 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.991 12.543 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.479 10.605 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.792 10.593 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.864 9.506 7.592 1.00 0.00 H new ATOM 388 N LEU A 27 -8.574 10.600 4.942 1.00 0.00 N ATOM 389 CA LEU A 27 -8.307 10.428 3.518 1.00 0.00 C ATOM 390 C LEU A 27 -8.507 11.739 2.764 1.00 0.00 C ATOM 391 O LEU A 27 -7.872 11.980 1.737 1.00 0.00 O ATOM 392 CB LEU A 27 -9.218 9.347 2.934 1.00 0.00 C ATOM 393 CG LEU A 27 -8.573 7.979 2.704 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.593 6.869 2.903 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.966 7.904 1.310 1.00 0.00 C ATOM 0 H LEU A 27 -9.302 9.989 5.311 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.268 10.119 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.069 9.217 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.611 9.706 1.983 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.775 7.847 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.117 5.903 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.982 6.910 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.413 6.997 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.511 6.924 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.746 8.057 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.205 8.677 1.203 1.00 0.00 H new ATOM 407 N PHE A 28 -9.392 12.584 3.282 1.00 0.00 N ATOM 408 CA PHE A 28 -9.675 13.872 2.659 1.00 0.00 C ATOM 409 C PHE A 28 -8.705 14.941 3.154 1.00 0.00 C ATOM 410 O PHE A 28 -8.591 16.014 2.562 1.00 0.00 O ATOM 411 CB PHE A 28 -11.115 14.299 2.952 1.00 0.00 C ATOM 412 CG PHE A 28 -11.350 15.772 2.783 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.554 16.315 1.525 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.367 16.615 3.883 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.769 17.671 1.367 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.583 17.972 3.731 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.785 18.500 2.471 1.00 0.00 C ATOM 0 H PHE A 28 -9.926 12.400 4.132 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.548 13.762 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.789 13.754 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.370 14.013 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.545 15.671 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.210 16.207 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.924 18.082 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.594 18.618 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.955 19.560 2.349 1.00 0.00 H new ATOM 427 N PHE A 29 -8.010 14.640 4.246 1.00 0.00 N ATOM 428 CA PHE A 29 -7.050 15.575 4.823 1.00 0.00 C ATOM 429 C PHE A 29 -5.709 15.492 4.101 1.00 0.00 C ATOM 430 O PHE A 29 -5.021 16.499 3.931 1.00 0.00 O ATOM 431 CB PHE A 29 -6.859 15.286 6.313 1.00 0.00 C ATOM 432 CG PHE A 29 -6.051 16.332 7.027 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.699 16.482 6.763 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.643 17.165 7.962 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.953 17.443 7.418 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.902 18.129 8.620 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.555 18.267 8.348 1.00 0.00 C ATOM 0 H PHE A 29 -8.093 13.757 4.749 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.445 16.584 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.837 15.207 6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.369 14.319 6.428 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.223 15.840 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.696 17.060 8.180 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.900 17.550 7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.376 18.773 9.346 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.974 19.018 8.862 1.00 0.00 H new ATOM 447 N ARG A 30 -5.344 14.286 3.678 1.00 0.00 N ATOM 448 CA ARG A 30 -4.084 14.071 2.976 1.00 0.00 C ATOM 449 C ARG A 30 -4.202 14.479 1.511 1.00 0.00 C ATOM 450 O ARG A 30 -3.204 14.792 0.861 1.00 0.00 O ATOM 451 CB ARG A 30 -3.664 12.604 3.076 1.00 0.00 C ATOM 452 CG ARG A 30 -4.786 11.627 2.761 1.00 0.00 C ATOM 453 CD ARG A 30 -4.272 10.417 1.996 1.00 0.00 C ATOM 454 NE ARG A 30 -4.166 10.680 0.564 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.411 9.963 -0.261 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.700 8.944 0.202 1.00 0.00 N ATOM 457 NH2 ARG A 30 -3.367 10.264 -1.553 1.00 0.00 N ATOM 0 H ARG A 30 -5.903 13.443 3.809 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.323 14.692 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.835 12.425 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.295 12.408 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.256 11.300 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.554 12.130 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.295 10.130 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.941 9.573 2.161 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.701 11.457 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.732 8.709 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.121 8.395 -0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.913 11.046 -1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.787 9.713 -2.186 1.00 0.00 H new ATOM 471 N ASP A 31 -5.427 14.474 0.998 1.00 0.00 N ATOM 472 CA ASP A 31 -5.676 14.844 -0.391 1.00 0.00 C ATOM 473 C ASP A 31 -5.924 16.344 -0.517 1.00 0.00 C ATOM 474 O ASP A 31 -5.704 16.934 -1.576 1.00 0.00 O ATOM 475 CB ASP A 31 -6.874 14.068 -0.941 1.00 0.00 C ATOM 476 CG ASP A 31 -6.501 13.181 -2.112 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.936 12.093 -1.876 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.775 13.575 -3.265 1.00 0.00 O ATOM 0 H ASP A 31 -6.263 14.218 1.523 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.790 14.590 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.302 13.456 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.646 14.771 -1.253 1.00 0.00 H new ATOM 483 N THR A 32 -6.385 16.956 0.569 1.00 0.00 N ATOM 484 CA THR A 32 -6.665 18.387 0.579 1.00 0.00 C ATOM 485 C THR A 32 -5.475 19.176 1.111 1.00 0.00 C ATOM 486 O THR A 32 -5.053 20.162 0.507 1.00 0.00 O ATOM 487 CB THR A 32 -7.905 18.710 1.435 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.055 18.044 0.902 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.156 20.210 