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 Set 1.1: A 65 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.83) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=0) 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 97:sc= 0.706 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,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= -2.23 K(o=-2.2,f=-2.9!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 49 SER OG : rot -60:sc= 0.569 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 149:sc= -1.59! (180deg=-2.86!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -93:sc= -0.688 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 -3.508 2.949 5.951 1.00 0.00 N ATOM 307 CA PRO A 21 -4.476 3.952 5.496 1.00 0.00 C ATOM 308 C PRO A 21 -5.022 4.793 6.645 1.00 0.00 C ATOM 309 O PRO A 21 -4.847 4.453 7.815 1.00 0.00 O ATOM 310 CB PRO A 21 -5.592 3.111 4.871 1.00 0.00 C ATOM 311 CG PRO A 21 -5.496 1.789 5.552 1.00 0.00 C ATOM 312 CD PRO A 21 -4.036 1.579 5.845 1.00 0.00 C ATOM 0 HA PRO A 21 -4.028 4.668 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.569 3.568 5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.458 3.012 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.084 1.779 6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.885 0.993 4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.888 1.019 6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.543 1.019 5.050 1.00 0.00 H new ATOM 320 N VAL A 22 -5.686 5.893 6.303 1.00 0.00 N ATOM 321 CA VAL A 22 -6.260 6.783 7.306 1.00 0.00 C ATOM 322 C VAL A 22 -7.783 6.754 7.258 1.00 0.00 C ATOM 323 O VAL A 22 -8.376 6.404 6.238 1.00 0.00 O ATOM 324 CB VAL A 22 -5.778 8.233 7.112 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.260 8.283 7.021 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.415 8.844 5.873 1.00 0.00 C ATOM 0 H VAL A 22 -5.840 6.189 5.339 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.923 6.424 8.278 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.086 8.819 7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.938 9.315 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.827 7.886 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.926 7.683 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.064 9.869 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.139 8.259 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.499 8.843 5.983 1.00 0.00 H new ATOM 336 N SER A 23 -8.412 7.126 8.369 1.00 0.00 N ATOM 337 CA SER A 23 -9.867 7.140 8.455 1.00 0.00 C ATOM 338 C SER A 23 -10.470 7.968 7.324 1.00 0.00 C ATOM 339 O SER A 23 -9.782 8.767 6.690 1.00 0.00 O ATOM 340 CB SER A 23 -10.314 7.701 9.807 1.00 0.00 C ATOM 341 OG SER A 23 -9.747 8.978 10.042 1.00 0.00 O ATOM 0 H SER A 23 -7.936 7.422 9.221 1.00 0.00 H new ATOM 0 HA SER A 23 -10.222 6.114 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.401 7.772 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.020 7.017 10.603 1.00 0.00 H new ATOM 0 HG SER A 23 -10.049 9.315 10.911 1.00 0.00 H new ATOM 347 N ALA A 24 -11.761 7.769 7.078 1.00 0.00 N ATOM 348 CA ALA A 24 -12.459 8.498 6.026 1.00 0.00 C ATOM 349 C ALA A 24 -12.132 9.987 6.079 1.00 0.00 C ATOM 350 O ALA A 24 -11.555 10.539 5.143 1.00 0.00 O ATOM 351 CB ALA A 24 -13.961 8.281 6.140 1.00 0.00 C ATOM 0 H ALA A 24 -12.344 7.109 7.593 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.119 8.112 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.469 8.831 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.183 7.218 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.308 8.638 7.110 1.00 0.00 H new ATOM 357 N TYR A 25 -12.506 10.630 7.179 1.00 0.00 N ATOM 358 CA TYR A 25 -12.255 12.056 7.353 1.00 0.00 C ATOM 359 C TYR A 25 -10.783 12.382 7.124 1.00 0.00 C ATOM 360 O TYR A 25 -10.439 13.484 6.698 1.00 0.00 O ATOM 361 CB TYR A 25 -12.676 12.502 8.755 1.00 0.00 C ATOM 362 CG TYR A 25 -12.032 13.796 9.197 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.046 14.918 8.377 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.410 13.898 10.436 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.458 16.102 8.777 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.821 15.079 10.844 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.847 16.178 10.011 1.00 0.00 C ATOM 368 OH TYR A 25 -10.261 17.356 10.414 1.00 0.00 O ATOM 0 H TYR A 25 -12.984 10.187 7.964 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.847 12.596 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.760 12.618 8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.423 11.718 9.468 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.525 14.863 7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.387 13.039 11.091 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.477 16.964 8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.343 15.141 11.810 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.877 17.241 11.308 1.00 0.00 H new ATOM 378 N ALA A 26 -9.918 11.414 7.409 1.00 0.00 N ATOM 379 CA ALA A 26 -8.482 11.596 7.232 1.00 0.00 C ATOM 380 C ALA A 26 -8.094 11.498 5.761 1.00 0.00 C ATOM 381 O ALA A 26 -7.214 12.221 5.291 1.00 0.00 O ATOM 382 CB ALA A 26 -7.715 10.569 8.052 1.00 0.00 C ATOM 0 H ALA A 26 -10.186 10.496 7.763 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.221 12.594 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.644 10.716 7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.961 10.688 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.989 9.565 7.727 1.00 0.00 H new ATOM 388 N LEU A 27 -8.755 10.600 5.038 1.00 0.00 N ATOM 389 CA LEU A 27 -8.478 10.407 3.619 1.00 0.00 C ATOM 390 C LEU A 27 -8.652 11.712 2.848 1.00 0.00 C ATOM 391 O LEU A 27 -8.013 11.926 1.817 1.00 0.00 O ATOM 392 CB LEU A 27 -9.401 9.333 3.041 1.00 0.00 C ATOM 393 CG LEU A 27 -8.787 7.943 2.869 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.836 6.865 3.098 1.00 0.00 C ATOM 395 CD2 LEU A 27 -8.166 7.800 1.488 1.00 0.00 C ATOM 0 H LEU A 27 -9.486 9.994 5.411 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.443 10.081 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.274 9.245 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.758 9.674 2.069 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.000 7.820 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.382 5.882 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.234 6.953 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.645 6.986 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.734 6.805 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.933 7.944 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.385 8.549 1.361 1.00 0.00 H new ATOM 407 N PHE A 28 -9.520 12.581 3.354 1.00 0.00 N ATOM 408 CA PHE A 28 -9.777 13.866 2.714 1.00 0.00 C ATOM 409 C PHE A 28 -8.802 14.928 3.214 1.00 0.00 C ATOM 410 O PHE A 28 -8.633 15.975 2.589 1.00 0.00 O ATOM 411 CB PHE A 28 -11.216 14.313 2.979 1.00 0.00 C ATOM 412 CG PHE A 28 -11.439 15.782 2.758 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.535 16.295 1.474 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.551 16.649 3.832 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.738 