USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 690 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 47 LYS NZ :NH3+ 159:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.915 USER MOD Set 2.1: A 30 MET CE :methyl -107:sc= -0.434 (180deg=-3.36!) USER MOD Set 2.2: A 74 CYS SG : rot -174:sc= -0.815 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 2:sc= 1.04 USER MOD Single : A 39 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 45 MET CE :methyl -157:sc= -0.0641 (180deg=-0.571) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 2.45 (180deg=2.39) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0.00827 (180deg=0.00827) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0.312 (180deg=-0.195!) USER MOD Single : A 68 MET CE :methyl -126:sc= 0 (180deg=-0.575) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 2.4 (180deg=1.9) USER MOD Single : A 78 MET CE :methyl -130:sc= -0.12 (180deg=-0.396) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.302) USER MOD Single : A 98 SER OG : rot 180:sc= 0.707 USER MOD Single : A 109 THR OG1 : rot 180:sc=-0.00648 USER MOD Single : A 110 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -5.118 -29.735 -3.518 1.00 0.00 N ATOM 347 CA ALA A 22 -4.781 -29.499 -4.915 1.00 0.00 C ATOM 348 C ALA A 22 -3.269 -29.304 -5.057 1.00 0.00 C ATOM 349 O ALA A 22 -2.598 -28.863 -4.122 1.00 0.00 O ATOM 350 CB ALA A 22 -5.553 -28.261 -5.384 1.00 0.00 C ATOM 0 HA ALA A 22 -5.059 -30.352 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.319 -28.061 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.623 -28.438 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.267 -27.402 -4.777 1.00 0.00 H new ATOM 356 N GLU A 23 -2.729 -29.587 -6.245 1.00 0.00 N ATOM 357 CA GLU A 23 -1.281 -29.654 -6.473 1.00 0.00 C ATOM 358 C GLU A 23 -0.849 -29.012 -7.803 1.00 0.00 C ATOM 359 O GLU A 23 0.346 -28.958 -8.097 1.00 0.00 O ATOM 360 CB GLU A 23 -0.818 -31.120 -6.360 1.00 0.00 C ATOM 361 CG GLU A 23 -1.394 -32.041 -7.449 1.00 0.00 C ATOM 362 CD GLU A 23 -0.889 -33.485 -7.285 1.00 0.00 C ATOM 363 OE1 GLU A 23 0.162 -33.840 -7.867 1.00 0.00 O ATOM 364 OE2 GLU A 23 -1.546 -34.293 -6.589 1.00 0.00 O ATOM 0 H GLU A 23 -3.284 -29.777 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.789 -29.062 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.270 -31.152 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.104 -31.507 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.483 -32.027 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.113 -31.665 -8.433 1.00 0.00 H new ATOM 371 N ASP A 24 -1.795 -28.501 -8.597 1.00 0.00 N ATOM 372 CA ASP A 24 -1.544 -27.854 -9.886 1.00 0.00 C ATOM 373 C ASP A 24 -2.350 -26.562 -9.936 1.00 0.00 C ATOM 374 O ASP A 24 -3.423 -26.494 -9.337 1.00 0.00 O ATOM 375 CB ASP A 24 -1.976 -28.780 -11.030 1.00 0.00 C ATOM 376 CG ASP A 24 -1.829 -28.081 -12.390 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.732 -28.155 -12.989 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.802 -27.439 -12.841 1.00 0.00 O ATOM 0 H ASP A 24 -2.785 -28.528 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.481 -27.640 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.372 -29.687 -11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.012 -29.085 -10.884 1.00 0.00 H new ATOM 383 N LYS A 25 -1.852 -25.542 -10.639 1.00 0.00 N ATOM 384 CA LYS A 25 -2.482 -24.226 -10.701 1.00 0.00 C ATOM 385 C LYS A 25 -3.967 -24.264 -11.070 1.00 0.00 C ATOM 386 O LYS A 25 -4.726 -23.476 -10.512 1.00 0.00 O ATOM 387 CB LYS A 25 -1.696 -23.290 -11.637 1.00 0.00 C ATOM 388 CG LYS A 25 -1.469 -23.853 -13.054 1.00 0.00 C ATOM 389 CD LYS A 25 -0.979 -22.792 -14.047 1.00 0.00 C ATOM 390 CE LYS A 25 -2.107 -21.807 -14.390 1.00 0.00 C ATOM 391 NZ LYS A 25 -1.702 -20.834 -15.437 1.00 0.00 N ATOM 0 H LYS A 25 -0.993 -25.609 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.447 -23.826 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.230 -22.343 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.728 -23.073 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.740 -24.662 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.400 -24.285 -13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.134 -22.251 -13.621 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.622 -23.275 -14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.981 -22.362 -14.731 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.403 -21.268 -13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.493 -20.189 -15.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.884 -20.285 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.445 -21.345 -16.305 1.00 0.00 H new ATOM 405 N GLU A 26 -4.409 -25.153 -11.963 1.00 0.00 N ATOM 406 CA GLU A 26 -5.818 -25.215 -12.343 1.00 0.00 C ATOM 407 C GLU A 26 -6.641 -25.729 -11.159 1.00 0.00 C ATOM 408 O GLU A 26 -7.676 -25.159 -10.815 1.00 0.00 O ATOM 409 CB GLU A 26 -6.002 -26.119 -13.572 1.00 0.00 C ATOM 410 CG GLU A 26 -5.473 -25.462 -14.855 1.00 0.00 C ATOM 411 CD GLU A 26 -5.644 -26.379 -16.080 1.00 0.00 C ATOM 412 OE1 GLU A 26 -6.764 -26.466 -16.634 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.654 -27.002 -16.528 1.00 0.00 O ATOM 0 H GLU A 26 -3.814 -25.835 -12.433 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.166 -24.217 -12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.483 -27.063 -13.408 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.059 -26.353 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.001 -24.524 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.419 -25.216 -14.729 1.00 0.00 H new ATOM 420 N GLU A 27 -6.153 -26.772 -10.487 1.00 0.00 N ATOM 421 CA GLU A 27 -6.814 -27.373 -9.334 1.00 0.00 C ATOM 422 C GLU A 27 -6.814 -26.390 -8.156 1.00 0.00 C ATOM 423 O GLU A 27 -7.783 -26.307 -7.403 1.00 0.00 O ATOM 424 CB GLU A 27 -6.107 -28.687 -8.961 1.00 0.00 C ATOM 425 CG GLU A 27 -6.083 -29.722 -10.097 1.00 0.00 C ATOM 426 CD GLU A 27 -7.493 -30.200 -10.492 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.114 -30.974 -9.728 1.00 0.00 O ATOM 428 OE2 GLU A 27 -7.985 -29.834 -11.583 1.00 0.00 O ATOM 0 H GLU A 27 -5.275 -27.228 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.851 -27.598 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.082 -28.465 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.604 -29.123 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.593 -29.288 -10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.485 -30.580 -9.789 1.00 0.00 H new ATOM 435 N ARG A 28 -5.746 -25.606 -7.997 1.00 0.00 N ATOM 436 CA ARG A 28 -5.654 -24.612 -6.933 1.00 0.00 C ATOM 437 C ARG A 28 -6.548 -23.411 -7.224 1.00 0.00 C ATOM 438 O ARG A 28 -7.123 -22.866 -6.280 1.00 0.00 O ATOM 439 CB ARG A 28 -4.182 -24.236 -6.688 1.00 0.00 C ATOM 440 CG ARG A 28 -3.450 -25.445 -6.081 1.00 0.00 C ATOM 441 CD ARG A 28 -2.039 -25.155 -5.570 1.00 0.00 C ATOM 442 NE ARG A 28 -1.654 -26.191 -4.595 1.00 0.00 N ATOM 443 CZ ARG A 28 -0.935 -26.016 -3.485 1.00 0.00 C ATOM 444 NH1 ARG A 28 -0.201 -24.925 -3.300 1.00 0.00 N ATOM 445 NH2 ARG A 28 -0.977 -26.954 -2.553 1.00 0.00 N ATOM 0 H ARG A 28 -4.925 -25.644 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.029 -25.040 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.708 -23.940 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.119 -23.381 -6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.046 -25.835 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.393 -26.232 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.334 -25.141 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.003 -24.170 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.970 -27.141 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.179 -24.198 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.340 -24.814 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.550 -27.786 -2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.437 -26.845 -1.695 1.00 0.00 H new ATOM 459 N ALA A 29 -6.751 -23.047 -8.494 1.00 0.00 N ATOM 460 CA ALA A 29 -7.756 -22.059 -8.858 1.00 0.00 C ATOM 461 C ALA A 29 -9.145 -22.582 -8.474 1.00 0.00 C ATOM 462 O ALA A 29 -9.936 -21.826 -7.913 1.00 0.00 O ATOM 463 CB ALA A 29 -7.682 -21.711 -10.349 1.00 0.00 C ATOM 0 H ALA A 29 -6.229 -23.426 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.562 -21.137 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.446 -20.971 -10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.697 -21.304 -10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.850 -22.610 -10.941 1.00 0.00 H new ATOM 469 N MET A 30 -9.433 -23.873 -8.697 1.00 0.00 N ATOM 470 CA MET A 30 -10.685 -24.473 -8.235 1.00 0.00 C ATOM 471 C MET A 30 -10.803 -24.396 -6.709 1.00 0.00 C ATOM 472 O MET A 30 -11.878 -24.066 -6.221 1.00 0.00 O ATOM 473 CB MET A 30 -10.861 -25.924 -8.709 1.00 0.00 C ATOM 474 CG MET A 30 -10.931 -26.119 -10.227 1.00 0.00 C ATOM 475 SD MET A 30 -12.422 -25.502 -11.061 1.00 0.00 S ATOM 476 CE MET A 30 -11.993 -23.761 -11.313 1.00 0.00 C ATOM 0 H MET A 30 -8.816 -24.516 -9.193 1.00 0.00 H new ATOM 0 HA MET A 30 -11.488 -23.888 -8.684 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.032 -26.517 -8.322 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.773 -26.324 -8.267 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.065 -25.630 -10.673 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.840 -27.185 -10.438 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.567 -23.141 -10.624 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.928 -23.618 -11.128 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.225 -23.474 -12.339 1.00 0.00 H new ATOM 486 N GLY A 31 -9.730 -24.642 -5.950 1.00 0.00 N ATOM 487 CA GLY A 31 -9.752 -24.545 -4.489 1.00 0.00 C ATOM 488 C GLY A 31 -10.192 -23.154 -4.019 1.00 0.00 C ATOM 489 O GLY A 31 -11.159 -23.023 -3.257 1.00 0.00 O ATOM 0 H GLY A 31 -8.824 -24.913 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.430 -25.297 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.760 -24.765 -4.095 1.00 0.00 H new ATOM 493 N TRP A 32 -9.523 -22.114 -4.534 1.00 0.00 N ATOM 494 CA TRP A 32 -9.898 -20.727 -4.303 1.00 0.00 C ATOM 495 C TRP A 32 -11.362 -20.489 -4.678 1.00 0.00 C ATOM 496 O TRP A 32 -12.119 -19.968 -3.859 1.00 0.00 O ATOM 497 CB TRP A 32 -8.976 -19.791 -5.095 1.00 0.00 C ATOM 498 CG TRP A 32 -7.713 -19.413 -4.392 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.509 -20.015 -4.507 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.521 -18.321 -3.447 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.587 -19.366 -3.711 1.00 0.00 N ATOM 502 CE2 TRP A 32 -6.158 -18.313 -3.030 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.368 -17.335 -2.900 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.664 -17.371 -2.119 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.882 -16.387 -1.982 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.533 -16.398 -1.597 1.00 0.00 C ATOM 0 H TRP A 32 -8.700 -22.221 -5.127 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.785 -20.511 -3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.720 -20.270 -6.040 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.526 -18.882 -5.338 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.300 -20.874 -5.128 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.605 -19.633 -3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.408 -17.307 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.626 -17.392 -1.