1.479 1.00 0.00 C ATOM 0 H THR A 32 -6.572 16.483 1.453 1.00 0.00 H new ATOM 0 HA THR A 32 -6.859 18.679 -0.453 1.00 0.00 H new ATOM 0 HB THR A 32 -7.720 18.359 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.819 18.182 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.036 20.414 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.290 20.711 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.322 20.581 0.468 1.00 0.00 H new ATOM 497 N GLN A 33 -4.938 18.737 2.245 1.00 0.00 N ATOM 498 CA GLN A 33 -3.795 19.404 2.857 1.00 0.00 C ATOM 499 C GLN A 33 -2.852 19.956 1.793 1.00 0.00 C ATOM 500 O GLN A 33 -2.590 21.157 1.745 1.00 0.00 O ATOM 501 CB GLN A 33 -3.041 18.436 3.771 1.00 0.00 C ATOM 502 CG GLN A 33 -1.722 18.987 4.286 1.00 0.00 C ATOM 503 CD GLN A 33 -0.595 17.977 4.202 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.065 17.534 5.222 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.221 17.606 2.983 1.00 0.00 N ATOM 0 H GLN A 33 -5.276 17.923 2.758 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.169 20.237 3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.676 18.183 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.851 17.510 3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.454 19.874 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.845 19.304 5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.687 17.998 2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.533 16.929 2.865 1.00 0.00 H new ATOM 514 N ALA A 34 -2.345 19.070 0.942 1.00 0.00 N ATOM 515 CA ALA A 34 -1.432 19.469 -0.122 1.00 0.00 C ATOM 516 C ALA A 34 -1.915 20.740 -0.811 1.00 0.00 C ATOM 517 O ALA A 34 -1.161 21.701 -0.960 1.00 0.00 O ATOM 518 CB ALA A 34 -1.278 18.343 -1.134 1.00 0.00 C ATOM 0 H ALA A 34 -2.551 18.071 0.969 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.460 19.677 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.594 18.654 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.880 17.459 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.250 18.109 -1.568 1.00 0.00 H new ATOM 524 N ALA A 35 -3.176 20.738 -1.231 1.00 0.00 N ATOM 525 CA ALA A 35 -3.760 21.891 -1.904 1.00 0.00 C ATOM 526 C ALA A 35 -3.758 23.116 -0.995 1.00 0.00 C ATOM 527 O ALA A 35 -3.683 24.251 -1.467 1.00 0.00 O ATOM 528 CB ALA A 35 -5.175 21.575 -2.363 1.00 0.00 C ATOM 0 H ALA A 35 -3.813 19.950 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.149 22.118 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.598 22.446 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.154 20.733 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.789 21.319 -1.499 1.00 0.00 H new ATOM 534 N ILE A 36 -3.840 22.878 0.310 1.00 0.00 N ATOM 535 CA ILE A 36 -3.848 23.963 1.284 1.00 0.00 C ATOM 536 C ILE A 36 -2.445 24.524 1.492 1.00 0.00 C ATOM 537 O ILE A 36 -2.178 25.687 1.190 1.00 0.00 O ATOM 538 CB ILE A 36 -4.409 23.497 2.640 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.709 22.716 2.438 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.638 24.689 3.557 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.888 23.590 2.071 1.00 0.00 C ATOM 0 H ILE A 36 -3.902 21.945 0.717 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.493 24.744 0.882 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.680 22.837 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.559 21.974 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.942 22.171 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.035 24.343 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.693 25.207 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.350 25.372 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.775 22.970 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.064 24.316 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.676 24.115 1.140 1.00 0.00 H new ATOM 553 N LYS A 37 -1.550 23.688 2.010 1.00 0.00 N ATOM 554 CA LYS A 37 -0.173 24.098 2.256 1.00 0.00 C ATOM 555 C LYS A 37 0.445 24.711 1.003 1.00 0.00 C ATOM 556 O LYS A 37 1.271 25.619 1.087 1.00 0.00 O ATOM 557 CB LYS A 37 0.662 22.902 2.717 1.00 0.00 C ATOM 558 CG LYS A 37 1.570 23.211 3.895 1.00 0.00 C ATOM 559 CD LYS A 37 2.659 24.200 3.515 1.00 0.00 C ATOM 560 CE LYS A 37 4.045 23.626 3.766 1.00 0.00 C ATOM 561 NZ LYS A 37 5.041 24.130 2.780 1.00 0.00 N ATOM 0 H LYS A 37 -1.755 22.722 2.267 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.180 24.853 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.007 22.086 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.270 22.551 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.978 23.618 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.025 22.289 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.559 24.466 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.535 25.118 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.368 23.886 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.002 22.538 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.973 23.716 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.746 23.861 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.101 25.166 2.846 1.00 0.00 H new ATOM 575 N GLY A 38 0.037 24.210 -0.159 1.00 0.00 N ATOM 576 CA GLY A 38 0.560 24.721 -1.412 1.00 0.00 C ATOM 577 C GLY A 38 0.286 26.201 -1.594 1.00 0.00 C ATOM 578 O GLY A 38 1.153 26.947 -2.046 1.00 0.00 O ATOM 0 H GLY A 38 -0.647 23.459 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.635 24.546 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.116 24.168 -2.240 1.00 0.00 H new ATOM 582 N GLN A 39 -0.924 26.624 -1.242 1.00 0.00 N ATOM 583 CA GLN A 39 -1.310 28.024 -1.372 1.00 0.00 C ATOM 584 C GLN A 39 -0.812 28.839 -0.183 1.00 0.00 C ATOM 585 O GLN A 39 -0.644 30.054 -0.278 1.00 0.00 O ATOM 586 CB GLN A 39 -2.831 28.147 -1.488 1.00 0.00 C ATOM 587 CG GLN A 39 -3.336 28.111 -2.921 1.00 0.00 C ATOM 588 CD GLN A 39 -4.824 28.386 -3.023 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.252 29.540 -3.057 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.620 27.325 -3.071 1.00 0.00 N ATOM 0 H GLN A 39 -1.653 26.018 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.850 28.419 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.297 27.337 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.148 29.080 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.793 28.848 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.120 27.134 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.221 26.387 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.630 