17.646 1.268 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.755 18.001 3.632 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.850 18.500 2.348 1.00 0.00 C ATOM 0 H PHE A 28 -10.058 12.419 4.206 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.634 13.744 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.888 13.750 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.482 14.064 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.450 15.632 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.478 16.264 4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.809 18.034 0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.840 18.666 4.479 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.012 19.556 2.188 1.00 0.00 H new ATOM 427 N PHE A 29 -8.164 14.650 4.346 1.00 0.00 N ATOM 428 CA PHE A 29 -7.207 15.581 4.932 1.00 0.00 C ATOM 429 C PHE A 29 -5.893 15.570 4.157 1.00 0.00 C ATOM 430 O PHE A 29 -5.379 16.620 3.770 1.00 0.00 O ATOM 431 CB PHE A 29 -6.951 15.227 6.398 1.00 0.00 C ATOM 432 CG PHE A 29 -6.015 16.177 7.090 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.678 16.238 6.732 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.473 17.009 8.099 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.815 17.111 7.366 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.615 17.885 8.736 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.284 17.935 8.370 1.00 0.00 C ATOM 0 H PHE A 29 -8.292 13.788 4.876 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.632 16.583 4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.901 15.213 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.540 14.219 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.306 15.595 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.512 16.972 8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.775 17.149 7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.985 18.530 9.519 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.611 18.617 8.868 1.00 0.00 H new ATOM 447 N ARG A 30 -5.354 14.376 3.935 1.00 0.00 N ATOM 448 CA ARG A 30 -4.099 14.227 3.208 1.00 0.00 C ATOM 449 C ARG A 30 -4.257 14.664 1.755 1.00 0.00 C ATOM 450 O ARG A 30 -3.275 14.966 1.077 1.00 0.00 O ATOM 451 CB ARG A 30 -3.621 12.775 3.266 1.00 0.00 C ATOM 452 CG ARG A 30 -4.677 11.768 2.841 1.00 0.00 C ATOM 453 CD ARG A 30 -4.111 10.358 2.783 1.00 0.00 C ATOM 454 NE ARG A 30 -3.492 10.068 1.493 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.219 10.323 1.215 1.00 0.00 C ATOM 456 NH1 ARG A 30 -1.433 10.869 2.132 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.728 10.031 0.017 1.00 0.00 N ATOM 0 H ARG A 30 -5.767 13.497 4.248 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.355 14.867 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.746 12.664 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.302 12.547 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.512 11.797 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.071 12.043 1.863 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.373 10.231 3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.909 9.639 2.972 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.069 9.646 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.806 11.094 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.455 11.064 1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.329 9.610 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.750 10.228 -0.195 1.00 0.00 H new ATOM 471 N ASP A 31 -5.499 14.693 1.283 1.00 0.00 N ATOM 472 CA ASP A 31 -5.786 15.094 -0.089 1.00 0.00 C ATOM 473 C ASP A 31 -5.841 16.613 -0.212 1.00 0.00 C ATOM 474 O ASP A 31 -5.347 17.188 -1.183 1.00 0.00 O ATOM 475 CB ASP A 31 -7.109 14.484 -0.555 1.00 0.00 C ATOM 476 CG ASP A 31 -6.945 13.615 -1.786 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.430 14.122 -2.805 1.00 0.00 O ATOM 478 OD2 ASP A 31 -7.331 12.428 -1.731 1.00 0.00 O ATOM 0 H ASP A 31 -6.323 14.444 1.831 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.981 14.726 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.535 13.888 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.818 15.283 -0.770 1.00 0.00 H new ATOM 483 N THR A 32 -6.446 17.260 0.779 1.00 0.00 N ATOM 484 CA THR A 32 -6.568 18.713 0.782 1.00 0.00 C ATOM 485 C THR A 32 -5.286 19.371 1.277 1.00 0.00 C ATOM 486 O THR A 32 -4.737 20.253 0.617 1.00 0.00 O ATOM 487 CB THR A 32 -7.743 19.176 1.663 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.886 18.345 1.433 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.098 20.627 1.373 1.00 0.00 C ATOM 0 H THR A 32 -6.859 16.801 1.590 1.00 0.00 H new ATOM 0 HA THR A 32 -6.754 19.017 -0.248 1.00 0.00 H new ATOM 0 HB THR A 32 -7.439 19.094 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.931 17.652 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.931 20.932 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.235 21.261 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.383 20.730 0.326 1.00 0.00 H new ATOM 497 N GLN A 33 -4.814 18.937 2.441 1.00 0.00 N ATOM 498 CA GLN A 33 -3.595 19.485 3.023 1.00 0.00 C ATOM 499 C GLN A 33 -2.590 19.853 1.937 1.00 0.00 C ATOM 500 O GLN A 33 -2.077 20.971 1.905 1.00 0.00 O ATOM 501 CB GLN A 33 -2.971 18.481 3.993 1.00 0.00 C ATOM 502 CG GLN A 33 -1.594 18.889 4.490 1.00 0.00 C ATOM 503 CD GLN A 33 -0.604 17.741 4.476 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.355 17.108 5.502 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.033 17.466 3.309 1.00 0.00 N ATOM 0 H GLN A 33 -5.257 18.208 2.999 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.859 20.391 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.634 18.355 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.898 17.511 3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.213 19.700 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.679 19.278 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.269 18.017 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.641 16.704 3.238 1.00 0.00 H new ATOM 514 N ALA A 34 -2.313 18.904 1.048 1.00 0.00 N ATOM 515 CA ALA A 34 -1.371 19.129 -0.041 1.00 0.00 C ATOM 516 C ALA A 34 -1.721 20.394 -0.817 1.00 0.00 C ATOM 517 O ALA A 34 -0.864 21.245 -1.054 1.00 0.00 O ATOM 518 CB ALA A 34 -1.344 17.926 -0.973 1.00 0.00 C ATOM 0 H ALA A 34 -2.728 17.972 1.061 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.379 19.262 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.636 18.108 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.038 17.041 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.338 17.767 -1.390 1.00 0.00 H new ATOM 524 N ALA A 35 -2.984 20.511 -1.212 1.00 0.00 N ATOM 525 CA ALA A 35 -3.447 21.673 -1.960 1.00 0.00 C ATOM 526 C ALA A 35 -3.444 22.924 -1.088 1.00 0.00 C ATOM 527 O ALA A 35 -3.223 24.032 -1.578 1.00 0.00 O ATOM 528 CB ALA A 35 -4.839 21.420 -2.520 1.00 0.00 C ATOM 0 H ALA A 35 -3.706 19.814 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.759 21.839 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.172 22.296 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.812 20.557 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.531 