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.551 -15.646 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.163 -15.660 -0.901 1.00 0.00 H new ATOM 517 N TYR A 33 -11.767 -20.898 -5.883 1.00 0.00 N ATOM 518 CA TYR A 33 -13.126 -20.715 -6.366 1.00 0.00 C ATOM 519 C TYR A 33 -14.140 -21.357 -5.420 1.00 0.00 C ATOM 520 O TYR A 33 -15.141 -20.718 -5.105 1.00 0.00 O ATOM 521 CB TYR A 33 -13.266 -21.294 -7.780 1.00 0.00 C ATOM 522 CG TYR A 33 -14.688 -21.288 -8.309 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.572 -22.334 -7.980 1.00 0.00 C ATOM 524 CD2 TYR A 33 -15.135 -20.228 -9.114 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.907 -22.301 -8.417 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.430 -20.249 -9.653 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.337 -21.268 -9.283 1.00 0.00 C ATOM 528 OH TYR A 33 -18.614 -21.242 -9.761 1.00 0.00 O ATOM 0 H TYR A 33 -11.154 -21.367 -6.550 1.00 0.00 H new ATOM 0 HA TYR A 33 -13.334 -19.646 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.633 -20.723 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.893 -22.318 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -15.222 -23.167 -7.388 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.480 -19.394 -9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.602 -23.061 -8.093 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.735 -19.485 -10.352 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.731 -20.460 -10.340 1.00 0.00 H new ATOM 538 N TYR A 34 -13.908 -22.594 -4.966 1.00 0.00 N ATOM 539 CA TYR A 34 -14.892 -23.334 -4.191 1.00 0.00 C ATOM 540 C TYR A 34 -15.203 -22.587 -2.900 1.00 0.00 C ATOM 541 O TYR A 34 -16.380 -22.354 -2.615 1.00 0.00 O ATOM 542 CB TYR A 34 -14.420 -24.765 -3.875 1.00 0.00 C ATOM 543 CG TYR A 34 -14.301 -25.737 -5.041 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.286 -25.793 -6.050 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.223 -26.645 -5.079 1.00 0.00 C ATOM 546 CE1 TYR A 34 -15.174 -26.717 -7.104 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.108 -27.579 -6.124 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.083 -27.615 -7.147 1.00 0.00 C ATOM 549 OH TYR A 34 -13.991 -28.513 -8.169 1.00 0.00 O ATOM 0 H TYR A 34 -13.038 -23.101 -5.127 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.796 -23.415 -4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.446 -24.699 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -15.109 -25.194 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.131 -25.122 -6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.478 -26.623 -4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.923 -26.741 -7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.276 -28.268 -6.145 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.184 -29.057 -8.055 1.00 0.00 H new ATOM 559 N TYR A 35 -14.181 -22.191 -2.126 1.00 0.00 N ATOM 560 CA TYR A 35 -14.474 -21.524 -0.863 1.00 0.00 C ATOM 561 C TYR A 35 -14.983 -20.096 -1.108 1.00 0.00 C ATOM 562 O TYR A 35 -15.859 -19.648 -0.369 1.00 0.00 O ATOM 563 CB TYR A 35 -13.298 -21.592 0.123 1.00 0.00 C ATOM 564 CG TYR A 35 -12.442 -20.347 0.164 1.00 0.00 C ATOM 565 CD1 TYR A 35 -11.385 -20.200 -0.746 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.751 -19.311 1.066 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.631 -19.018 -0.761 1.00 0.00 C ATOM 568 CE2 TYR A 35 -12.008 -18.120 1.053 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.944 -17.967 0.134 1.00 0.00 C ATOM 570 OH TYR A 35 -10.232 -16.808 0.104 1.00 0.00 O ATOM 0 H TYR A 35 -13.192 -22.316 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.282 -22.069 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.689 -21.782 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.668 -22.442 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -11.152 -20.998 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.561 -19.433 1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.811 -18.909 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.248 -17.324 1.742 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.567 -16.851 -0.615 1.00 0.00 H new ATOM 580 N LEU A 36 -14.491 -19.385 -2.135 1.00 0.00 N ATOM 581 CA LEU A 36 -14.958 -18.034 -2.437 1.00 0.00 C ATOM 582 C LEU A 36 -16.435 -18.074 -2.806 1.00 0.00 C ATOM 583 O LEU A 36 -17.221 -17.364 -2.189 1.00 0.00 O ATOM 584 CB LEU A 36 -14.151 -17.384 -3.579 1.00 0.00 C ATOM 585 CG LEU A 36 -12.881 -16.659 -3.099 1.00 0.00 C ATOM 586 CD1 LEU A 36 -11.972 -16.342 -4.291 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.217 -15.338 -2.388 1.00 0.00 C ATOM 0 H LEU A 36 -13.769 -19.729 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.812 -17.425 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.870 -18.153 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.789 -16.673 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.377 -17.324 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.077 -15.829 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.687 -17.269 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.504 -15.702 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.295 -14.855 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.749 -14.680 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.845 -15.541 -1.521 1.00 0.00 H new ATOM 599 N ASP A 37 -16.839 -18.916 -3.756 1.00 0.00 N ATOM 600 CA ASP A 37 -18.228 -19.009 -4.201 1.00 0.00 C ATOM 601 C ASP A 37 -19.157 -19.379 -3.043 1.00 0.00 C ATOM 602 O ASP A 37 -20.266 -18.855 -2.943 1.00 0.00 O ATOM 603 CB ASP A 37 -18.357 -20.033 -5.332 1.00 0.00 C ATOM 604 CG ASP A 37 -19.822 -20.175 -5.773 1.00 0.00 C ATOM 605 OD1 ASP A 37 -20.338 -19.269 -6.463 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.454 -21.208 -5.454 1.00 0.00 O ATOM 0 H ASP A 37 -16.209 -19.555 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.527 -18.030 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.745 -19.725 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.977 -20.999 -5.000 1.00 0.00 H new ATOM 611 N ASP A 38 -18.679 -20.235 -2.135 1.00 0.00 N ATOM 612 CA ASP A 38 -19.405 -20.610 -0.919 1.00 0.00 C ATOM 613 C ASP A 38 -19.508 -19.463 0.104 1.00 0.00 C ATOM 614 O ASP A 38 -20.458 -19.428 0.888 1.00 0.00 O ATOM 615 CB ASP A 38 -18.732 -21.824 -0.267 1.00 0.00 C ATOM 616 CG ASP A 38 -19.481 -22.276 0.998 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.607 -22.811 0.880 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.931 -22.147 2.115 1.00 0.00 O ATOM 0 H ASP A 38 -17.771 -20.690 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.423 -20.855 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.694 -22.647 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.702 -21.576 -0.011 1.00 0.00 H new ATOM 623 N THR A 39 -18.567 -18.514 0.099 1.00 0.00 N ATOM 624 CA THR A 39 -18.468 -17.458 1.108 1.00 0.00 C ATOM 625 C THR A 39 -19.091 -16.139 0.635 1.00 0.00 C ATOM 626 O THR A 39 -19.669 -15.420 1.446 1.00 0.00 O ATOM 627 CB THR A 39 -16.986 -17.254 1.479 1.00 0.00 C ATOM 628 OG1 THR A 39 -16.432 -18.461 1.960 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.788 -16.161 2.536 1.00 0.00 C ATOM 0 H THR A 39 -17.843 -18.458 -0.617 1.00 0.00 H new ATOM 0 HA THR A 39 -19.033 -17.772 1.985 1.00 0.00 H new ATOM 0 HB THR A 39 -16.478 -16.938 0.568 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.967 -18.921 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.726 -16.059 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.171 -15.214 2.156 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.326 -16.432 3.445 1.00 0.00 H new ATOM 637 N LEU A 40 -19.003 -15.818 -0.661 1.00 0.00 N ATOM 638 CA LEU A 40 -19.349 -14.510 -1.233 1.00 0.00 C ATOM 639 C LEU A 40 -20.844 -14.129 -1.175 1.00 0.00 C ATOM 640 O LEU A 40 -21.226 -13.082 -1.694 1.00 0.00 O ATOM 641 CB LEU A 40 -18.803 -14.429 -2.676 1.00 0.00 C ATOM 642 CG LEU A 40 -17.274 -14.241 -2.794 1.00 0.00 C ATOM 643 CD1 LEU A 40 -16.826 -14.424 -4.248 1.00 0.00 C ATOM 644 CD2 LEU A 40 -16.801 -12.874 -2.312 1.00 0.00 C ATOM 0 H LEU A 40 -18.679 -16.482 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.872 -13.766 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.082 -15.341 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.295 -13.601 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.827 -14.999 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.747 -14.289 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.088 -15.427 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.324 -13.687 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.719 -12.804 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.276 -12.094 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.069 -12.745 -1.263 1.00 0.00 H new ATOM 656 N GLU A 41 -21.659 -14.982 -0.549 1.00 0.00 N ATOM 657 CA GLU A 41 -23.116 -14.957 -0.355 1.00 0.00 C ATOM 658 C GLU A 41 -23.867 -14.043 -1.339 1.00 0.00 C ATOM 659 O GLU A 41 -24.528 -13.072 -0.962 1.00 0.00 O ATOM 660 CB GLU A 41 -23.496 -14.761 1.126 1.00 0.00 C ATOM 661 CG GLU A 41 -22.891 -13.532 1.815 1.00 0.00 C ATOM 662 CD GLU A 41 -23.518 -13.311 3.204 1.00 0.00 C ATOM 663 OE1 GLU A 41 -23.188 -14.050 4.160 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.365 -12.400 3.354 1.00 0.00 O ATOM 0 H GLU A 41 -21.264 -15.813 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.478 -15.950 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.582 -14.696 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -23.193 -15.650 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.813 -13.661 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.050 -12.649 1.196 1.00 0.00 H new ATOM 671 N PHE A 42 -23.718 -14.367 -2.625 1.00 0.00 N ATOM 672 CA PHE A 42 -24.245 -13.591 -3.744 1.00 0.00 C ATOM 673 C PHE A 42 -25.768 -13.366 -3.665 1.00 0.00 C ATOM 674 O PHE A 42 -26.479 -14.205 -3.099 1.00 0.00 O ATOM 675 CB PHE A 42 -23.916 -14.320 -5.051 1.00 0.00 C ATOM 676 CG PHE A 42 -22.441 -14.402 -5.370 1.00 0.00 C ATOM 677 CD1 PHE A 42 -21.765 -13.263 -5.847 1.00 0.00 C ATOM 678 CD2 PHE A 42 -21.755 -15.625 -5.245 1.00 0.00 C ATOM 679 CE1 PHE A 42 -20.414 -13.356 -6.220 1.00 0.00 C ATOM 680 CE2 PHE A 42 -20.405 -15.711 -5.619 1.00 0.00 C ATOM 681 CZ PHE A 42 -19.736 -14.578 -6.107 1.00 0.00 C ATOM 0 H PHE A 42 -23.212 -15.201 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.775 -12.609 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -24.320 -15.331 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -24.425 -13.815 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -22.284 -12.319 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -22.267 -16.496 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -19.897 -12.485 -6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.880 -16.651 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.698 -14.647 -6.396 1.00 0.00 H new ATOM 691 N PRO A 43 -26.299 -12.314 -4.320 1.00 0.00 N ATOM 692 CA PRO A 43 -25.553 -11.223 -4.946 1.00 0.00 C ATOM 693 C PRO A 43 -25.003 -10.251 -3.890 1.00 0.00 C ATOM 694 O PRO A 43 -25.474 -10.217 -2.750 1.00 0.00 O ATOM 695 CB PRO A 43 -26.563 -10.531 -5.867 1.00 0.00 C ATOM 696 CG PRO A 43 -27.891 -10.730 -5.139 1.00 0.00 C ATOM 697 CD PRO A 43 -27.731 -12.105 -4.488 1.00 0.00 C ATOM 0 HA PRO A 43 -24.684 -11.585 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.330 -9.474 -5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.577 -10.980 -6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.064 -9.951 -4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.735 -10.707 -5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.245 -12.142 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -28.167 -12.884 -5.113 1.00 0.00 H new ATOM 705 N PHE A 44 -24.030 -9.432 -4.289 1.00 0.00 N ATOM 706 CA PHE A 44 -23.533 -8.303 -3.500 1.00 0.00 C ATOM 707 C PHE A 44 -23.193 -7.157 -4.458 1.00 0.00 C ATOM 708 O PHE A 44 -23.523 -7.247 -5.640 1.00 0.00 O ATOM 709 CB PHE A 44 -22.366 -8.728 -2.589 1.00 0.00 C ATOM 710 CG PHE A 44 -21.023 -9.024 -3.238 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.739 -10.301 -3.763 1.00 0.00 C ATOM 712 CD2 PHE A 44 -20.012 -8.042 -3.230 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.458 -10.583 -4.272 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.747 -8.313 -3.778 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.468 -9.587 -4.299 1.00 0.00 C ATOM 0 H PHE A 44 -23.556 -9.536 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.300 -7.945 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -22.214 -7.939 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.676 -9.619 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.505 -11.063 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.212 -7.072 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.234 -11.572 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.990 -7.543 -3.799 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.496 -9.800 -4.719 1.00 0.00 H new ATOM 725 N MET A 45 -22.562 -6.074 -3.995 1.00 0.00 N ATOM 726 CA MET A 45 -22.172 -4.975 -4.871 1.00 0.00 C ATOM 727 C MET A 45 -20.762 -4.470 -4.586 1.00 0.00 C ATOM 728 O MET A 45 -20.171 -4.749 -3.541 1.00 0.00 O ATOM 729 CB MET A 45 -23.216 -3.847 -4.814 1.00 0.00 C ATOM 730 CG MET A 45 -23.144 -2.956 -3.562 1.00 0.00 C ATOM 731 SD MET A 45 -23.644 -1.233 -3.836 1.00 0.00 S ATOM 732 CE MET A 45 -22.273 -0.649 -4.882 1.00 0.00 C ATOM 0 H MET A 45 -22.312 -5.939 -3.016 1.00 0.00 H new ATOM 0 HA MET A 45 -22.146 -5.360 -5.891 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.097 -3.218 -5.696 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.210 -4.290 -4.870 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.779 -3.387 -2.788 1.00 0.00 H new ATOM 0 HG3 MET A 45 -22.123 -2.969 -3.181 1.00 0.00 H new ATOM 0 HE1 MET A 45 -22.194 0.436 -4.807 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.341 -1.105 -4.548 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.462 -0.928 -5.919 1.00 0.00 H new ATOM 742 N GLY A 46 -20.240 -3.681 -5.515 1.00 0.00 N ATOM 743 CA GLY A 46 -18.918 -3.113 -5.410 1.00 0.00 C ATOM 744 C GLY A 46 -18.723 -1.984 -6.399 1.00 0.00 C ATOM 745 O GLY A 46 -19.624 -1.611 -7.154 1.00 0.00 O ATOM 0 H GLY A 46 -20.733 -3.419 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.758 -2.743 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.172 -3.888 -5.588 1.00 0.00 H new ATOM 749 N LYS A 47 -17.509 -1.455 -6.389 1.00 0.00 N ATOM 750 CA LYS A 47 -17.024 -0.515 -7.381 1.00 0.00 C ATOM 751 C LYS A 47 -15.936 -1.235 -8.162 1.00 0.00 C ATOM 752 O LYS A 47 -14.968 -1.708 -7.569 1.00 0.00 O ATOM 753 CB LYS A 47 -16.503 0.747 -6.673 1.00 0.00 C ATOM 754 CG LYS A 47 -16.351 1.938 -7.629 1.00 0.00 C ATOM 755 CD LYS A 47 -17.688 2.640 -7.920 1.00 0.00 C ATOM 756 CE LYS A 47 -18.195 3.477 -6.735 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.359 4.319 -7.112 1.00 0.00 N ATOM 0 H LYS A 47 -16.818 -1.675 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.806 -0.188 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.187 1.016 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.539 0.530 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.654 2.657 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.915 1.593 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.572 3.285 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.437 1.891 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.476 2.815 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.390 4.113 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.887 4.585 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.025 5.178 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.982 3.784 -7.751 1.00 0.00 H new ATOM 771 N TRP A 48 -16.097 -1.345 -9.475 1.00 0.00 N ATOM 772 CA TRP A 48 -15.049 -1.809 -10.366 1.00 0.00 C ATOM 773 C TRP A 48 -14.098 -0.627 -10.523 1.00 0.00 C ATOM 774 O TRP A 48 -14.452 0.390 -11.125 1.00 0.00 O ATOM 775 CB TRP A 48 -15.655 -2.280 -11.698 1.00 0.00 C ATOM 776 CG TRP A 48 -14.743 -2.980 -12.668 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.396 -3.076 -12.589 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.106 -3.709 -13.883 1.00 0.00 C ATOM 779 NE1 TRP A 48 -12.910 -3.819 -13.638 1.00 0.00 N ATOM 780 CE2 TRP A 48 -13.920 -4.258 -14.458 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.318 -3.961 -14.563 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -13.936 -5.036 -15.623 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.348 -4.743 -15.734 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.160 -5.286 -16.258 1.00 0.00 C ATOM 0 H TRP A 48 -16.968 -1.112 -9.952 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.510 -2.672 -9.976 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.484 -2.951 -11.472 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.077 -1.410 -12.201 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.790 -2.632 -11.813 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.921 -4.020 -13.789 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.238 -3.547 -14.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.018 -5.437 -16.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.288 -4.927 -16.233 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.192 -5.895 -17.149 1.00 0.00 H new ATOM 795 N LYS A 49 -12.914 -0.741 -9.923 1.00 0.00 N ATOM 796 CA LYS A 49 -11.859 0.273 -9.916 1.00 0.00 C ATOM 797 C LYS A 49 -11.042 0.133 -11.210 1.00 0.00 C ATOM 798 O LYS A 49 -9.836 -0.119 -11.160 1.00 0.00 O ATOM 799 CB LYS A 49 -10.987 0.085 -8.651 1.00 0.00 C ATOM 800 CG LYS A 49 -11.755 -0.074 -7.325 1.00 0.00 C ATOM 801 CD LYS A 49 -12.521 1.164 -6.842 1.00 0.00 C ATOM 802 CE LYS A 49 -11.565 2.200 -6.235 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.255 3.097 -5.280 1.00 0.00 N ATOM 0 H LYS A 49 -12.652 -1.580 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.275 1.280 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.359 -0.795 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.320 0.942 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.463 -0.896 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.046 -0.364 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.063 1.609 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.263 0.870 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.749 1.687 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.119 2.794 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.549 3.630 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.861 3.761 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.840 2.531 -4.633 1.00 0.00 H new ATOM 817 N LYS A 50 -11.730 0.162 -12.355 1.00 0.00 N ATOM 818 CA LYS A 50 -11.185 -0.160 -13.676 1.00 0.00 C ATOM 819 C LYS A 50 -10.038 0.787 -14.017 1.00 0.00 C ATOM 820 O LYS A 50 -9.996 1.907 -13.523 1.00 0.00 O ATOM 821 CB LYS A 50 -12.336 -0.094 -14.698 1.00 0.00 C ATOM 822 CG LYS A 50 -11.922 -0.542 -16.110 1.00 0.00 C ATOM 823 CD LYS A 50 -13.097 -0.636 -17.095 1.00 0.00 C ATOM 824 CE LYS A 50 -14.043 -1.794 -16.744 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.086 -2.011 -17.777 1.00 0.00 N ATOM 0 H LYS A 50 -12.716 0.419 -12.388 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.766 -1.166 -13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.157 -0.722 -14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.713 0.928 -14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.185 0.158 -16.503 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.435 -1.515 -16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.652 0.302 -17.089 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.714 -0.773 -18.106 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.462 -2.708 -16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.522 -1.590 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.697 -2.803 -17.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.660 -1.149 -17.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.633 -2.233 -18.686 1.00 0.00 H new ATOM 976 N GLU A 59 -10.874 4.511 -13.159 1.00 0.00 N ATOM 977 CA GLU A 59 -12.266 4.849 -13.365 1.00 0.00 C ATOM 978 C GLU A 59 -13.037 3.965 -12.383 1.00 0.00 C ATOM 979 O GLU A 59 -12.579 2.884 -11.999 1.00 0.00 O ATOM 980 CB GLU A 59 -12.680 4.566 -14.820 1.00 0.00 C ATOM 981 CG GLU A 59 -12.213 5.643 -15.815 1.00 0.00 C ATOM 982 CD GLU A 59 -12.887 7.023 -15.653 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.824 7.192 -14.839 1.00 0.00 O ATOM 984 OE2 GLU A 59 -12.480 7.957 -16.381 1.00 0.00 O ATOM 0 HA GLU A 59 -12.467 5.907 -13.194 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.272 3.602 -15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.766 4.483 -14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.135 5.768 -15.711 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.396 5.284 -16.828 1.00 0.00 H new ATOM 991 N GLU A 60 -14.215 4.416 -11.966 1.00 0.00 N ATOM 992 CA GLU A 60 -14.952 3.805 -10.872 1.00 0.00 C ATOM 993 C GLU A 60 -16.381 3.556 -11.349 1.00 0.00 C ATOM 994 O GLU A 60 -17.170 4.495 -11.481 1.00 0.00 O ATOM 995 CB GLU A 60 -14.877 4.733 -9.646 1.00 0.00 C ATOM 996 CG GLU A 60 -13.448 4.881 -9.101 1.00 0.00 C ATOM 997 CD GLU A 60 -13.449 5.636 -7.764 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.642 4.987 -6.711 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.245 6.872 -7.752 1.00 0.00 O ATOM 0 H GLU A 60 -14.686 5.220 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.528 2.846 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.262 5.716 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.523 4.342 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.001 3.896 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.832 5.415 -9.824 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.708 2.292 -11.636 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.020 1.891 -12.150 1.00 0.00 C ATOM 1008 C LYS A 61 -18.733 1.102 -11.062 1.00 0.00 C ATOM 1009 O LYS A 61 -18.209 0.090 -10.604 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.827 1.072 -13.438 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.152 0.542 -14.007 1.00 0.00 C ATOM 1012 CD LYS A 61 -18.962 -0.170 -15.359 1.00 0.00 C ATOM 1013 CE LYS A 61 -18.876 0.792 -16.557 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.128 1.563 -16.769 1.00 0.00 N ATOM 0 H LYS A 61 -16.062 1.511 -11.517 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.634 2.755 -12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.336 1.692 -14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.162 0.233 -13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.601 -0.150 -13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.850 1.370 -14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.052 -0.769 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.791 -0.859 -15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.050 1.486 -16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.649 0.223 -17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.940 2.361 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.850 0.944 -17.