27.448 -3.139 1.00 0.00 H new ATOM 599 N ASN A 40 -0.578 28.161 0.936 1.00 0.00 N ATOM 600 CA ASN A 40 -0.099 28.823 2.144 1.00 0.00 C ATOM 601 C ASN A 40 1.052 28.042 2.772 1.00 0.00 C ATOM 602 O ASN A 40 0.871 27.279 3.721 1.00 0.00 O ATOM 603 CB ASN A 40 -1.239 28.973 3.154 1.00 0.00 C ATOM 604 CG ASN A 40 -2.583 29.180 2.482 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.777 30.142 1.739 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.519 28.273 2.740 1.00 0.00 N ATOM 0 H ASN A 40 -0.712 27.154 1.031 1.00 0.00 H new ATOM 0 HA ASN A 40 0.265 29.812 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.283 28.084 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.030 29.818 3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.443 28.358 2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.314 27.491 3.362 1.00 0.00 H new ATOM 613 N PRO A 41 2.263 28.237 2.232 1.00 0.00 N ATOM 614 CA PRO A 41 3.468 27.562 2.724 1.00 0.00 C ATOM 615 C PRO A 41 3.893 28.063 4.100 1.00 0.00 C ATOM 616 O PRO A 41 4.668 27.410 4.797 1.00 0.00 O ATOM 617 CB PRO A 41 4.526 27.915 1.676 1.00 0.00 C ATOM 618 CG PRO A 41 4.054 29.195 1.077 1.00 0.00 C ATOM 619 CD PRO A 41 2.552 29.133 1.099 1.00 0.00 C ATOM 0 HA PRO A 41 3.312 26.490 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.510 28.030 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.612 27.133 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.418 30.050 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.425 29.310 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.111 30.119 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.152 28.740 0.164 1.00 0.00 H new ATOM 627 N ASN A 42 3.379 29.227 4.485 1.00 0.00 N ATOM 628 CA ASN A 42 3.706 29.817 5.778 1.00 0.00 C ATOM 629 C ASN A 42 3.046 29.038 6.913 1.00 0.00 C ATOM 630 O ASN A 42 3.479 29.111 8.063 1.00 0.00 O ATOM 631 CB ASN A 42 3.261 31.280 5.823 1.00 0.00 C ATOM 632 CG ASN A 42 4.423 32.242 5.670 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.843 32.553 4.556 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.947 32.719 6.794 1.00 0.00 N ATOM 0 H ASN A 42 2.735 29.780 3.920 1.00 0.00 H new ATOM 0 HA ASN A 42 4.787 29.770 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.536 31.461 5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.754 31.474 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.730 33.371 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.566 32.433 7.696 1.00 0.00 H new ATOM 641 N ALA A 43 1.997 28.293 6.580 1.00 0.00 N ATOM 642 CA ALA A 43 1.279 27.500 7.570 1.00 0.00 C ATOM 643 C ALA A 43 2.183 26.432 8.177 1.00 0.00 C ATOM 644 O ALA A 43 3.262 26.147 7.657 1.00 0.00 O ATOM 645 CB ALA A 43 0.050 26.859 6.942 1.00 0.00 C ATOM 0 H ALA A 43 1.626 28.222 5.633 1.00 0.00 H new ATOM 0 HA ALA A 43 0.959 28.166 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.477 26.270 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.612 27.637 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.357 26.210 6.121 1.00 0.00 H new ATOM 651 N THR A 44 1.736 25.842 9.282 1.00 0.00 N ATOM 652 CA THR A 44 2.505 24.807 9.961 1.00 0.00 C ATOM 653 C THR A 44 1.595 23.704 10.489 1.00 0.00 C ATOM 654 O THR A 44 1.403 23.570 11.698 1.00 0.00 O ATOM 655 CB THR A 44 3.320 25.389 11.131 1.00 0.00 C ATOM 656 OG1 THR A 44 2.449 26.058 12.050 1.00 0.00 O ATOM 657 CG2 THR A 44 4.375 26.362 10.625 1.00 0.00 C ATOM 0 H THR A 44 0.845 26.064 9.725 1.00 0.00 H new ATOM 0 HA THR A 44 3.190 24.388 9.224 1.00 0.00 H new ATOM 0 HB THR A 44 3.822 24.566 11.640 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.745 25.441 12.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.938 26.760 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.054 25.843 9.949 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.890 27.181 10.094 1.00 0.00 H new ATOM 665 N PHE A 45 1.037 22.916 9.576 1.00 0.00 N ATOM 666 CA PHE A 45 0.147 21.823 9.951 1.00 0.00 C ATOM 667 C PHE A 45 -1.099 22.354 10.655 1.00 0.00 C ATOM 668 O PHE A 45 -2.170 22.450 10.056 1.00 0.00 O ATOM 669 CB PHE A 45 0.876 20.832 10.860 1.00 0.00 C ATOM 670 CG PHE A 45 2.039 20.152 10.195 1.00 0.00 C ATOM 671 CD1 PHE A 45 1.849 19.372 9.066 1.00 0.00 C ATOM 672 CD2 PHE A 45 3.322 20.294 10.699 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.918 18.746 8.451 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.393 19.671 10.089 1.00 0.00 C ATOM 675 CZ PHE A 45 4.191 18.895 8.964 1.00 0.00 C ATOM 0 H PHE A 45 1.185 23.014 8.572 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.162 21.310 9.040 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.231 21.358 11.746 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.169 20.075 11.200 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.855 19.251 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.486 20.899 11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.757 18.141 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.388 19.790 10.491 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.027 18.406 8.487 1.00 0.00 H new ATOM 685 N GLY A 46 -0.950 22.697 11.931 1.00 0.00 N ATOM 686 CA GLY A 46 -2.070 23.213 12.696 1.00 0.00 C ATOM 687 C GLY A 46 -3.003 24.063 11.856 1.00 0.00 C ATOM 688 O GLY A 46 -4.223 23.962 11.979 1.00 0.00 O ATOM 0 H GLY A 46 -0.074 22.627 12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.628 22.380 13.124 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.694 23.806 13.529 1.00 0.00 H new ATOM 692 N GLU A 47 -2.428 24.904 11.002 1.00 0.00 N ATOM 693 CA GLU A 47 -3.218 25.776 10.141 1.00 0.00 C ATOM 694 C GLU A 47 -3.882 24.980 9.022 1.00 0.00 C ATOM 695 O GLU A 47 -5.107 24.956 8.904 1.00 0.00 O ATOM 696 CB GLU A 47 -2.337 26.876 9.546 1.00 0.00 C ATOM 697 CG GLU A 47 -2.632 28.260 10.100 1.00 0.00 C ATOM 698 CD GLU A 47 -3.567 29.057 9.212 1.00 0.00 C ATOM 699 OE1 GLU A 47 -3.242 29.236 8.019 1.00 0.00 O ATOM 700 OE2 GLU A 47 -4.623 29.502 9.709 1.00 0.00 O ATOM 0 H GLU A 47 -1.419 25.000 10.888 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.998 26.234 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.291 26.634 9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.470 26.891 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.073 28.164 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.696 28.806 10.219 1.00 0.00 H new ATOM 707 N VAL A 48 -3.064 24.329 8.201 1.00 0.00 N ATOM 708 CA VAL A 48 -3.571 23.531 7.091 1.00 0.00 C ATOM 709 C VAL A 48 -4.626 22.537 7.565 1.00 0.00 C ATOM 710 O VAL A 48 -5.436 