21.226 -1.701 1.00 0.00 H new ATOM 534 N ILE A 36 -3.692 22.739 0.204 1.00 0.00 N ATOM 535 CA ILE A 36 -3.718 23.854 1.143 1.00 0.00 C ATOM 536 C ILE A 36 -2.365 24.555 1.201 1.00 0.00 C ATOM 537 O ILE A 36 -2.259 25.749 0.924 1.00 0.00 O ATOM 538 CB ILE A 36 -4.104 23.388 2.559 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.485 22.730 2.545 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.080 24.561 3.528 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.612 23.697 2.256 1.00 0.00 C ATOM 0 H ILE A 36 -3.878 21.828 0.624 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.472 24.554 0.782 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.375 22.650 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.494 21.939 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.662 22.256 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.355 24.215 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.078 24.989 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.790 25.320 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.561 23.161 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.629 24.474 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.458 24.153 1.278 1.00 0.00 H new ATOM 553 N LYS A 37 -1.331 23.803 1.563 1.00 0.00 N ATOM 554 CA LYS A 37 0.018 24.349 1.655 1.00 0.00 C ATOM 555 C LYS A 37 0.453 24.953 0.323 1.00 0.00 C ATOM 556 O LYS A 37 0.998 26.054 0.279 1.00 0.00 O ATOM 557 CB LYS A 37 1.004 23.259 2.079 1.00 0.00 C ATOM 558 CG LYS A 37 1.491 23.402 3.511 1.00 0.00 C ATOM 559 CD LYS A 37 2.978 23.712 3.566 1.00 0.00 C ATOM 560 CE LYS A 37 3.788 22.489 3.968 1.00 0.00 C ATOM 561 NZ LYS A 37 4.921 22.845 4.866 1.00 0.00 N ATOM 0 H LYS A 37 -1.402 22.813 1.798 1.00 0.00 H new ATOM 0 HA LYS A 37 0.013 25.138 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.529 22.285 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.863 23.277 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.934 24.196 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.290 22.481 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.313 24.067 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.157 24.518 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.138 21.772 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.173 21.999 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.448 21.985 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.555 23.510 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.552 23.290 5.731 1.00 0.00 H new ATOM 575 N GLY A 38 0.206 24.224 -0.761 1.00 0.00 N ATOM 576 CA GLY A 38 0.577 24.704 -2.079 1.00 0.00 C ATOM 577 C GLY A 38 0.115 26.126 -2.329 1.00 0.00 C ATOM 578 O GLY A 38 0.780 26.887 -3.031 1.00 0.00 O ATOM 0 H GLY A 38 -0.245 23.309 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.660 24.652 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.148 24.047 -2.836 1.00 0.00 H new ATOM 582 N GLN A 39 -1.029 26.484 -1.754 1.00 0.00 N ATOM 583 CA GLN A 39 -1.581 27.824 -1.921 1.00 0.00 C ATOM 584 C GLN A 39 -1.221 28.712 -0.735 1.00 0.00 C ATOM 585 O GLN A 39 -1.199 29.937 -0.849 1.00 0.00 O ATOM 586 CB GLN A 39 -3.101 27.756 -2.080 1.00 0.00 C ATOM 587 CG GLN A 39 -3.554 27.562 -3.518 1.00 0.00 C ATOM 588 CD GLN A 39 -5.029 27.858 -3.710 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.413 28.991 -4.002 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.864 26.838 -3.546 1.00 0.00 N ATOM 0 H GLN A 39 -1.591 25.866 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.148 28.259 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.485 26.936 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.540 28.674 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.969 28.211 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.350 26.536 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.501 25.916 -3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.868 26.977 -3.662 1.00 0.00 H new ATOM 599 N ASN A 40 -0.938 28.086 0.403 1.00 0.00 N ATOM 600 CA ASN A 40 -0.580 28.821 1.611 1.00 0.00 C ATOM 601 C ASN A 40 0.373 28.007 2.480 1.00 0.00 C ATOM 602 O ASN A 40 -0.027 27.371 3.456 1.00 0.00 O ATOM 603 CB ASN A 40 -1.836 29.178 2.407 1.00 0.00 C ATOM 604 CG ASN A 40 -3.079 29.220 1.539 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.191 30.048 0.635 1.00 0.00 O ATOM 606 ND2 ASN A 40 -4.021 28.324 1.811 1.00 0.00 N ATOM 0 H ASN A 40 -0.950 27.072 0.514 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.075 29.740 1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.977 28.448 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.697 30.148 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.880 28.304 1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.886 27.656 2.570 1.00 0.00 H new ATOM 613 N PRO A 41 1.665 28.025 2.120 1.00 0.00 N ATOM 614 CA PRO A 41 2.702 27.294 2.854 1.00 0.00 C ATOM 615 C PRO A 41 2.975 27.899 4.227 1.00 0.00 C ATOM 616 O PRO A 41 3.336 27.192 5.167 1.00 0.00 O ATOM 617 CB PRO A 41 3.934 27.429 1.956 1.00 0.00 C ATOM 618 CG PRO A 41 3.700 28.676 1.175 1.00 0.00 C ATOM 619 CD PRO A 41 2.213 28.761 0.968 1.00 0.00 C ATOM 0 HA PRO A 41 2.412 26.262 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.848 27.497 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.042 26.565 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.070 29.549 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.226 28.643 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.868 29.795 0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.912 28.309 0.023 1.00 0.00 H new ATOM 627 N ASN A 42 2.800 29.212 4.336 1.00 0.00 N ATOM 628 CA ASN A 42 3.028 29.912 5.595 1.00 0.00 C ATOM 629 C ASN A 42 2.201 29.294 6.718 1.00 0.00 C ATOM 630 O ASN A 42 2.595 29.328 7.884 1.00 0.00 O ATOM 631 CB ASN A 42 2.681 31.395 5.448 1.00 0.00 C ATOM 632 CG ASN A 42 3.861 32.297 5.750 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.961 32.093 5.236 1.00 0.00 O ATOM 634 ND2 ASN A 42 3.638 33.303 6.588 1.00 0.00 N ATOM 0 H ASN A 42 2.501 29.813 3.568 1.00 0.00 H new ATOM 0 HA ASN A 42 4.084 29.816 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.332 31.585 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.858 31.641 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.394 33.944 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.710 33.435 6.991 1.00 0.00 H new ATOM 641 N ALA A 43 1.053 28.728 6.359 1.00 0.00 N ATOM 642 CA ALA A 43 0.173 28.100 7.336 1.00 0.00 C ATOM 643 C ALA A 43 0.791 26.821 7.890 1.00 0.00 C ATOM 644 O ALA A 43 0.933 25.827 7.177 1.00 0.00 O ATOM 645 CB ALA A 43 -1.183 27.804 6.711 1.00 0.00 C ATOM 0 H ALA A 43 0.711 28.692 5.399 1.00 0.00 H new ATOM 0 HA ALA A 43 0.036 28.795 8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.831 27.335 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.637 28.734 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.054 27.131 5.864 1.00 0.00 H new ATOM 651 N THR A 44 1.159 26.853 9.167 1.00 0.00 N ATOM 652 CA THR A 44 1.765 25.697 9.817 1.00 0.00 C ATOM 653 C THR A 44 0.786 24.531 9.888 1.00 0.00 C ATOM 654 O THR A 44 -0.417 24.703 9.688 1.00 0.00 O ATOM 655 CB THR A 44 