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.472 1.924 -15.856 1.00 0.00 H new ATOM 1028 N THR A 62 -19.893 1.561 -10.610 1.00 0.00 N ATOM 1029 CA THR A 62 -20.683 0.844 -9.619 1.00 0.00 C ATOM 1030 C THR A 62 -21.257 -0.419 -10.273 1.00 0.00 C ATOM 1031 O THR A 62 -21.817 -0.345 -11.370 1.00 0.00 O ATOM 1032 CB THR A 62 -21.776 1.784 -9.085 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.238 3.083 -8.882 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.312 1.309 -7.738 1.00 0.00 C ATOM 0 H THR A 62 -20.311 2.438 -10.919 1.00 0.00 H new ATOM 0 HA THR A 62 -20.076 0.530 -8.770 1.00 0.00 H new ATOM 0 HB THR A 62 -22.579 1.793 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.939 3.678 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.083 1.997 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.738 0.312 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.499 1.279 -7.013 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.130 -1.571 -9.613 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.529 -2.855 -10.173 1.00 0.00 C ATOM 1044 C VAL A 63 -22.193 -3.731 -9.111 1.00 0.00 C ATOM 1045 O VAL A 63 -21.823 -3.695 -7.937 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.319 -3.572 -10.818 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -19.798 -2.849 -12.069 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.131 -3.787 -9.862 1.00 0.00 C ATOM 0 H VAL A 63 -20.745 -1.636 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.264 -2.672 -10.957 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.722 -4.547 -11.092 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.949 -3.397 -12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.591 -2.796 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.484 -1.840 -11.802 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.325 -4.295 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.776 -2.822 -9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.450 -4.396 -9.016 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.176 -4.527 -9.531 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.760 -5.582 -8.714 1.00 0.00 C ATOM 1060 C GLU A 64 -23.043 -6.857 -9.149 1.00 0.00 C ATOM 1061 O GLU A 64 -22.903 -7.097 -10.346 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.275 -5.667 -8.951 1.00 0.00 C ATOM 1063 CG GLU A 64 -25.949 -6.692 -8.028 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.476 -6.710 -8.223 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -27.979 -7.465 -9.085 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.194 -5.984 -7.498 1.00 0.00 O ATOM 0 H GLU A 64 -23.592 -4.454 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.636 -5.404 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.722 -4.686 -8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.464 -5.937 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.544 -7.684 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.717 -6.456 -6.990 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.561 -7.651 -8.201 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.797 -8.861 -8.451 1.00 0.00 C ATOM 1075 C VAL A 65 -22.788 -10.019 -8.314 1.00 0.00 C ATOM 1076 O VAL A 65 -23.357 -10.238 -7.240 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.601 -8.946 -7.481 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.621 -10.011 -7.983 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.828 -7.618 -7.352 1.00 0.00 C ATOM 0 H VAL A 65 -22.697 -7.463 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.352 -8.885 -9.446 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.011 -9.194 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.773 -10.076 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.125 -10.977 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.267 -9.740 -8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.999 -7.745 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.440 -7.327 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.498 -6.842 -6.981 1.00 0.00 H new ATOM 1089 N LEU A 66 -23.037 -10.715 -9.425 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.110 -11.701 -9.545 1.00 0.00 C ATOM 1091 C LEU A 66 -23.685 -13.086 -9.055 1.00 0.00 C ATOM 1092 O LEU A 66 -24.533 -13.844 -8.581 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.554 -11.801 -11.021 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.625 -10.778 -11.451 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.210 -9.320 -11.230 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -25.947 -10.974 -12.938 1.00 0.00 C ATOM 0 H LEU A 66 -22.490 -10.607 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.934 -11.364 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.678 -11.676 -11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -24.939 -12.805 -11.202 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.495 -10.963 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.014 -8.660 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -25.011 -9.155 -10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -24.309 -9.107 -11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.704 -10.252 -13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -25.043 -10.825 -13.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.323 -11.984 -13.099 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.407 -13.441 -9.191 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.912 -14.786 -8.968 1.00 0.00 C ATOM 1110 C GLY A 67 -20.491 -14.870 -9.501 1.00 0.00 C ATOM 1111 O GLY A 67 -20.038 -13.972 -10.214 1.00 0.00 O ATOM 0 H GLY A 67 -21.678 -12.783 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.933 -15.026 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.549 -15.513 -9.472 1.00 0.00 H new ATOM 1115 N MET A 68 -19.774 -15.940 -9.169 1.00 0.00 N ATOM 1116 CA MET A 68 -18.491 -16.218 -9.806 1.00 0.00 C ATOM 1117 C MET A 68 -18.725 -16.663 -11.255 1.00 0.00 C ATOM 1118 O MET A 68 -19.785 -17.197 -11.595 1.00 0.00 O ATOM 1119 CB MET A 68 -17.661 -17.234 -9.017 1.00 0.00 C ATOM 1120 CG MET A 68 -17.294 -16.725 -7.619 1.00 0.00 C ATOM 1121 SD MET A 68 -15.752 -17.380 -6.931 1.00 0.00 S ATOM 1122 CE MET A 68 -14.559 -16.383 -7.866 1.00 0.00 C ATOM 0 H MET A 68 -20.057 -16.624 -8.468 1.00 0.00 H new ATOM 0 HA MET A 68 -17.902 -15.301 -9.815 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.220 -18.165 -8.927 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.749 -17.462 -9.569 1.00 0.00 H new ATOM 0 HG2 MET A 68 -17.223 -15.638 -7.654 1.00 0.00 H new ATOM 0 HG3 MET A 68 -18.108 -16.969 -6.937 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.846 -17.041 -8.364 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.087 -15.789 -8.612 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.026 -15.720 -7.185 1.00 0.00 H new ATOM 1132 N ALA A 69 -17.735 -16.410 -12.111 1.00 0.00 N ATOM 1133 CA ALA A 69 -17.788 -16.689 -13.543 1.00 0.00 C ATOM 1134 C ALA A 69 -17.818 -18.203 -13.843 1.00 0.00 C ATOM 1135 O ALA A 69 -17.509 -19.002 -12.953 1.00 0.00 O ATOM 1136 CB ALA A 69 -16.566 -16.028 -14.183 1.00 0.00 C ATOM 0 H ALA A 69 -16.851 -15.994 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 69 -18.711 -16.285 -13.959 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -16.571 -16.216 -15.257 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.597 -14.954 -14.002 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.657 -16.443 -13.747 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.159 -18.603 -15.088 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.075 -19.981 -15.568 1.00 0.00 C ATOM 1144 C PRO A 70 -16.749 -20.686 -15.276 1.00 0.00 C ATOM 1145 O PRO A 70 -15.695 -20.055 -15.149 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.333 -19.909 -17.076 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.261 -18.706 -17.203 1.00 0.00 C ATOM 1148 CD PRO A 70 -18.711 -17.757 -16.142 1.00 0.00 C ATOM 0 HA PRO A 70 -18.808 -20.586 -15.035 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.410 -19.769 -17.638 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.799 -20.820 -17.451 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.223 -18.267 -18.200 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.300 -18.972 -17.011 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.944 -17.106 -16.561 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.498 -17.111 -15.751 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.820 -22.021 -15.297 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.694 -22.949 -15.160 1.00 0.00 C ATOM 1158 C ASP A 71 -14.527 -22.571 -16.070 1.00 0.00 C ATOM 1159 O ASP A 71 -13.368 -22.680 -15.677 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.173 -24.364 -15.502 1.00 0.00 C ATOM 1161 CG ASP A 71 -15.020 -25.380 -15.512 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -14.573 -25.800 -14.423 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -14.619 -25.822 -16.612 1.00 0.00 O ATOM 0 H ASP A 71 -17.709 -22.507 -15.416 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.337 -22.901 -14.131 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.924 -24.677 -14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.657 -24.356 -16.479 1.00 0.00 H new ATOM 1168 N ASP A 72 -14.839 -22.079 -17.272 1.00 0.00 N ATOM 1169 CA ASP A 72 -13.841 -21.721 -18.280 1.00 0.00 C ATOM 1170 C ASP A 72 -12.928 -20.577 -17.820 1.00 0.00 C ATOM 1171 O ASP A 72 -11.794 -20.461 -18.287 1.00 0.00 O ATOM 1172 CB ASP A 72 -14.544 -21.334 -19.585 1.00 0.00 C ATOM 1173 CG ASP A 72 -13.534 -21.011 -20.699 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -12.832 -21.934 -21.171 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -13.481 -19.846 -21.155 1.00 0.00 O ATOM 0 H ASP A 72 -15.800 -21.917 -17.574 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.208 -22.594 -18.439 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.191 -22.150 -19.906 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.184 -20.469 -19.411 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.393 -19.743 -16.887 1.00 0.00 N ATOM 1181 CA GLU A 73 -12.695 -18.547 -16.437 1.00 0.00 C ATOM 1182 C GLU A 73 -12.035 -18.804 -15.083 1.00 0.00 C ATOM 1183 O GLU A 73 -10.845 -18.519 -14.912 1.00 0.00 O ATOM 1184 CB GLU A 73 -13.681 -17.367 -16.374 1.00 0.00 C ATOM 1185 CG GLU A 73 -14.256 -16.941 -17.736 1.00 0.00 C ATOM 1186 CD GLU A 73 -13.241 -16.200 -18.631 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -12.212 -16.794 -19.027 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -13.488 -15.021 -18.975 1.00 0.00 O ATOM 0 H GLU A 73 -14.286 -19.888 -16.416 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.907 -18.292 -17.145 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.506 -17.634 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.176 -16.512 -15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.614 -17.826 -18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.120 -16.297 -17.571 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.758 -19.413 -14.137 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.241 -19.628 -12.788 1.00 0.00 C ATOM 1197 C CYS A 74 -11.143 -20.693 -12.698 1.00 0.00 C ATOM 1198 O CYS A 74 -10.586 -20.904 -11.623 1.00 0.00 O ATOM 1199 CB CYS A 74 -13.377 -19.883 -11.802 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.384 -21.310 -12.275 1.00 0.00 S ATOM 0 H CYS A 74 -13.704 -19.765 -14.284 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.745 -18.700 -12.504 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.963 -20.046 -10.807 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -14.010 -18.998 -11.742 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.400 -21.410 -11.470 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.805 -21.342 -13.812 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.670 -22.253 -13.924 1.00 0.00 C ATOM 1208 C LEU A 75 -8.328 -21.512 -13.912 1.00 0.00 C ATOM 1209 O LEU A 75 -7.298 -22.175 -13.789 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.807 -23.124 -15.190 1.00 0.00 C ATOM 1211 CG LEU A 75 -10.675 -24.379 -14.963 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -11.058 -25.002 -16.312 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -9.946 -25.442 -14.129 1.00 0.00 C ATOM 0 H LEU A 75 -11.327 -21.245 -14.683 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.681 -22.900 -13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.243 -22.527 -15.