22.053 6.775 1.00 0.00 O ATOM 711 CB VAL A 48 -2.436 22.761 6.389 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.005 21.697 5.463 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.537 23.720 5.623 1.00 0.00 C ATOM 0 H VAL A 48 -2.047 24.339 8.284 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.022 24.226 6.382 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.834 22.263 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.188 21.164 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.604 20.994 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.631 22.170 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.741 23.160 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.124 24.248 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.101 24.441 6.315 1.00 0.00 H new ATOM 723 N SER A 49 -4.610 22.239 8.860 1.00 0.00 N ATOM 724 CA SER A 49 -5.564 21.300 9.440 1.00 0.00 C ATOM 725 C SER A 49 -6.845 22.016 9.856 1.00 0.00 C ATOM 726 O SER A 49 -7.919 21.758 9.312 1.00 0.00 O ATOM 727 CB SER A 49 -4.946 20.593 10.647 1.00 0.00 C ATOM 728 OG SER A 49 -4.912 21.448 11.777 1.00 0.00 O ATOM 0 H SER A 49 -3.947 22.634 9.528 1.00 0.00 H new ATOM 0 HA SER A 49 -5.813 20.557 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.522 19.698 10.882 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.935 20.267 10.403 1.00 0.00 H new ATOM 0 HG SER A 49 -4.310 22.200 11.600 1.00 0.00 H new ATOM 734 N LYS A 50 -6.724 22.916 10.825 1.00 0.00 N ATOM 735 CA LYS A 50 -7.871 23.672 11.316 1.00 0.00 C ATOM 736 C LYS A 50 -8.779 24.092 10.165 1.00 0.00 C ATOM 737 O LYS A 50 -9.983 24.275 10.347 1.00 0.00 O ATOM 738 CB LYS A 50 -7.401 24.908 12.086 1.00 0.00 C ATOM 739 CG LYS A 50 -7.766 24.881 13.560 1.00 0.00 C ATOM 740 CD LYS A 50 -6.723 24.139 14.379 1.00 0.00 C ATOM 741 CE LYS A 50 -6.847 24.459 15.861 1.00 0.00 C ATOM 742 NZ LYS A 50 -8.040 23.808 16.471 1.00 0.00 N ATOM 0 H LYS A 50 -5.843 23.140 11.287 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.439 23.028 11.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.319 24.996 11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.835 25.797 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.863 25.901 13.931 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.737 24.403 13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.836 23.066 14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.726 24.408 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.948 24.128 16.380 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.914 25.539 15.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.089 24.050 17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.901 24.142 15.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.964 22.776 16.366 1.00 0.00 H new ATOM 756 N ILE A 51 -8.195 24.241 8.981 1.00 0.00 N ATOM 757 CA ILE A 51 -8.953 24.636 7.800 1.00 0.00 C ATOM 758 C ILE A 51 -9.722 23.454 7.219 1.00 0.00 C ATOM 759 O ILE A 51 -10.936 23.524 7.027 1.00 0.00 O ATOM 760 CB ILE A 51 -8.034 25.222 6.711 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.238 26.404 7.267 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.852 25.648 5.501 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.960 26.682 6.507 1.00 0.00 C ATOM 0 H ILE A 51 -7.200 24.094 8.814 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.658 25.403 8.120 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.331 24.451 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.865 27.296 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.995 26.209 8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.189 26.060 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.378 24.784 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.576 26.406 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.447 27.533 6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.314 25.805 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.197 26.909 5.467 1.00 0.00 H new ATOM 775 N VAL A 52 -9.007 22.369 6.942 1.00 0.00 N ATOM 776 CA VAL A 52 -9.622 21.170 6.386 1.00 0.00 C ATOM 777 C VAL A 52 -10.836 20.744 7.204 1.00 0.00 C ATOM 778 O VAL A 52 -11.941 20.624 6.677 1.00 0.00 O ATOM 779 CB VAL A 52 -8.621 20.000 6.328 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.316 18.723 5.884 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.463 20.337 5.400 1.00 0.00 C ATOM 0 H VAL A 52 -8.001 22.295 7.094 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.939 21.419 5.373 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.221 19.837 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.593 17.908 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.108 18.475 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.746 18.869 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.765 19.500 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.844 20.527 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.949 21.225 5.767 1.00 0.00 H new ATOM 791 N ALA A 53 -10.622 20.519 8.496 1.00 0.00 N ATOM 792 CA ALA A 53 -11.699 20.109 9.389 1.00 0.00 C ATOM 793 C ALA A 53 -13.020 20.758 8.988 1.00 0.00 C ATOM 794 O ALA A 53 -13.988 20.069 8.665 1.00 0.00 O ATOM 795 CB ALA A 53 -11.353 20.458 10.829 1.00 0.00 C ATOM 0 H ALA A 53 -9.712 20.614 8.948 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.815 19.028 9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.166 20.146 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.436 19.944 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.208 21.535 10.918 1.00 0.00 H new ATOM 801 N SER A 54 -13.053 22.086 9.013 1.00 0.00 N ATOM 802 CA SER A 54 -14.257 22.828 8.657 1.00 0.00 C ATOM 803 C SER A 54 -14.766 22.408 7.281 1.00 0.00 C ATOM 804 O SER A 54 -15.970 22.258 7.072 1.00 0.00 O ATOM 805 CB SER A 54 -13.979 24.332 8.673 1.00 0.00 C ATOM 806 OG SER A 54 -15.141 25.069 8.335 1.00 0.00 O ATOM 0 H SER A 54 -12.260 22.671 9.276 1.00 0.00 H new ATOM 0 HA SER A 54 -15.026 22.601 9.395 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.630 24.630 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.180 24.565 7.970 1.00 0.00 H new ATOM 0 HG SER A 54 -14.937 26.027 8.354 1.00 0.00 H new ATOM 812 N MET A 55 -13.841 22.221 6.346 1.00 0.00 N ATOM 813 CA MET A 55 -14.195 21.818 4.990 1.00 0.00 C ATOM 814 C MET A 55 -14.845 20.438 4.986 1.00 0.00 C ATOM 815 O MET A 55 -15.874 20.229 4.344 1.00 0.00 O ATOM 816 CB MET A 55 -12.954 21.813 4.096 1.00 0.00 C ATOM 817 CG MET A 55 -12.089 23.053 4.250 1.00 0.00 C ATOM 818 SD MET A 55 -11.314 