2.242 26.039 11.241 1.00 0.00 C ATOM 656 OG1 THR A 44 2.988 24.944 11.784 1.00 0.00 O ATOM 657 CG2 THR A 44 1.061 26.354 12.147 1.00 0.00 C ATOM 0 H THR A 44 1.048 27.667 9.772 1.00 0.00 H new ATOM 0 HA THR A 44 2.626 25.410 9.213 1.00 0.00 H new ATOM 0 HB THR A 44 2.881 26.920 11.184 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.289 25.170 12.689 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.423 26.592 13.147 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.513 27.207 11.747 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.400 25.489 12.197 1.00 0.00 H new ATOM 665 N PHE A 45 1.308 23.343 10.175 1.00 0.00 N ATOM 666 CA PHE A 45 0.479 22.147 10.272 1.00 0.00 C ATOM 667 C PHE A 45 -0.835 22.452 10.985 1.00 0.00 C ATOM 668 O PHE A 45 -1.906 22.041 10.539 1.00 0.00 O ATOM 669 CB PHE A 45 1.230 21.040 11.015 1.00 0.00 C ATOM 670 CG PHE A 45 0.661 19.669 10.781 1.00 0.00 C ATOM 671 CD1 PHE A 45 0.616 19.132 9.504 1.00 0.00 C ATOM 672 CD2 PHE A 45 0.173 18.917 11.838 1.00 0.00 C ATOM 673 CE1 PHE A 45 0.092 17.872 9.287 1.00 0.00 C ATOM 674 CE2 PHE A 45 -0.351 17.656 11.626 1.00 0.00 C ATOM 675 CZ PHE A 45 -0.390 17.132 10.349 1.00 0.00 C ATOM 0 H PHE A 45 2.301 23.183 10.344 1.00 0.00 H new ATOM 0 HA PHE A 45 0.253 21.809 9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.275 21.049 10.705 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.213 21.254 12.084 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.994 19.704 8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.203 19.321 12.839 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.059 17.466 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.730 17.081 12.458 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.797 16.146 10.181 1.00 0.00 H new ATOM 685 N GLY A 46 -0.745 23.177 12.096 1.00 0.00 N ATOM 686 CA GLY A 46 -1.932 23.525 12.853 1.00 0.00 C ATOM 687 C GLY A 46 -2.954 24.272 12.019 1.00 0.00 C ATOM 688 O GLY A 46 -4.146 23.968 12.068 1.00 0.00 O ATOM 0 H GLY A 46 0.130 23.529 12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.385 22.617 13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.647 24.138 13.708 1.00 0.00 H new ATOM 692 N GLU A 47 -2.487 25.252 11.252 1.00 0.00 N ATOM 693 CA GLU A 47 -3.370 26.045 10.405 1.00 0.00 C ATOM 694 C GLU A 47 -4.009 25.179 9.323 1.00 0.00 C ATOM 695 O GLU A 47 -5.230 25.030 9.272 1.00 0.00 O ATOM 696 CB GLU A 47 -2.597 27.197 9.760 1.00 0.00 C ATOM 697 CG GLU A 47 -2.955 28.562 10.324 1.00 0.00 C ATOM 698 CD GLU A 47 -4.058 29.246 9.539 1.00 0.00 C ATOM 699 OE1 GLU A 47 -5.238 28.891 9.740 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.739 30.136 8.723 1.00 0.00 O ATOM 0 H GLU A 47 -1.503 25.516 11.200 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.161 26.455 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.529 27.027 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.788 27.195 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.268 28.451 11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.068 29.195 10.324 1.00 0.00 H new ATOM 707 N VAL A 48 -3.175 24.610 8.459 1.00 0.00 N ATOM 708 CA VAL A 48 -3.657 23.758 7.378 1.00 0.00 C ATOM 709 C VAL A 48 -4.733 22.798 7.873 1.00 0.00 C ATOM 710 O VAL A 48 -5.711 22.532 7.174 1.00 0.00 O ATOM 711 CB VAL A 48 -2.509 22.945 6.750 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.047 21.984 5.701 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.466 23.875 6.148 1.00 0.00 C ATOM 0 H VAL A 48 -2.162 24.723 8.486 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.082 24.417 6.621 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.031 22.358 7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.222 21.418 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.754 21.297 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.552 22.547 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.662 23.284 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.929 24.489 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.059 24.519 6.928 1.00 0.00 H new ATOM 723 N SER A 49 -4.546 22.282 9.084 1.00 0.00 N ATOM 724 CA SER A 49 -5.500 21.348 9.672 1.00 0.00 C ATOM 725 C SER A 49 -6.783 22.067 10.079 1.00 0.00 C ATOM 726 O SER A 49 -7.874 21.721 9.625 1.00 0.00 O ATOM 727 CB SER A 49 -4.883 20.654 10.887 1.00 0.00 C ATOM 728 OG SER A 49 -4.856 21.518 12.009 1.00 0.00 O ATOM 0 H SER A 49 -3.743 22.495 9.677 1.00 0.00 H new ATOM 0 HA SER A 49 -5.747 20.598 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.456 19.758 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.870 20.330 10.649 1.00 0.00 H new ATOM 0 HG SER A 49 -4.324 22.313 11.797 1.00 0.00 H new ATOM 734 N LYS A 50 -6.644 23.070 10.940 1.00 0.00 N ATOM 735 CA LYS A 50 -7.789 23.840 11.410 1.00 0.00 C ATOM 736 C LYS A 50 -8.691 24.239 10.246 1.00 0.00 C ATOM 737 O LYS A 50 -9.878 24.508 10.432 1.00 0.00 O ATOM 738 CB LYS A 50 -7.318 25.090 12.155 1.00 0.00 C ATOM 739 CG LYS A 50 -8.079 25.354 13.443 1.00 0.00 C ATOM 740 CD LYS A 50 -8.358 26.835 13.632 1.00 0.00 C ATOM 741 CE LYS A 50 -9.405 27.071 14.710 1.00 0.00 C ATOM 742 NZ LYS A 50 -8.810 27.659 15.942 1.00 0.00 N ATOM 0 H LYS A 50 -5.748 23.368 11.327 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.362 23.212 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.257 24.988 12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.421 25.954 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.020 24.804 13.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.503 24.980 14.290 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.435 27.349 13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.700 27.265 12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.178 27.737 14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.892 26.127 14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.556 27.805 16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.091 27.012 16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.368 28.572 15.712 1.00 0.00 H new ATOM 756 N ILE A 51 -8.121 24.273 9.046 1.00 0.00 N ATOM 757 CA ILE A 51 -8.874 24.636 7.853 1.00 0.00 C ATOM 758 C ILE A 51 -9.643 23.440 7.303 1.00 0.00 C ATOM 759 O ILE A 51 -10.833 23.538 7.002 1.00 0.00 O ATOM 760 CB ILE A 51 -7.952 25.190 6.751 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.237 26.452 7.240 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.750 25.482 5.489 1.00 0.00 C ATOM 763 CD1 ILE A 51 -6.005 26.799 6.434 1.00 0.00 C ATOM 0 H ILE A 51 -7.140 24.053 8.875 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.579 25.413 8.150 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.200 24.437 6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.932 27.291 7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.953 26.317 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.084 25.873 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.216 24.563 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.522 26.219 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.550 27.704 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.291 25.978 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.286 26.966 5.394 