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.815 -23.430 -15.524 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.563 -24.058 -14.419 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.671 -25.888 -16.143 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.621 -24.278 -16.900 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.154 -25.284 -16.852 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.595 -26.307 -13.995 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.036 -25.748 -14.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.689 -25.027 -13.155 1.00 0.00 H new ATOM 1225 N LYS A 76 -8.307 -20.174 -14.018 1.00 0.00 N ATOM 1226 CA LYS A 76 -7.060 -19.408 -13.948 1.00 0.00 C ATOM 1227 C LYS A 76 -7.143 -18.152 -13.087 1.00 0.00 C ATOM 1228 O LYS A 76 -6.106 -17.721 -12.582 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.530 -19.074 -15.357 1.00 0.00 C ATOM 1230 CG LYS A 76 -7.408 -18.146 -16.220 1.00 0.00 C ATOM 1231 CD LYS A 76 -8.333 -18.890 -17.195 1.00 0.00 C ATOM 1232 CE LYS A 76 -9.209 -17.856 -17.914 1.00 0.00 C ATOM 1233 NZ LYS A 76 -10.010 -18.439 -19.015 1.00 0.00 N ATOM 0 H LYS A 76 -9.142 -19.603 -14.152 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.349 -20.063 -13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.548 -18.613 -15.252 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.387 -20.009 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.015 -17.523 -15.563 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.762 -17.476 -16.788 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.746 -19.457 -17.917 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.955 -19.606 -16.657 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.880 -17.391 -17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.574 -17.065 -18.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.746 -17.763 -19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.390 -18.644 -19.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.457 -19.320 -18.690 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.318 -17.547 -12.915 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.433 -16.269 -12.205 1.00 0.00 C ATOM 1249 C ASP A 77 -9.847 -16.105 -11.659 1.00 0.00 C ATOM 1250 O ASP A 77 -10.795 -16.649 -12.224 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.079 -15.120 -13.159 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.154 -13.736 -12.494 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.884 -13.633 -11.278 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.436 -12.746 -13.204 1.00 0.00 O ATOM 0 H ASP A 77 -9.204 -17.919 -13.256 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.738 -16.252 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.072 -15.275 -13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.757 -15.143 -14.012 1.00 0.00 H new ATOM 1259 N MET A 78 -9.997 -15.398 -10.541 1.00 0.00 N ATOM 1260 CA MET A 78 -11.250 -15.285 -9.804 1.00 0.00 C ATOM 1261 C MET A 78 -12.139 -14.235 -10.474 1.00 0.00 C ATOM 1262 O MET A 78 -12.247 -13.092 -10.026 1.00 0.00 O ATOM 1263 CB MET A 78 -10.979 -15.001 -8.318 1.00 0.00 C ATOM 1264 CG MET A 78 -10.234 -16.151 -7.619 1.00 0.00 C ATOM 1265 SD MET A 78 -11.056 -17.777 -7.625 1.00 0.00 S ATOM 1266 CE MET A 78 -10.183 -18.619 -8.975 1.00 0.00 C ATOM 0 H MET A 78 -9.232 -14.876 -10.114 1.00 0.00 H new ATOM 0 HA MET A 78 -11.792 -16.230 -9.832 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.393 -14.086 -8.228 1.00 0.00 H new ATOM 0 HB3 MET A 78 -11.926 -14.824 -7.808 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.258 -16.261 -8.091 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.057 -15.862 -6.583 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.909 -19.056 -9.661 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.563 -17.900 -9.512 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.552 -19.407 -8.564 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.735 -14.617 -11.601 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.667 -13.784 -12.342 1.00 0.00 C ATOM 1278 C TYR A 79 -15.065 -13.889 -11.722 1.00 0.00 C ATOM 1279 O TYR A 79 -15.433 -14.925 -11.159 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.682 -14.231 -13.809 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.517 -13.751 -14.653 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.543 -12.446 -15.181 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.454 -14.618 -14.977 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.523 -12.007 -16.041 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.442 -14.192 -15.857 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.467 -12.880 -16.387 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.492 -12.449 -17.237 1.00 0.00 O ATOM 0 H TYR A 79 -12.579 -15.530 -12.028 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.354 -12.741 -12.295 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.704 -15.320 -13.838 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.607 -13.882 -14.267 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.352 -11.779 -14.923 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.416 -15.609 -14.550 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.546 -11.003 -16.438 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.644 -14.868 -16.129 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.838 -13.166 -17.375 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.870 -12.841 -11.886 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.237 -12.740 -11.389 1.00 0.00 C ATOM 1299 C VAL A 80 -18.117 -12.136 -12.485 1.00 0.00 C ATOM 1300 O VAL A 80 -17.662 -11.292 -13.258 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.288 -11.904 -10.085 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.728 -12.675 -8.880 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.552 -10.554 -10.173 1.00 0.00 C ATOM 0 H VAL A 80 -15.573 -12.005 -12.390 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.615 -13.732 -11.141 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.351 -11.704 -9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.784 -12.049 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.313 -13.581 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.689 -12.942 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.635 -10.031 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.500 -10.727 -10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.999 -9.947 -10.960 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.373 -12.568 -12.564 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.380 -11.939 -13.407 1.00 0.00 C ATOM 1315 C GLU A 81 -20.834 -10.672 -12.686 1.00 0.00 C ATOM 1316 O GLU A 81 -20.983 -10.665 -11.458 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.565 -12.889 -13.636 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.163 -14.126 -14.451 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.388 -14.985 -14.812 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -22.856 -15.780 -13.966 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -22.886 -14.888 -15.957 1.00 0.00 O ATOM 0 H GLU A 81 -19.721 -13.371 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 81 -19.970 -11.699 -14.388 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.968 -13.205 -12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.361 -12.356 -14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.655 -13.813 -15.363 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.453 -14.724 -13.880 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.063 -9.601 -13.439 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.285 -8.278 -12.887 1.00 0.00 C ATOM 1330 C VAL A 82 -22.312 -7.563 -13.755 1.00 0.00 C ATOM 1331 O VAL A 82 -22.267 -7.668 -14.976 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.913 -7.558 -12.802 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.793 -6.249 -13.597 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.513 -7.352 -11.337 1.00 0.00 C ATOM 0 H VAL A 82 -21.099 -9.632 -14.458 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.694 -8.302 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.212 -8.231 -13.296 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.794 -5.833 -13.465 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.966 -6.448 -14.654 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -20.533 -5.535 -13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.549 -6.846 -11.291 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.266 -6.744 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.439 -8.320 -10.841 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.209 -6.807 -13.137 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.188 -5.979 -13.827 1.00 0.00 C ATOM 1346 C ALA A 83 -23.843 -4.521 -13.566 1.00 0.00 C ATOM 1347 O ALA A 83 -23.535 -4.142 -12.433 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.605 -6.316 -13.364 1.00 0.00 C ATOM 0 H ALA A 83 -23.278 -6.751 -12.121 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.156 -6.171 -14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.320 -5.685 -13.892 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.818 -7.364 -13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.689 -6.140 -12.292 1.00 0.00 H new ATOM 1354 N ASP A 84 -23.882 -3.708 -14.618 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.433 -2.319 -14.605 1.00 0.00 C ATOM 1356 C ASP A 84 -24.519 -1.403 -14.051 1.00 0.00 C ATOM 1357 O ASP A 84 -25.105 -0.593 -14.768 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.002 -1.906 -16.015 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.533 -0.450 -16.082 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.142 0.134 -15.051 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.498 0.106 -17.202 1.00 0.00 O ATOM 0 H ASP A 84 -24.236 -4.005 -15.527 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.572 -2.224 -13.944 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.197 -2.559 -16.351 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -23.836 -2.048 -16.702 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.837 -1.555 -12.769 1.00 0.00 N ATOM 1367 CA ILE A 85 -25.801 -0.699 -12.075 1.00 0.00 C ATOM 1368 C ILE A 85 -25.394 0.788 -12.098 1.00 0.00 C ATOM 1369 O ILE A 85 -26.238 1.656 -11.875 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.078 -1.222 -10.647 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -24.836 -1.171 -9.733 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.673 -2.643 -10.726 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.126 -1.493 -8.261 1.00 0.00 C ATOM 0 H ILE A 85 -24.432 -2.280 -12.176 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.741 -0.751 -12.625 1.00 0.00 H new ATOM 0 HB ILE A 85 -26.804 -0.555 -10.183 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.093 -1.875 -10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.393 -0.177 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.868 -3.012 -9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.605 -2.616 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -25.966 -3.306 -11.225 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.201 -1.435 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -25.844 -0.774 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.539 -2.499 -8.183 