23.556 2.701 1.00 0.00 S ATOM 819 CE MET A 55 -10.426 22.063 2.266 1.00 0.00 C ATOM 0 H MET A 55 -12.840 22.342 6.502 1.00 0.00 H new ATOM 0 HA MET A 55 -14.912 22.539 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.355 20.932 4.325 1.00 0.00 H new ATOM 0 HB3 MET A 55 -13.266 21.725 3.055 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.700 23.872 4.629 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.315 22.862 4.994 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.744 22.272 1.442 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.857 21.714 3.128 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.135 21.293 1.963 1.00 0.00 H new ATOM 829 N TRP A 56 -14.238 19.501 5.705 1.00 0.00 N ATOM 830 CA TRP A 56 -14.758 18.140 5.783 1.00 0.00 C ATOM 831 C TRP A 56 -16.127 18.119 6.453 1.00 0.00 C ATOM 832 O TRP A 56 -17.049 17.454 5.980 1.00 0.00 O ATOM 833 CB TRP A 56 -13.786 17.244 6.552 1.00 0.00 C ATOM 834 CG TRP A 56 -14.416 15.982 7.059 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.087 15.816 8.237 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.433 14.710 6.403 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.519 14.517 8.353 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.131 13.818 7.240 1.00 0.00 C ATOM 839 CE3 TRP A 56 -13.927 14.237 5.189 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.334 12.483 6.901 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.130 12.912 4.854 1.00 0.00 C ATOM 842 CH2 TRP A 56 -14.829 12.047 5.707 1.00 0.00 C ATOM 0 H TRP A 56 -13.385 19.658 6.242 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.865 17.759 4.767 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.948 16.988 5.903 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.378 17.802 7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.254 16.592 8.970 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.043 14.135 9.140 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.387 14.895 4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -15.871 11.815 7.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.743 12.536 3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -14.972 11.017 5.416 1.00 0.00 H new ATOM 853 N ASP A 57 -16.254 18.850 7.555 1.00 0.00 N ATOM 854 CA ASP A 57 -17.512 18.916 8.288 1.00 0.00 C ATOM 855 C ASP A 57 -18.632 19.448 7.400 1.00 0.00 C ATOM 856 O ASP A 57 -19.807 19.156 7.622 1.00 0.00 O ATOM 857 CB ASP A 57 -17.360 19.803 9.525 1.00 0.00 C ATOM 858 CG ASP A 57 -18.404 19.503 10.584 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.444 18.353 11.067 1.00 0.00 O ATOM 860 OD2 ASP A 57 -19.180 20.419 10.928 1.00 0.00 O ATOM 0 H ASP A 57 -15.500 19.405 7.960 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.773 17.906 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.366 19.663 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.436 20.850 9.230 1.00 0.00 H new ATOM 865 N GLY A 58 -18.260 20.233 6.393 1.00 0.00 N ATOM 866 CA GLY A 58 -19.245 20.795 5.487 1.00 0.00 C ATOM 867 C GLY A 58 -19.348 20.019 4.189 1.00 0.00 C ATOM 868 O GLY A 58 -20.263 20.241 3.395 1.00 0.00 O ATOM 0 H GLY A 58 -17.294 20.490 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.219 20.809 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.984 21.830 5.268 1.00 0.00 H new ATOM 872 N LEU A 59 -18.407 19.107 3.970 1.00 0.00 N ATOM 873 CA LEU A 59 -18.394 18.296 2.758 1.00 0.00 C ATOM 874 C LEU A 59 -19.759 17.659 2.514 1.00 0.00 C ATOM 875 O LEU A 59 -20.561 17.514 3.436 1.00 0.00 O ATOM 876 CB LEU A 59 -17.322 17.209 2.859 1.00 0.00 C ATOM 877 CG LEU A 59 -16.303 17.163 1.720 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.191 18.173 1.958 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.731 15.761 1.572 1.00 0.00 C ATOM 0 H LEU A 59 -17.643 18.911 4.616 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.162 18.949 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.783 17.345 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.819 16.241 2.914 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.811 17.425 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.475 18.126 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.615 19.175 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.684 17.942 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.008 15.747 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.238 15.469 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.537 15.060 1.354 1.00 0.00 H new ATOM 891 N GLY A 60 -20.014 17.279 1.266 1.00 0.00 N ATOM 892 CA GLY A 60 -21.282 16.660 0.924 1.00 0.00 C ATOM 893 C GLY A 60 -21.369 15.220 1.391 1.00 0.00 C ATOM 894 O GLY A 60 -20.379 14.490 1.358 1.00 0.00 O ATOM 0 H GLY A 60 -19.366 17.388 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.095 17.233 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.421 16.697 -0.156 1.00 0.00 H new ATOM 898 N GLU A 61 -22.556 14.812 1.828 1.00 0.00 N ATOM 899 CA GLU A 61 -22.766 13.450 2.305 1.00 0.00 C ATOM 900 C GLU A 61 -22.223 12.433 1.305 1.00 0.00 C ATOM 901 O GLU A 61 -21.753 11.362 1.688 1.00 0.00 O ATOM 902 CB GLU A 61 -24.255 13.196 2.550 1.00 0.00 C ATOM 903 CG GLU A 61 -24.557 12.625 3.925 1.00 0.00 C ATOM 904 CD GLU A 61 -24.801 13.702 4.964 1.00 0.00 C ATOM 905 OE1 GLU A 61 -23.816 14.314 5.427 1.00 0.00 O ATOM 906 OE2 GLU A 61 -25.978 13.934 5.312 1.00 0.00 O ATOM 0 H GLU A 61 -23.386 15.404 1.862 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.225 13.334 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.800 14.132 2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.627 12.508 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -25.434 11.981 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -23.724 11.999 4.245 1.00 0.00 H new ATOM 913 N GLU A 62 -22.293 12.777 0.023 1.00 0.00 N ATOM 914 CA GLU A 62 -21.810 11.893 -1.031 1.00 0.00 C ATOM 915 C GLU A 62 -20.285 11.833 -1.034 1.00 0.00 C ATOM 916 O GLU A 62 -19.696 10.813 -1.391 1.00 0.00 O ATOM 917 CB GLU A 62 -22.315 12.367 -2.396 1.00 0.00 C ATOM 918 CG GLU A 62 -22.611 11.232 -3.363 1.00 0.00 C ATOM 919 CD GLU A 62 -23.442 11.679 -4.550 1.00 0.00 C ATOM 920 OE1 GLU A 62 -24.685 11.696 -4.429 1.00 0.00 O ATOM 921 OE2 GLU A 62 -22.850 12.011 -5.598 1.00 0.00 O ATOM 0 H GLU A 62 -22.679 13.660 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.196 10.892 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.220 12.958 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.570 13.027 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.672 