1.00 0.00 H new ATOM 775 N VAL A 52 -8.956 22.309 7.175 1.00 0.00 N ATOM 776 CA VAL A 52 -9.574 21.092 6.664 1.00 0.00 C ATOM 777 C VAL A 52 -10.799 20.710 7.488 1.00 0.00 C ATOM 778 O VAL A 52 -11.851 20.382 6.939 1.00 0.00 O ATOM 779 CB VAL A 52 -8.581 19.915 6.666 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.290 18.617 6.309 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.432 20.185 5.707 1.00 0.00 C ATOM 0 H VAL A 52 -7.970 22.211 7.419 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.879 21.299 5.638 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.169 19.812 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.572 17.797 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.075 18.418 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.732 18.705 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.740 19.343 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.823 20.316 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.908 21.090 6.013 1.00 0.00 H new ATOM 791 N ALA A 53 -10.656 20.757 8.808 1.00 0.00 N ATOM 792 CA ALA A 53 -11.751 20.419 9.708 1.00 0.00 C ATOM 793 C ALA A 53 -13.029 21.153 9.317 1.00 0.00 C ATOM 794 O ALA A 53 -14.130 20.619 9.455 1.00 0.00 O ATOM 795 CB ALA A 53 -11.373 20.743 11.146 1.00 0.00 C ATOM 0 H ALA A 53 -9.792 21.026 9.278 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.938 19.348 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.201 20.485 11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.491 20.169 11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.156 21.808 11.234 1.00 0.00 H new ATOM 801 N SER A 54 -12.876 22.380 8.829 1.00 0.00 N ATOM 802 CA SER A 54 -14.019 23.189 8.423 1.00 0.00 C ATOM 803 C SER A 54 -14.503 22.786 7.033 1.00 0.00 C ATOM 804 O SER A 54 -15.671 22.971 6.693 1.00 0.00 O ATOM 805 CB SER A 54 -13.650 24.674 8.436 1.00 0.00 C ATOM 806 OG SER A 54 -13.970 25.268 9.682 1.00 0.00 O ATOM 0 H SER A 54 -11.972 22.835 8.705 1.00 0.00 H new ATOM 0 HA SER A 54 -14.826 23.016 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.584 24.789 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.180 25.191 7.636 1.00 0.00 H new ATOM 0 HG SER A 54 -13.723 26.216 9.665 1.00 0.00 H new ATOM 812 N MET A 55 -13.595 22.234 6.234 1.00 0.00 N ATOM 813 CA MET A 55 -13.929 21.804 4.882 1.00 0.00 C ATOM 814 C MET A 55 -14.723 20.501 4.906 1.00 0.00 C ATOM 815 O MET A 55 -15.789 20.402 4.299 1.00 0.00 O ATOM 816 CB MET A 55 -12.656 21.623 4.052 1.00 0.00 C ATOM 817 CG MET A 55 -11.805 22.879 3.964 1.00 0.00 C ATOM 818 SD MET A 55 -10.156 22.557 3.310 1.00 0.00 S ATOM 819 CE MET A 55 -10.446 22.741 1.552 1.00 0.00 C ATOM 0 H MET A 55 -12.623 22.074 6.500 1.00 0.00 H new ATOM 0 HA MET A 55 -14.546 22.577 4.424 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.060 20.820 4.486 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.930 21.308 3.045 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.307 23.609 3.329 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.718 23.324 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.542 23.116 1.071 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.710 21.774 1.124 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.262 23.445 1.390 1.00 0.00 H new ATOM 829 N TRP A 56 -14.196 19.506 5.610 1.00 0.00 N ATOM 830 CA TRP A 56 -14.857 18.210 5.713 1.00 0.00 C ATOM 831 C TRP A 56 -16.233 18.349 6.354 1.00 0.00 C ATOM 832 O TRP A 56 -17.187 17.687 5.947 1.00 0.00 O ATOM 833 CB TRP A 56 -13.998 17.239 6.525 1.00 0.00 C ATOM 834 CG TRP A 56 -14.735 16.006 6.950 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.466 15.840 8.091 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.811 14.765 6.239 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.992 14.571 8.133 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.605 13.892 7.008 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.287 14.308 5.027 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.885 12.590 6.603 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.565 13.015 4.627 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.359 12.168 5.412 1.00 0.00 C ATOM 0 H TRP A 56 -13.314 19.571 6.118 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.985 17.815 4.705 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.131 16.949 5.932 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.621 17.752 7.410 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.610 16.595 8.849 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.576 14.196 8.881 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.676 14.954 4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.496 11.936 7.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.163 12.651 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.560 11.163 5.071 1.00 0.00 H new ATOM 853 N ASP A 57 -16.328 19.214 7.358 1.00 0.00 N ATOM 854 CA ASP A 57 -17.589 19.441 8.055 1.00 0.00 C ATOM 855 C ASP A 57 -18.647 19.986 7.100 1.00 0.00 C ATOM 856 O ASP A 57 -19.825 20.070 7.446 1.00 0.00 O ATOM 857 CB ASP A 57 -17.385 20.412 9.219 1.00 0.00 C ATOM 858 CG ASP A 57 -17.346 19.707 10.560 1.00 0.00 C ATOM 859 OD1 ASP A 57 -16.335 19.032 10.846 1.00 0.00 O ATOM 860 OD2 ASP A 57 -18.327 19.828 11.324 1.00 0.00 O ATOM 0 H ASP A 57 -15.547 19.769 7.707 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.937 18.485 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.454 20.960 9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.190 21.147 9.221 1.00 0.00 H new ATOM 865 N GLY A 58 -18.217 20.357 5.898 1.00 0.00 N ATOM 866 CA GLY A 58 -19.139 20.891 4.913 1.00 0.00 C ATOM 867 C GLY A 58 -19.042 20.175 3.580 1.00 0.00 C ATOM 868 O GLY A 58 -19.328 20.757 2.532 1.00 0.00 O ATOM 0 H GLY A 58 -17.247 20.297 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.158 20.810 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.936 21.952 4.768 1.00 0.00 H new ATOM 872 N LEU A 59 -18.635 18.911 3.617 1.00 0.00 N ATOM 873 CA LEU A 59 -18.498 18.116 2.402 1.00 0.00 C ATOM 874 C LEU A 59 -19.829 17.476 2.018 1.00 0.00 C ATOM 875 O LEU A 59 -20.714 17.309 2.855 1.00 0.00 O ATOM 876 CB LEU A 59 -17.435 17.033 2.594 1.00 0.00 C ATOM 877 CG LEU A 59 -16.266 17.058 1.610 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.200 18.040 2.071 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.675 15.665 1.447 1.00 0.00 C ATOM 0 H LEU A 59 -18.394 18.415 4.475 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.189 18.780 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -17.035 17.120 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.920 16.059 2.526 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.640 17.388 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.376 18.044 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.629 19.040 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.830 17.741 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.844 15.702 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.317 15.306 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.440 14.987 1.069 1.00 0.00 H new ATOM 891 N GLY A 60 -19.961 17.117 0.744 1.00 0.00 N ATOM 892 CA GLY A 60 -21.185 