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.126 1.094 -12.398 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.614 2.445 -12.571 1.00 0.00 C ATOM 1387 C GLY A 86 -23.824 2.993 -13.988 1.00 0.00 C ATOM 1388 O GLY A 86 -23.498 4.158 -14.226 1.00 0.00 O ATOM 0 H GLY A 86 -23.410 0.379 -12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.103 3.107 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.549 2.456 -12.338 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.357 2.200 -14.924 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.499 2.578 -16.322 1.00 0.00 C ATOM 1394 C GLY A 87 -25.651 1.831 -16.982 1.00 0.00 C ATOM 1395 O GLY A 87 -26.789 2.302 -16.920 1.00 0.00 O ATOM 0 H GLY A 87 -24.706 1.263 -14.721 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.670 3.652 -16.395 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.572 2.365 -16.855 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.371 0.692 -17.631 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.371 -0.026 -18.435 1.00 0.00 C ATOM 1401 C LYS A 88 -27.587 -0.447 -17.610 1.00 0.00 C ATOM 1402 O LYS A 88 -28.700 -0.423 -18.132 1.00 0.00 O ATOM 1403 CB LYS A 88 -25.767 -1.273 -19.107 1.00 0.00 C ATOM 1404 CG LYS A 88 -24.571 -1.018 -20.037 1.00 0.00 C ATOM 1405 CD LYS A 88 -24.887 -0.066 -21.199 1.00 0.00 C ATOM 1406 CE LYS A 88 -23.675 0.023 -22.136 1.00 0.00 C ATOM 1407 NZ LYS A 88 -23.920 0.922 -23.292 1.00 0.00 N ATOM 0 H LYS A 88 -24.454 0.246 -17.614 1.00 0.00 H new ATOM 0 HA LYS A 88 -26.697 0.677 -19.201 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.455 -1.968 -18.327 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.550 -1.769 -19.681 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -23.749 -0.604 -19.453 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.227 -1.970 -20.442 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -25.758 -0.423 -21.748 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.136 0.923 -20.815 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.812 0.382 -21.576 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.426 -0.974 -22.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.074 0.950 -23.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.727 0.567 -23.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.131 1.880 -22.948 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.367 -0.844 -16.354 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.305 -1.342 -15.338 1.00 0.00 C ATOM 1423 C ASP A 89 -29.082 -2.616 -15.701 1.00 0.00 C ATOM 1424 O ASP A 89 -29.447 -3.386 -14.813 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.247 -0.218 -14.887 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.184 -0.675 -13.756 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.720 -0.817 -12.603 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.401 -0.838 -14.003 1.00 0.00 O ATOM 0 H ASP A 89 -26.418 -0.822 -15.979 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.674 -1.659 -14.508 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.659 0.635 -14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -29.841 0.121 -15.736 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.277 -2.887 -16.989 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.107 -3.967 -17.525 1.00 0.00 C ATOM 1435 C ASP A 90 -29.265 -4.971 -18.325 1.00 0.00 C ATOM 1436 O ASP A 90 -29.801 -5.849 -19.003 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.197 -3.331 -18.397 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.254 -4.341 -18.880 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -32.877 -5.030 -18.039 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -32.524 -4.403 -20.101 1.00 0.00 O ATOM 0 H ASP A 90 -28.840 -2.333 -17.725 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.563 -4.529 -16.710 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.691 -2.541 -17.831 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.732 -2.860 -19.263 1.00 0.00 H new ATOM 1445 N ASP A 91 -27.936 -4.852 -18.251 1.00 0.00 N ATOM 1446 CA ASP A 91 -26.993 -5.742 -18.935 1.00 0.00 C ATOM 1447 C ASP A 91 -25.868 -6.167 -17.993 1.00 0.00 C ATOM 1448 O ASP A 91 -25.630 -5.542 -16.954 1.00 0.00 O ATOM 1449 CB ASP A 91 -26.430 -5.086 -20.205 1.00 0.00 C ATOM 1450 CG ASP A 91 -25.762 -6.084 -21.173 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.037 -7.304 -21.100 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -24.981 -5.641 -22.045 1.00 0.00 O ATOM 0 H ASP A 91 -27.478 -4.122 -17.705 1.00 0.00 H new ATOM 0 HA ASP A 91 -27.537 -6.636 -19.239 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.237 -4.572 -20.727 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -25.701 -4.327 -19.919 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.174 -7.232 -18.384 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.211 -7.968 -17.575 1.00 0.00 C ATOM 1459 C VAL A 92 -22.918 -8.158 -18.383 1.00 0.00 C ATOM 1460 O VAL A 92 -22.949 -8.350 -19.602 1.00 0.00 O ATOM 1461 CB VAL A 92 -24.853 -9.318 -17.149 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -23.960 -10.178 -16.241 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -26.194 -9.123 -16.417 1.00 0.00 C ATOM 0 H VAL A 92 -25.274 -7.623 -19.321 1.00 0.00 H new ATOM 0 HA VAL A 92 -23.950 -7.421 -16.669 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.000 -9.838 -18.095 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -24.480 -11.102 -15.989 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.032 -10.414 -16.762 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -23.733 -9.628 -15.327 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -26.602 -10.095 -16.140 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.035 -8.527 -15.518 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -26.896 -8.609 -17.074 1.00 0.00 H new ATOM 1473 N TYR A 93 -21.788 -8.132 -17.678 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.434 -8.355 -18.159 1.00 0.00 C ATOM 1475 C TYR A 93 -19.739 -9.317 -17.179 1.00 0.00 C ATOM 1476 O TYR A 93 -20.364 -9.825 -16.242 1.00 0.00 O ATOM 1477 CB TYR A 93 -19.698 -7.002 -18.230 1.00 0.00 C ATOM 1478 CG TYR A 93 -20.348 -5.965 -19.127 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.050 -5.942 -20.503 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.245 -5.020 -18.588 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -20.635 -4.975 -21.339 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -21.840 -4.055 -19.419 1.00 0.00 C ATOM 1483 CZ TYR A 93 -21.531 -4.023 -20.800 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.087 -3.070 -21.600 1.00 0.00 O ATOM 0 H TYR A 93 -21.802 -7.939 -16.677 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.432 -8.794 -19.157 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -19.623 -6.593 -17.222 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -18.681 -7.177 -18.580 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -19.369 -6.670 -20.918 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.476 -5.038 -17.533 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -20.400 -4.959 -22.393 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -22.533 -3.338 -19.004 1.00 0.00 H new ATOM 0 HH TYR A 93 -22.177 -3.420 -22.511 1.00 0.00 H new ATOM 1494 N THR A 94 -18.438 -9.538 -17.356 1.00 0.00 N ATOM 1495 CA THR A 94 -17.610 -10.290 -16.419 1.00 0.00 C ATOM 1496 C THR A 94 -16.464 -9.365 -15.993 1.00 0.00 C ATOM 1497 O THR A 94 -15.971 -8.576 -16.804 1.00 0.00 O ATOM 1498 CB THR A 94 -17.123 -11.595 -17.083 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.195 -12.265 -17.725 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.511 -12.578 -16.079 1.00 0.00 C ATOM 0 H THR A 94 -17.923 -9.194 -18.167 1.00 0.00 H new ATOM 0 HA THR A 94 -18.164 -10.595 -15.531 1.00 0.00 H new ATOM 0 HB THR A 94 -16.361 -11.291 -17.800 1.00 0.00 H new ATOM 0 HG1 THR A 94 -17.864 -13.088 -18.141 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.186 -13.477 -16.602 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.655 -12.113 -15.590 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.256 -12.844 -15.329 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.051 -9.455 -14.728 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.009 -8.634 -14.131 1.00 0.00 C ATOM 1510 C ALA A 95 -14.094 -9.526 -13.298 1.00 0.00 C ATOM 1511 O ALA A 95 -14.516 -10.569 -12.803 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.648 -7.544 -13.260 1.00 0.00 C ATOM 0 H ALA A 95 -16.450 -10.127 -14.072 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.420 -8.149 -14.909 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.866 -6.930 -12.814 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.294 -6.918 -13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.239 -8.009 -12.471 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.835 -9.129 -13.136 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.912 -9.798 -12.226 1.00 0.00 C ATOM 1520 C LYS A 96 -12.240 -9.297 -10.824 1.00 0.00 C ATOM 1521 O LYS A 96 -12.282 -8.085 -10.610 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.436 -9.557 -12.624 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.114 -8.218 -13.322 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.123 -8.316 -14.858 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.241 -6.963 -15.589 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.214 -5.959 -15.207 1.00 0.00 N ATOM 0 H LYS A 96 -12.427 -8.336 -13.631 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.033 -10.880 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.826 -9.626 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.125 -10.367 -13.283 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.841 -7.468 -13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.135 -7.870 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.207 -8.810 -15.182 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.954 -8.952 -15.163 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.176 -7.139 -16.663 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.229 -6.545 -15.