10.810 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.137 10.437 -2.834 1.00 0.00 H new ATOM 928 N GLN A 63 -19.655 12.933 -0.636 1.00 0.00 N ATOM 929 CA GLN A 63 -18.199 13.006 -0.594 1.00 0.00 C ATOM 930 C GLN A 63 -17.655 12.315 0.652 1.00 0.00 C ATOM 931 O GLN A 63 -16.584 11.707 0.621 1.00 0.00 O ATOM 932 CB GLN A 63 -17.739 14.464 -0.625 1.00 0.00 C ATOM 933 CG GLN A 63 -18.089 15.185 -1.916 1.00 0.00 C ATOM 934 CD GLN A 63 -17.362 16.508 -2.062 1.00 0.00 C ATOM 935 OE1 GLN A 63 -17.589 17.442 -1.293 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.482 16.593 -3.053 1.00 0.00 N ATOM 0 H GLN A 63 -20.129 13.786 -0.338 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.809 12.491 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.190 14.996 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.659 14.499 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.844 14.545 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -19.164 15.360 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.326 15.793 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.962 17.458 -3.201 1.00 0.00 H new ATOM 945 N LYS A 64 -18.399 12.412 1.749 1.00 0.00 N ATOM 946 CA LYS A 64 -17.993 11.796 3.006 1.00 0.00 C ATOM 947 C LYS A 64 -18.120 10.277 2.934 1.00 0.00 C ATOM 948 O LYS A 64 -17.196 9.551 3.300 1.00 0.00 O ATOM 949 CB LYS A 64 -18.842 12.335 4.160 1.00 0.00 C ATOM 950 CG LYS A 64 -18.344 13.658 4.715 1.00 0.00 C ATOM 951 CD LYS A 64 -19.062 14.029 6.001 1.00 0.00 C ATOM 952 CE LYS A 64 -18.604 15.381 6.525 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.321 15.764 7.773 1.00 0.00 N ATOM 0 H LYS A 64 -19.287 12.912 1.792 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.947 12.048 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.869 12.458 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.860 11.597 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.272 13.595 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.493 14.444 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.137 14.051 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.878 13.264 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.531 15.352 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.771 16.142 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.440 16.797 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.255 15.307 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.769 15.456 8.599 1.00 0.00 H new ATOM 967 N GLN A 65 -19.268 9.806 2.460 1.00 0.00 N ATOM 968 CA GLN A 65 -19.514 8.374 2.340 1.00 0.00 C ATOM 969 C GLN A 65 -18.412 7.698 1.531 1.00 0.00 C ATOM 970 O GLN A 65 -17.789 6.740 1.989 1.00 0.00 O ATOM 971 CB GLN A 65 -20.873 8.121 1.684 1.00 0.00 C ATOM 972 CG GLN A 65 -21.112 8.959 0.438 1.00 0.00 C ATOM 973 CD GLN A 65 -20.941 8.164 -0.841 1.00 0.00 C ATOM 974 OE1 GLN A 65 -19.927 8.283 -1.529 1.00 0.00 O ATOM 975 NE2 GLN A 65 -21.935 7.346 -1.167 1.00 0.00 N ATOM 0 H GLN A 65 -20.042 10.395 2.153 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.518 7.947 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.950 7.066 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.661 8.328 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.119 9.374 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.420 9.801 0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.757 7.279 -0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.876 6.785 -2.017 1.00 0.00 H new ATOM 984 N VAL A 66 -18.176 8.203 0.324 1.00 0.00 N ATOM 985 CA VAL A 66 -17.149 7.649 -0.549 1.00 0.00 C ATOM 986 C VAL A 66 -15.824 7.495 0.189 1.00 0.00 C ATOM 987 O VAL A 66 -15.161 6.463 0.087 1.00 0.00 O ATOM 988 CB VAL A 66 -16.931 8.533 -1.792 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.732 9.985 -1.385 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.747 8.030 -2.602 1.00 0.00 C ATOM 0 H VAL A 66 -18.683 8.995 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.501 6.668 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.821 8.475 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.579 10.595 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.614 10.337 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.859 10.065 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.608 8.666 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.848 8.057 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.936 7.006 -2.925 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.445 8.527 0.934 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.198 8.508 1.690 1.00 0.00 C ATOM 1002 C TYR A 67 -14.195 7.371 2.707 1.00 0.00 C ATOM 1003 O TYR A 67 -13.147 6.808 3.024 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.989 9.845 2.402 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.286 10.880 1.553 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.049 10.613 0.980 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.858 12.125 1.325 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.402 11.555 0.204 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.219 13.074 0.550 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.992 12.784 -0.009 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.352 13.726 -0.781 1.00 0.00 O ATOM 0 H TYR A 67 -15.984 9.388 1.031 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.380 8.346 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.958 10.238 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.409 9.677 3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.585 9.652 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.819 12.355 1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.440 11.331 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.678 14.037 0.383 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.986 14.430 -1.030 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.377 7.037 3.214 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.514 5.966 4.194 1.00 0.00 C ATOM 1023 C LYS A 68 -15.447 4.599 3.520 1.00 0.00 C ATOM 1024 O LYS A 68 -14.928 3.639 4.089 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.835 6.107 4.953 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.048 7.487 5.551 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.199 7.423 7.062 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.663 7.426 7.476 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.149 6.057 7.803 1.00 0.00 N ATOM 0 H LYS A 68 -16.254 7.493 2.962 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.686 