16.497 0.272 1.00 0.00 C ATOM 893 C GLY A 60 -21.362 15.086 0.799 1.00 0.00 C ATOM 894 O GLY A 60 -20.395 14.334 0.910 1.00 0.00 O ATOM 0 H GLY A 60 -19.242 17.245 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.037 17.105 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.181 16.477 -0.818 1.00 0.00 H new ATOM 898 N GLU A 61 -22.600 14.729 1.126 1.00 0.00 N ATOM 899 CA GLU A 61 -22.898 13.400 1.646 1.00 0.00 C ATOM 900 C GLU A 61 -22.341 12.318 0.727 1.00 0.00 C ATOM 901 O GLU A 61 -22.092 11.192 1.157 1.00 0.00 O ATOM 902 CB GLU A 61 -24.409 13.219 1.808 1.00 0.00 C ATOM 903 CG GLU A 61 -24.845 12.996 3.247 1.00 0.00 C ATOM 904 CD GLU A 61 -26.236 13.533 3.525 1.00 0.00 C ATOM 905 OE1 GLU A 61 -27.113 13.387 2.648 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.446 14.100 4.617 1.00 0.00 O ATOM 0 H GLU A 61 -23.412 15.341 1.040 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.421 13.304 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.916 14.101 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.732 12.371 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.820 11.929 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.133 13.478 3.917 1.00 0.00 H new ATOM 913 N GLU A 62 -22.148 12.668 -0.541 1.00 0.00 N ATOM 914 CA GLU A 62 -21.621 11.726 -1.521 1.00 0.00 C ATOM 915 C GLU A 62 -20.107 11.589 -1.386 1.00 0.00 C ATOM 916 O GLU A 62 -19.545 10.526 -1.644 1.00 0.00 O ATOM 917 CB GLU A 62 -21.979 12.177 -2.939 1.00 0.00 C ATOM 918 CG GLU A 62 -22.308 11.029 -3.879 1.00 0.00 C ATOM 919 CD GLU A 62 -23.794 10.913 -4.159 1.00 0.00 C ATOM 920 OE1 GLU A 62 -24.376 11.883 -4.688 1.00 0.00 O ATOM 921 OE2 GLU A 62 -24.374 9.851 -3.850 1.00 0.00 O ATOM 0 H GLU A 62 -22.349 13.596 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.074 10.753 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.833 12.852 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.146 12.746 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.775 11.170 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.950 10.095 -3.446 1.00 0.00 H new ATOM 928 N GLN A 63 -19.455 12.674 -0.981 1.00 0.00 N ATOM 929 CA GLN A 63 -18.007 12.676 -0.812 1.00 0.00 C ATOM 930 C GLN A 63 -17.611 12.024 0.509 1.00 0.00 C ATOM 931 O GLN A 63 -16.556 11.399 0.613 1.00 0.00 O ATOM 932 CB GLN A 63 -17.467 14.106 -0.871 1.00 0.00 C ATOM 933 CG GLN A 63 -17.661 14.775 -2.222 1.00 0.00 C ATOM 934 CD GLN A 63 -17.175 16.211 -2.237 1.00 0.00 C ATOM 935 OE1 GLN A 63 -15.994 16.481 -2.015 1.00 0.00 O ATOM 936 NE2 GLN A 63 -18.084 17.141 -2.502 1.00 0.00 N ATOM 0 H GLN A 63 -19.906 13.563 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.571 12.097 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.961 14.704 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.404 14.094 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.128 14.207 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.718 14.750 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -19.052 16.872 -2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.815 18.125 -2.528 1.00 0.00 H new ATOM 945 N LYS A 64 -18.465 12.174 1.516 1.00 0.00 N ATOM 946 CA LYS A 64 -18.206 11.599 2.830 1.00 0.00 C ATOM 947 C LYS A 64 -18.405 10.087 2.812 1.00 0.00 C ATOM 948 O LYS A 64 -17.598 9.340 3.364 1.00 0.00 O ATOM 949 CB LYS A 64 -19.126 12.233 3.876 1.00 0.00 C ATOM 950 CG LYS A 64 -18.595 13.539 4.442 1.00 0.00 C ATOM 951 CD LYS A 64 -19.414 14.004 5.635 1.00 0.00 C ATOM 952 CE LYS A 64 -18.887 15.316 6.195 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.753 15.840 7.288 1.00 0.00 N ATOM 0 H LYS A 64 -19.343 12.689 1.447 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.169 11.807 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.103 12.412 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.275 11.527 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.555 13.411 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.611 14.306 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.455 14.126 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.392 13.240 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.875 15.169 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.825 16.054 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.360 16.735 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.713 16.004 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.792 15.147 8.063 1.00 0.00 H new ATOM 967 N GLN A 65 -19.484 9.645 2.174 1.00 0.00 N ATOM 968 CA GLN A 65 -19.787 8.221 2.084 1.00 0.00 C ATOM 969 C GLN A 65 -18.690 7.477 1.329 1.00 0.00 C ATOM 970 O GLN A 65 -18.248 6.408 1.750 1.00 0.00 O ATOM 971 CB GLN A 65 -21.134 8.008 1.391 1.00 0.00 C ATOM 972 CG GLN A 65 -21.093 8.257 -0.108 1.00 0.00 C ATOM 973 CD GLN A 65 -22.454 8.117 -0.761 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.356 8.920 -0.521 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.610 7.093 -1.592 1.00 0.00 N ATOM 0 H GLN A 65 -20.162 10.251 1.712 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.840 7.822 3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.469 6.987 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.873 8.671 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.706 9.258 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.399 7.555 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.835 6.452 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.504 6.948 -2.060 1.00 0.00 H new ATOM 984 N VAL A 66 -18.255 8.050 0.212 1.00 0.00 N ATOM 985 CA VAL A 66 -17.208 7.442 -0.602 1.00 0.00 C ATOM 986 C VAL A 66 -15.900 7.337 0.174 1.00 0.00 C ATOM 987 O VAL A 66 -15.175 6.349 0.059 1.00 0.00 O ATOM 988 CB VAL A 66 -16.964 8.244 -1.893 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.658 9.699 -1.569 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.836 7.621 -2.702 1.00 0.00 C ATOM 0 H VAL A 66 -18.611 8.934 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.552 6.442 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.872 8.214 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.488 10.250 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.501 10.138 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.765 9.753 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.677 8.201 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.921 7.618 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.100 6.597 -2.966 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.605 8.362 0.965 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.382 8.387 1.760 1.00 0.00 C ATOM 1002 C TYR A 67 -14.414 7.312 2.841 1.00 0.00 C ATOM 1003 O TYR A 67 -13.371 6.840 3.296 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.192 9.764 2.399 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.429 10.736 1.527 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.229 10.369 0.929 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.906 12.021 1.302 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.528 11.253 0.133 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.213 12.911 0.506 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.024 12.523 -0.076 