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.947 -5.400 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.601 -5.327 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.374 -6.446 -14.833 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.441 -10.200 -9.859 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.672 -9.831 -8.458 1.00 0.00 C ATOM 1542 C LEU A 97 -11.491 -9.015 -7.917 1.00 0.00 C ATOM 1543 O LEU A 97 -11.673 -8.102 -7.115 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.897 -11.109 -7.631 1.00 0.00 C ATOM 1545 CG LEU A 97 -13.240 -10.872 -6.147 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.524 -10.048 -5.977 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.402 -12.234 -5.458 1.00 0.00 C ATOM 0 H LEU A 97 -12.448 -11.206 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.561 -9.205 -8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.704 -11.682 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.998 -11.723 -7.687 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.429 -10.303 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.727 -9.906 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.399 -9.077 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.359 -10.576 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.645 -12.083 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.205 -12.792 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.471 -12.795 -5.538 1.00 0.00 H new ATOM 1559 N SER A 98 -10.293 -9.304 -8.428 1.00 0.00 N ATOM 1560 CA SER A 98 -9.042 -8.584 -8.238 1.00 0.00 C ATOM 1561 C SER A 98 -9.133 -7.075 -8.520 1.00 0.00 C ATOM 1562 O SER A 98 -8.268 -6.322 -8.075 1.00 0.00 O ATOM 1563 CB SER A 98 -8.023 -9.210 -9.201 1.00 0.00 C ATOM 1564 OG SER A 98 -8.191 -10.619 -9.254 1.00 0.00 O ATOM 0 H SER A 98 -10.167 -10.115 -9.034 1.00 0.00 H new ATOM 0 HA SER A 98 -8.758 -8.672 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.146 -8.785 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.011 -8.970 -8.875 1.00 0.00 H new ATOM 0 HG SER A 98 -7.535 -11.004 -9.873 1.00 0.00 H new ATOM 1570 N ASP A 99 -10.148 -6.627 -9.268 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.248 -5.263 -9.793 1.00 0.00 C ATOM 1572 C ASP A 99 -11.471 -4.532 -9.230 1.00 0.00 C ATOM 1573 O ASP A 99 -11.879 -3.478 -9.721 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.260 -5.374 -11.321 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.837 -4.127 -12.091 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.088 -3.286 -11.550 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.139 -4.099 -13.309 1.00 0.00 O ATOM 0 H ASP A 99 -10.939 -7.216 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.398 -4.657 -9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.603 -6.194 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.267 -5.646 -11.637 1.00 0.00 H new ATOM 1582 N ILE A 100 -12.057 -5.104 -8.177 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.261 -4.621 -7.517 1.00 0.00 C ATOM 1584 C ILE A 100 -12.947 -4.298 -6.059 1.00 0.00 C ATOM 1585 O ILE A 100 -12.064 -4.880 -5.426 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.410 -5.649 -7.711 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.103 -5.324 -9.050 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.457 -5.712 -6.577 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.134 -6.361 -9.488 1.00 0.00 C ATOM 0 H ILE A 100 -11.687 -5.951 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.610 -3.691 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.949 -6.637 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.593 -4.354 -8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.344 -5.232 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.210 -6.462 -6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.965 -5.980 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.936 -4.739 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.574 -6.058 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.648 -7.330 -9.606 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.917 -6.437 -8.733 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.743 -3.371 -5.543 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.793 -2.954 -4.155 1.00 0.00 C ATOM 1603 C GLU A 101 -15.215 -3.257 -3.695 1.00 0.00 C ATOM 1604 O GLU A 101 -16.169 -2.740 -4.277 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.446 -1.460 -4.073 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.617 -0.889 -2.659 1.00 0.00 C ATOM 1607 CD GLU A 101 -13.006 0.521 -2.531 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.344 1.422 -3.333 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -12.181 0.740 -1.614 1.00 0.00 O ATOM 0 H GLU A 101 -14.411 -2.861 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.078 -3.471 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.416 -1.312 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.081 -0.905 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.677 -0.849 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.144 -1.556 -1.938 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.369 -4.137 -2.707 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.680 -4.581 -2.259 1.00 0.00 C ATOM 1618 C ALA A 102 -17.294 -3.517 -1.354 1.00 0.00 C ATOM 1619 O ALA A 102 -16.601 -2.928 -0.519 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.545 -5.906 -1.512 1.00 0.00 C ATOM 0 H ALA A 102 -14.591 -4.558 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.332 -4.731 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.528 -6.237 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -16.116 -6.656 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.894 -5.772 -0.648 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.599 -3.303 -1.503 1.00 0.00 N ATOM 1627 CA ILE A 103 -19.343 -2.257 -0.808 1.00 0.00 C ATOM 1628 C ILE A 103 -20.577 -2.879 -0.150 1.00 0.00 C ATOM 1629 O ILE A 103 -21.252 -3.722 -0.742 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.694 -1.145 -1.826 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -18.409 -0.383 -2.224 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.763 -0.166 -1.302 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.612 0.596 -3.378 1.00 0.00 C ATOM 0 H ILE A 103 -19.181 -3.865 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.752 -1.800 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.125 -1.630 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -18.037 0.163 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.640 -1.104 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.967 0.590 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.679 -0.713 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -20.400 0.318 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.669 1.094 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.955 0.054 -4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -19.358 1.340 -3.097 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.887 -2.397 1.061 1.00 0.00 N ATOM 1646 CA ASP A 104 -22.101 -2.707 1.823 1.00 0.00 C ATOM 1647 C ASP A 104 -22.352 -4.218 1.954 1.00 0.00 C ATOM 1648 O ASP A 104 -23.487 -4.692 1.872 1.00 0.00 O ATOM 1649 CB ASP A 104 -23.296 -1.914 1.263 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.550 -2.022 2.153 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -24.445 -1.862 3.391 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.667 -2.200 1.613 1.00 0.00 O ATOM 0 H ASP A 104 -20.271 -1.753 1.557 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.957 -2.376 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -23.016 -0.865 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.532 -2.278 0.263 1.00 0.00 H new ATOM 1657 N VAL A 105 -21.271 -4.985 2.138 1.00 0.00 N ATOM 1658 CA VAL A 105 -21.314 -6.444 2.213 1.00 0.00 C ATOM 1659 C VAL A 105 -20.949 -6.930 3.626 1.00 0.00 C ATOM 1660 O VAL A 105 -20.435 -6.161 4.445 1.00 0.00 O ATOM 1661 CB VAL A 105 -20.458 -7.029 1.064 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -18.951 -7.094 1.357 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -21.001 -8.395 0.639 1.00 0.00 C ATOM 0 H VAL A 105 -20.331 -4.602 2.240 1.00 0.00 H new ATOM 0 HA VAL A 105 -22.326 -6.819 2.059 1.00 0.00 H new ATOM 0 HB VAL A 105 -20.550 -6.326 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.431 -7.517 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -18.574 -6.090 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -18.777 -7.722 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -20.389 -8.794 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -20.971 -9.078 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -22.030 -8.287 0.296 1.00 0.00 H new ATOM 1673 N ASP A 106 -21.249 -8.199 3.926 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.965 -8.820 5.219 1.00 0.00 C ATOM 1675 C ASP A 106 -19.459 -8.947 5.438 1.00 0.00 C ATOM 1676 O ASP A 106 -18.684 -9.042 4.485 1.00 0.00 O ATOM 1677 CB ASP A 106 -21.608 -10.208 5.304 1.00 0.00 C ATOM 1678 CG ASP A 106 -21.366 -10.865 6.672 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -22.037 -10.472 7.653 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -20.490 -11.751 6.776 1.00 0.00 O ATOM 0 H ASP A 106 -21.703 -8.830 3.266 1.00 0.00 H new ATOM 0 HA ASP A 106 -21.386 -8.181 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.680 -10.124 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.203 -10.845 4.518 1.00 0.00 H new ATOM 1685 N ASP A 107 -19.058 -8.984 6.706 1.00 0.00 N ATOM 1686 CA ASP A 107 -17.665 -9.077 7.120 1.00 0.00 C ATOM 1687 C ASP A 107 -16.965 -10.291 6.516 1.00 0.00 C ATOM 1688 O ASP A 107 -15.843 -10.148 6.040 1.00 0.00 O ATOM 1689 CB ASP A 107 -17.582 -9.127 8.648 1.00 0.00 C ATOM 1690 CG ASP A 107 -16.128 -9.270 9.124 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -15.380 -8.267 9.096 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -15.748 -10.367 9.592 1.00 0.00 O ATOM 0 H ASP A 107 -19.709 -8.949 7.490 1.00 0.00 H new ATOM 0 HA ASP A 107 -17.150 -8.190 6.751 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -18.017 -8.220 9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -18.172 -9.965 9.019 1.00 0.00 H new ATOM 1697 N ASP A 108 -17.605 -11.465 6.473 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.934 -12.670 5.976 1.00 0.00 C ATOM 1699 C ASP A 108 -16.736 -12.593 4.461 1.00 0.00 C ATOM 1700 O ASP A 108 -15.715 -13.040 3.937 1.00 0.00 O ATOM 1701 CB ASP A 108 -17.716 -13.942 6.336 1.00 0.00 C ATOM 1702 CG ASP A 108 -16.853 -15.217 6.277 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -15.637 -15.172 6.568 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -17.420 -16.304 6.025 1.00 0.00 O ATOM 0 H ASP A 108 -18.570 -11.605 6.771 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.959 -12.721 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -18.129 -13.836 7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.559 -14.049 5.653 1.00 0.00 H new ATOM 1709 N THR A 109 -17.692 -11.979 3.760 1.00 0.00 N ATOM 1710 CA THR A 109 -17.610 -11.720 2.333 1.00 0.00 C ATOM 1711 C THR A 109 -16.447 -10.760 2.072 1.00 0.00 C ATOM 1712 O THR A 109 -15.556 -11.070 1.280 1.00 0.00 O ATOM 1713 CB THR A 109 -18.948 -11.128 1.854 1.00 0.00 C ATOM 1714 OG1 THR A 109 -20.013 -11.916 2.342 1.00 0.00 O ATOM 1715 CG2 THR A 109 -19.020 -11.054 0.329 1.00 0.00 C ATOM 0 H THR A 109 -18.558 -11.644 4.182 1.00 0.00 H new ATOM 0 HA THR A 109 -17.427 -12.641 1.780 1.00 0.00 H new ATOM 0 HB THR A 109 -19.025 -10.112 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 109 -20.865 -11.538 2.039 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.979 -10.631 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.213 -10.423 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.919 -12.056 -0.089 1.00 0.00 H new ATOM 1723 N GLN A 110 -16.426 -9.614 2.764 1.00 0.00 N ATOM 1724 CA GLN A 110 -15.401 -8.597 2.592 1.00 0.00 C ATOM 1725 C GLN A 110 -14.020 -9.192 2.894 1.00 0.00 C ATOM 1726 O GLN A 110 -13.096 -9.006 2.106 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.724 -7.380 3.483 1.00 0.00 C ATOM 1728 CG GLN A 110 -15.215 -6.047 2.912 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.691 -5.975 2.790 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.972 -5.944 3.785 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -13.166 -5.944 1.574 1.00 0.00 N ATOM 0 H GLN A 110 -17.129 -9.372 3.463 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.385 -8.252 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.803 -7.318 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.285 -7.535 4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.658 -5.890 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.559 -5.233 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.774 -5.970 0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.154 -5.894 1.457 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.878 -9.949 3.983 1.00 0.00 N ATOM 1741 CA GLU A 111 -12.607 -10.548 4.371 1.00 0.00 C ATOM 1742 C GLU A 111 -12.122 -11.550 3.321 1.00 0.00 C ATOM 1743 O GLU A 111 -10.924 -11.589 3.051 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.728 -11.220 5.748 1.00 0.00 C ATOM 1745 CG GLU A 111 -12.737 -10.213 6.911 1.00 0.00 C ATOM 1746 CD GLU A 111 -11.348 -9.597 7.161 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -10.515 -10.226 7.853 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -11.078 -8.470 6.688 1.00 0.00 O ATOM 0 H GLU A 111 -14.645 -10.163 4.620 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.866 -9.751 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.644 -11.810 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.898 -11.913 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.451 -9.418 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.080 -10.712 7.818 1.00 0.00 H new ATOM 1755 N ALA A 112 -13.013 -12.327 2.691 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.607 -13.259 1.643 1.00 0.00 C ATOM 1757 C ALA A 112 -12.046 -12.502 0.433 1.00 0.00 C ATOM 1758 O ALA A 112 -11.041 -12.913 -0.148 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.788 -14.146 1.235 1.00 0.00 C ATOM 0 H ALA A 112 -14.013 -12.326 2.891 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.816 -13.899 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.472 -14.836 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -14.134 -14.712 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.600 -13.522 0.861 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.673 -11.380 0.069 1.00 0.00 N ATOM 1766 CA ILE A 113 -12.245 -10.550 -1.054 1.00 0.00 C ATOM 1767 C ILE A 113 -10.906 -9.891 -0.702 1.00 0.00 C ATOM 1768 O ILE A 113 -9.983 -9.909 -1.516 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.353 -9.525 -1.398 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.640 -10.271 -1.816 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.918 -8.567 -2.524 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.888 -9.392 -1.871 1.00 0.00 C ATOM 0 H ILE A 113 -13.498 -11.022 0.551 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.089 -11.153 -1.948 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.542 -8.926 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.483 -10.720 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.816 -11.088 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.724 -7.864 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.030 -8.018 -2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.692 -9.141 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.745 -9.995 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -16.075 -8.963 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.737 -8.590 -2.593 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.770 -9.352 0.514 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.527 -8.762 0.986 1.00 0.00 C ATOM 1786 C ALA A 114 -8.404 -9.800 0.963 1.00 0.00 C ATOM 1787 O ALA A 114 -7.298 -9.495 0.528 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.719 -8.197 2.397 1.00 0.00 C ATOM 0 H ALA A 114 -11.527 -9.316 1.197 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.246 -7.945 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.784 -7.757 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.495 -7.432 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.015 -8.999 3.073 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.686 -11.033 1.382 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.693 -12.102 1.422 1.00 0.00 C ATOM 1796 C ASP A 115 -7.262 -12.527 0.017 1.00 0.00 C ATOM 1797 O ASP A 115 -6.071 -12.740 -0.211 1.00 0.00 O ATOM 1798 CB ASP A 115 -8.220 -13.303 2.208 1.00 0.00 C ATOM 1799 CG ASP A 115 -7.122 -14.367 2.367 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -6.108 -14.090 3.048 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -7.298 -15.496 1.865 1.00 0.00 O ATOM 0 H ASP A 115 -9.611 -11.318 1.703 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.813 -11.710 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.566 -12.979 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -9.079 -13.733 1.693 1.00 0.00 H new ATOM 1806 N TRP A 116 -8.192 -12.576 -0.947 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.848 -12.760 -2.354 1.00 0.00 C ATOM 1808 C TRP A 116 -6.927 -11.634 -2.835 1.00 0.00 C ATOM 1809 O TRP A 116 -5.914 -11.905 -3.479 1.00 0.00 O ATOM 1810 CB TRP A 116 -9.118 -12.843 -3.217 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.862 -12.758 -4.693 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.189 -11.716 -5.493 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -8.131 -13.694 -5.547 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.711 -11.942 -6.767 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -8.040 -13.139 -6.856 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.503 -14.939 -5.345 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.364 -13.784 -7.902 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -6.842 -15.609 -6.391 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.765 -15.030 -7.668 1.00 0.00 C ATOM 0 H TRP A 116 -9.193 -12.490 -0.771 1.00 0.00 H new ATOM 0 HA TRP A 116 -7.310 -13.702 -2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.630 -13.781 -3.001 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.793 -12.037 -2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.740 -10.841 -5.181 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.840 -11.299 -7.548 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.530 -15.390 -4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.305 -13.325 -8.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.391 -16.574 -6.211 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.247 -15.542 -8.466 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.242 -10.377 -2.510 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.438 -9.232 -2.931 1.00 0.00 C ATOM 1832 C LEU A 117 -5.038 -9.301 -2.307 1.00 0.00 C ATOM 1833 O LEU A 117 -4.050 -9.051 -2.999 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.146 -7.917 -2.557 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.406 -7.634 -3.401 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.282 -6.586 -2.707 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.046 -7.146 -4.808 1.00 0.00 C ATOM 0 H LEU A 117 -8.058 -10.128 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.325 -9.261 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.424 -7.950 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.446 -7.090 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.955 -8.571 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.168 -6.394 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.584 -6.956 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.717 -5.661 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.959 -6.957 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.467 -6.225 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.456 -7.908 -5.317 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.925 -9.675 -1.027 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.635 -9.835 -0.362 1.00 0.00 C ATOM 1851 C TYR A 118 -2.834 -10.965 -1.008 1.00 0.00 C ATOM 1852 O TYR A 118 -1.640 -10.797 -1.243 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.807 -10.098 1.144 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.538 -9.038 1.960 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.452 -7.666 1.636 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.298 -9.437 3.078 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.144 -6.709 2.402 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.993 -8.487 3.847 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.923 -7.117 3.509 1.00 0.00 C ATOM 1860 OH TYR A 118 -6.602 -6.204 4.260 1.00 0.00 O ATOM 0 H TYR A 118 -5.726 -9.874 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.085 -8.901 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.339 -11.042 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.816 -10.234 1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.852 -7.349 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.347 -10.482 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.080 -5.662 2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.580 -8.805 4.696 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.084 -6.665 4.978 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.466 -12.092 -1.347 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.812 -13.169 -2.083 1.00 0.00 C ATOM 1872 C TRP A 119 -2.323 -12.681 -3.450 1.00 0.00 C ATOM 1873 O TRP A 119 -1.217 -13.027 -3.872 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.776 -14.350 -2.241 1.00 0.00 C ATOM 1875 CG TRP A 119 -3.445 -15.274 -3.372 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -4.013 -15.234 -4.597 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -2.438 -16.328 -3.437 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -3.445 -16.188 -5.409 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.465 -16.896 -4.746 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.505 -16.863 -2.521 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.616 -17.948 -5.120 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.645 -17.916 -2.889 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.700 -18.459 -4.186 1.00 0.00 C ATOM 0 H TRP A 119 -4.442 -12.280 -1.118 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.940 -13.498 -1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.786 -14.921 -1.313 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.784 -13.963 -2.388 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.797 -14.554 -4.895 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.715 -16.351 -6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.450 -16.458 -1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.666 -18.361 -6.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.060 -18.309 -2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.039 -19.267 -4.463 1.00 0.00 H new ATOM 1894 N LEU A 120 -3.117 -11.861 -4.143 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.768 -11.375 -5.468 1.00 0.00 C ATOM 1896 C LEU A 120 -1.474 -10.561 -5.366 1.00 0.00 C ATOM 1897 O LEU A 120 -0.551 -10.745 -6.159 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.910 -10.505 -6.018 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.823 -10.340 -7.546 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -4.637 -11.440 -8.238 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.347 -8.960 -7.952 1.00 0.00 C ATOM 0 H LEU A 120 -4.014 -11.520 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.616 -12.213 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.868 -10.955 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.879 -9.524 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.781 -10.426 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.571 -11.316 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.240 -12.416 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.680 -11.370 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.282 -8.850 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.386 -8.859 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.746 -8.187 -7.473 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.398 -9.700 -4.344 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.228 -8.893 -4.033 1.00 0.00 C ATOM 1915 C ALA A 121 0.964 -9.755 -3.595 1.00 0.00 C ATOM 1916 O ALA A 121 2.095 -9.473 -3.990 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.612 -7.898 -2.933 1.00 0.00 C ATOM 0 H ALA A 121 -2.172 -9.547 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 121 0.088 -8.362 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.251 -7.281 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.423 -7.261 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.937 -8.443 -2.047 1.00 0.00 H new