6.045 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.659 5.882 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.867 5.365 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.205 8.129 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.938 7.940 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.715 6.522 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.690 8.273 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.794 8.075 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.267 7.843 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.150 6.101 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.047 5.444 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.589 5.668 8.588 1.00 0.00 H new ATOM 1043 N LYS A 69 -15.973 4.519 2.302 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.971 3.271 1.548 1.00 0.00 C ATOM 1045 C LYS A 69 -14.567 2.937 1.054 1.00 0.00 C ATOM 1046 O LYS A 69 -14.262 1.783 0.751 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.932 3.367 0.361 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.370 3.030 0.714 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.123 4.253 1.211 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.580 3.929 1.504 1.00 0.00 C ATOM 1051 NZ LYS A 69 -20.864 3.928 2.966 1.00 0.00 N ATOM 0 H LYS A 69 -16.406 5.304 1.816 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.303 2.473 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.894 4.378 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.592 2.694 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.875 2.622 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.386 2.255 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.645 4.634 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.068 5.044 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.221 4.659 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.827 2.953 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.867 3.703 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.271 3.214 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.653 4.867 3.361 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.715 3.953 0.975 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.342 3.767 0.520 1.00 0.00 C ATOM 1067 C LYS A 70 -11.441 3.336 1.673 1.00 0.00 C ATOM 1068 O LYS A 70 -10.408 2.697 1.463 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.809 5.061 -0.101 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.473 5.421 -1.418 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.589 6.326 -2.259 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.415 7.272 -3.117 1.00 0.00 C ATOM 1073 NZ LYS A 70 -12.055 7.170 -4.559 1.00 0.00 N ATOM 0 H LYS A 70 -13.951 4.915 1.220 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.339 2.981 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.953 5.879 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.735 4.963 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.697 4.511 -1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.423 5.918 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.933 6.903 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.949 5.719 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.474 7.047 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.264 8.296 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.640 7.830 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.051 7.410 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.223 6.199 -4.891 1.00 0.00 H new ATOM 1087 N THR A 71 -11.837 3.687 2.892 1.00 0.00 N ATOM 1088 CA THR A 71 -11.066 3.335 4.078 1.00 0.00 C ATOM 1089 C THR A 71 -10.997 1.824 4.261 1.00 0.00 C ATOM 1090 O THR A 71 -9.920 1.232 4.210 1.00 0.00 O ATOM 1091 CB THR A 71 -11.667 3.968 5.347 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.302 5.209 5.022 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.591 4.203 6.396 1.00 0.00 C ATOM 0 H THR A 71 -12.688 4.215 3.084 1.00 0.00 H new ATOM 0 HA THR A 71 -10.060 3.726 3.928 1.00 0.00 H new ATOM 0 HB THR A 71 -12.406 3.278 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.683 5.604 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.039 4.651 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.129 3.252 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.832 4.875 5.995 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.154 1.205 4.474 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.224 -0.239 4.665 1.00 0.00 C ATOM 1103 C GLU A 72 -11.624 -0.975 3.470 1.00 0.00 C ATOM 1104 O GLU A 72 -10.947 -1.991 3.629 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.674 -0.679 4.873 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.481 -0.746 3.588 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.801 -1.471 3.764 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -16.390 -1.373 4.861 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.245 -2.136 2.805 1.00 0.00 O ATOM 0 H GLU A 72 -13.055 1.681 4.519 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.645 -0.491 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.682 -1.660 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.159 0.013 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.672 0.266 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.894 -1.250 2.821 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.878 -0.455 2.274 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.363 -1.061 1.052 1.00 0.00 C ATOM 1118 C ALA A 73 -9.840 -1.010 1.014 1.00 0.00 C ATOM 1119 O ALA A 73 -9.192 -1.908 0.476 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.947 -0.366 -0.169 1.00 0.00 C ATOM 0 H ALA A 73 -12.437 0.385 2.125 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.666 -2.108 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.554 -0.829 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.033 -0.459 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.673 0.689 -0.153 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.273 0.047 1.588 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.826 0.214 1.620 1.00 0.00 C ATOM 1128 C ALA A 74 -7.236 -0.356 2.906 1.00 0.00 C ATOM 1129 O ALA A 74 -6.025 -0.556 3.011 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.461 1.684 1.476 1.00 0.00 C ATOM 0 H ALA A 74 -9.795 0.800 2.037 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.403 -0.338 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.377 1.794 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.842 2.062 