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.330 13.408 -0.869 1.00 0.00 O ATOM 0 H TYR A 67 -16.195 9.187 1.073 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.542 8.184 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.170 10.186 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.664 9.646 3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.838 9.375 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.835 12.329 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.597 10.952 -0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.600 13.906 0.340 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.816 14.258 -0.914 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.618 6.928 3.249 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.789 5.907 4.276 1.00 0.00 C ATOM 1023 C LYS A 68 -15.656 4.509 3.681 1.00 0.00 C ATOM 1024 O LYS A 68 -15.045 3.623 4.279 1.00 0.00 O ATOM 1025 CB LYS A 68 -17.154 6.057 4.952 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.428 7.461 5.463 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.800 7.456 6.936 1.00 0.00 C ATOM 1028 CE LYS A 68 -19.300 7.292 7.132 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.960 8.585 7.464 1.00 0.00 N ATOM 0 H LYS A 68 -16.491 7.309 2.884 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.005 6.042 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.934 5.779 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.216 5.357 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.546 8.083 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.236 7.908 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.275 6.646 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.471 8.387 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.742 6.881 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.486 6.574 7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.981 8.431 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.556 8.965 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.805 9.263 6.691 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.232 4.317 2.499 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.176 3.027 1.820 1.00 0.00 C ATOM 1045 C LYS A 69 -14.742 2.674 1.440 1.00 0.00 C ATOM 1046 O LYS A 69 -14.336 1.515 1.516 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.056 3.048 0.569 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.520 2.752 0.849 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.360 4.018 0.818 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.811 3.715 0.476 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.080 3.869 -0.981 1.00 0.00 N ATOM 0 H LYS A 69 -16.743 5.039 1.991 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.549 2.267 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.976 4.026 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.676 2.317 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.897 2.046 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.616 2.274 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -19.309 4.514 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.949 4.711 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.052 2.698 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -21.464 4.382 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.098 3.754 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.778 4.815 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.552 3.146 -1.510 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.978 3.682 1.032 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.587 3.480 0.643 1.00 0.00 C ATOM 1067 C LYS A 70 -11.748 3.029 1.835 1.00 0.00 C ATOM 1068 O LYS A 70 -10.982 2.070 1.741 1.00 0.00 O ATOM 1069 CB LYS A 70 -12.008 4.768 0.056 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.547 5.105 -1.324 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.564 5.950 -2.116 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.277 6.824 -3.137 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.651 6.725 -4.485 1.00 0.00 N ATOM 0 H LYS A 70 -14.299 4.648 0.962 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.558 2.698 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.224 5.595 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.923 4.676 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.757 4.184 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.491 5.640 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.991 6.579 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.852 5.301 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.324 6.528 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.258 7.861 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.165 7.335 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.659 7.031 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.691 5.740 -4.815 1.00 0.00 H new ATOM 1087 N THR A 71 -11.899 3.727 2.956 1.00 0.00 N ATOM 1088 CA THR A 71 -11.156 3.399 4.166 1.00 0.00 C ATOM 1089 C THR A 71 -11.082 1.890 4.374 1.00 0.00 C ATOM 1090 O THR A 71 -9.997 1.324 4.497 1.00 0.00 O ATOM 1091 CB THR A 71 -11.793 4.046 5.410 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.456 5.262 5.044 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.740 4.336 6.469 1.00 0.00 C ATOM 0 H THR A 71 -12.529 4.523 3.051 1.00 0.00 H new ATOM 0 HA THR A 71 -10.149 3.795 4.035 1.00 0.00 H new ATOM 0 HB THR A 71 -12.519 3.347 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.843 6.017 5.162 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.214 4.793 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.257 3.405 6.766 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.993 5.018 6.063 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.244 1.245 4.411 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.310 -0.198 4.605 1.00 0.00 C ATOM 1103 C GLU A 72 -11.649 -0.933 3.442 1.00 0.00 C ATOM 1104 O GLU A 72 -11.083 -2.012 3.617 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.764 -0.651 4.748 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.405 -0.236 6.061 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.078 -1.393 6.774 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -16.129 -1.858 6.286 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.554 -1.832 7.819 1.00 0.00 O ATOM 0 H GLU A 72 -13.152 1.699 4.309 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.771 -0.441 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.346 -0.240 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.808 -1.736 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.644 0.194 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.140 0.546 5.871 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.726 -0.341 2.255 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.134 -0.938 1.064 1.00 0.00 C ATOM 1118 C ALA A 73 -9.612 -0.874 1.116 1.00 0.00 C ATOM 1119 O ALA A 73 -8.926 -1.766 0.617 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.651 -0.242 -0.187 1.00 0.00 C ATOM 0 H ALA A 73 -12.192 0.551 2.092 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.426 -1.988 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.201 -0.698 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.735 -0.344 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.388 0.815 -0.150 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.089 0.187 1.722 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.647 0.366 1.840 1.00 0.00 C ATOM 1128 C ALA A 74 -7.123 -0.243 3.137 1.00 0.00 C ATOM 1129 O ALA A 74 -5.926 -0.496 3.276 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.291 1.843 1.767 1.00 0.00 C ATOM 0 H ALA A 74 -9.642 0.936 2.139 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.172 -0.153 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.211 1.962 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.623 2.251 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.783 2.377 2.580 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.026 -0.475 4.083 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.655 -1.054 5.369 1.00 0.00 C ATOM 1138 C LYS A 75 -7.502 -2.568 5.260 1.00 0.00 C ATOM 1139 O LYS A 75 -6.431 -3.115 5.526 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.706 -0.713 6.428 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.711 -1.666 7.610 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.688 -0.915 8.931 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.944 -0.079 9.119 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.698 -0.477 10.340 1.00 0.00 N ATOM 0 H LYS A 75 -9.020 -0.271 3.984 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.696 -0.629 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.529 0.300 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.692 -0.718 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.598 -2.298 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.846 -2.326 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.596 -1.625 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.811 -0.269 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.672 0.974 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.586 -0.186 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.547 0.116 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.980 -1.475 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.094 -0.350 11.177 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.578 -3.240 4.865 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.563 -4.691 4.717 1.00 0.00 C ATOM 1160 C LYS A 76 -7.357 -5.142 3.899 1.00 0.00 C ATOM 1161 O LYS A 76 -6.701 -6.127 4.237 1.00 0.00 O ATOM 1162 CB LYS A 76 -9.854 -5.169 4.049 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.170 -6.631 4.313 1.00 0.00 C ATOM 1164 CD LYS A 76 -10.855 -7.278 3.120 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.242 -7.786 3.483 1.00 0.00 C ATOM 1166 NZ LYS A 76 -12.643 -8.949 2.643 1.00 0.00 N ATOM 0 H LYS A 76 -9.472 -2.803 4.641 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.491 -5.132 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.684 -4.557 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.777 -5.011 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.249 -7.168 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.811 -6.713 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.932 -6.556 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.247 -8.106 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.260 -8.074 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.967 -6.982 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.594 -9.266 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.650 -8.668 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.965 -9.726 2.779 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.071 -4.414 2.824 1.00 0.00 N ATOM 1181 CA GLU A 77 -5.943 -4.741 1.960 1.00 0.00 C ATOM 1182 C GLU A 77 -4.621 -4.567 2.701 1.00 0.00 C ATOM 1183 O GLU A 77 -3.770 -5.457 2.693 1.00 0.00 O ATOM 1184 CB GLU A 77 -5.959 -3.860 0.709 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.152 -2.581 0.856 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.063 -1.795 -0.439 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.120 -1.538 -1.051 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -3.935 -1.439 -0.839 1.00 0.00 O ATOM 0 H GLU A 77 -7.604 -3.595 2.531 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.037 -5.785 1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.568 -4.432 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.991 -3.603 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.605 -1.956 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.146 -2.827 1.197 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.455 -3.415 3.341 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.236 -3.122 4.085 1.00 0.00 C ATOM 1197 C TYR A 78 -2.863 -4.285 4.999 1.00 0.00 C ATOM 1198 O TYR A 78 -1.688 -4.626 5.142 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.412 -1.846 4.910 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.293 -1.606 5.899 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -0.972 -1.521 5.477 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.558 -1.463 7.256 1.00 0.00 C ATOM 1203 CE1 TYR A 78 0.052 -1.302 6.377 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.540 -1.242 8.163 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.236 -1.163 7.719 1.00 0.00 C ATOM 1206 OH TYR A 78 0.782 -0.944 8.618 1.00 0.00 O ATOM 0 H TYR A 78 -5.150 -2.668 3.359 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.429 -2.974 3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.478 -0.993 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.358 -1.900 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.742 -1.628 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.577 -1.526 7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.074 -1.240 6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.763 -1.132 9.214 1.00 0.00 H new ATOM 0 HH TYR A 78 0.410 -0.868 9.521 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.872 -4.891 5.616 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.652 -6.017 6.516 1.00 0.00 C ATOM 1218 C LEU A 79 -3.159 -7.240 5.749 1.00 0.00 C ATOM 1219 O LEU A 79 -2.157 -7.854 6.115 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.942 -6.356 7.265 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.630 -5.192 7.979 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -7.020 -5.597 8.444 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.790 -4.716 9.155 1.00 0.00 C ATOM 0 H LEU A 79 -4.850 -4.621 5.509 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.886 -5.730 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.647 -6.789 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.718 -7.127 8.002 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.731 -4.367 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.494 -4.756 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.621 -5.888 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.942 -6.438 9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.295 -3.887 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.656 -5.535 9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.816 -4.384 8.796 1.00 0.00 H new