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.903 2.251 2.296 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.098 -0.616 3.883 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.664 -1.163 5.162 1.00 0.00 C ATOM 1138 C LYS A 75 -7.582 -2.685 5.103 1.00 0.00 C ATOM 1139 O LYS A 75 -6.519 -3.269 5.313 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.623 -0.736 6.275 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.643 -1.687 7.460 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.605 -0.935 8.779 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.869 -0.117 8.992 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.580 -0.509 10.240 1.00 0.00 N ATOM 0 H LYS A 75 -9.103 -0.456 3.813 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.670 -0.771 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.343 0.258 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.630 -0.658 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.541 -2.304 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.789 -2.362 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.486 -1.643 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.737 -0.276 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.613 0.942 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.534 -0.248 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.436 0.072 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.847 -1.513 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.954 -0.360 11.057 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.712 -3.323 4.815 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.769 -4.777 4.725 1.00 0.00 C ATOM 1160 C LYS A 76 -7.644 -5.312 3.845 1.00 0.00 C ATOM 1161 O LYS A 76 -7.176 -6.435 4.034 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.122 -5.222 4.166 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.269 -6.729 4.055 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.695 -7.127 3.712 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.163 -8.305 4.554 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.213 -9.101 3.859 1.00 0.00 N ATOM 0 H LYS A 76 -9.601 -2.855 4.640 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.646 -5.183 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.915 -4.834 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.262 -4.778 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.591 -7.106 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.977 -7.194 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.359 -6.278 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.757 -7.386 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.313 -8.947 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.553 -7.940 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.505 -9.894 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.035 -8.495 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.833 -9.471 2.964 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.213 -4.501 2.883 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.142 -4.894 1.975 1.00 0.00 C ATOM 1182 C GLU A 77 -4.777 -4.700 2.628 1.00 0.00 C ATOM 1183 O GLU A 77 -3.939 -5.602 2.621 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.220 -4.085 0.679 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.235 -2.930 0.622 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.236 -2.228 -0.722 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -5.933 -2.707 -1.641 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.540 -1.200 -0.855 1.00 0.00 O ATOM 0 H GLU A 77 -7.589 -3.568 2.713 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.267 -5.952 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.037 -4.749 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.231 -3.695 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.479 -2.211 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.232 -3.302 0.833 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.560 -3.516 3.190 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.296 -3.201 3.845 1.00 0.00 C ATOM 1197 C TYR A 78 -2.943 -4.258 4.886 1.00 0.00 C ATOM 1198 O TYR A 78 -1.792 -4.686 4.989 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.369 -1.823 4.505 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.250 -1.563 5.488 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -0.991 -1.171 5.051 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.452 -1.708 6.855 1.00 0.00 C ATOM 1203 CE1 TYR A 78 0.034 -0.933 5.945 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.433 -1.470 7.757 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.192 -1.084 7.297 1.00 0.00 C ATOM 1206 OH TYR A 78 0.827 -0.846 8.192 1.00 0.00 O ATOM 0 H TYR A 78 -5.243 -2.759 3.205 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.515 -3.192 3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.346 -1.057 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.324 -1.727 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.811 -1.050 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.422 -2.012 7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.007 -0.630 5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.608 -1.586 8.817 1.00 0.00 H new ATOM 0 HH TYR A 78 0.503 -0.996 9.104 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.941 -4.676 5.657 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.738 -5.685 6.691 1.00 0.00 C ATOM 1218 C LEU A 79 -3.260 -7.000 6.083 1.00 0.00 C ATOM 1219 O LEU A 79 -2.405 -7.683 6.648 1.00 0.00 O ATOM 1220 CB LEU A 79 -5.035 -5.912 7.470 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.713 -4.659 8.024 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -7.158 -4.954 8.395 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.950 -4.128 9.229 1.00 0.00 C ATOM 0 H LEU A 79 -4.899 -4.332 5.586 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.970 -5.321 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.742 -6.425 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.823 -6.584 8.302 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.707 -3.893 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.625 -4.050 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.700 -5.287 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.186 -5.736 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.447 -3.236 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.924 -4.890 10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.931 -3.877 8.933 1.00 0.00 H new