USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 676 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 61 TYR OH : rot -50:sc= -1.92! USER MOD Set 1.2: B 66 GLN : amide:sc= -0.443 K(o=-2.4,f=0.67) USER MOD Set 2.1: A 29 MET CE :methyl 164:sc= -0.243 (180deg=-0.762) USER MOD Set 2.2: A 33 TYR OH : rot 133:sc= 0.653 USER MOD Set 2.3: A 51 GLN : amide:sc= 0 K(o=0.45,f=-0.22) USER MOD Set 2.4: B 29 MET CE :methyl -133:sc= -0.569 (180deg=-1.27) USER MOD Set 2.5: B 33 TYR OH : rot -150:sc= 0.613 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 32 CYS SG : rot 75:sc= 0.141 USER MOD Single : A 34 SER OG : rot 59:sc= 0.00712 USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.0149 USER MOD Single : A 48 GLN : amide:sc= 0.254 K(o=0.25,f=-6.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.6) USER MOD Single : A 66 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.1) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 HIS : no HD1:sc= -0.0455 X(o=-0.045,f=0) USER MOD Single : B 32 CYS SG : rot 72:sc= 0.264 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0.683 K(o=0.68,f=-5.2!) USER MOD Single : B 50 SER OG : rot 88:sc= 0.114 USER MOD Single : B 51 GLN : amide:sc= 1.07 K(o=1.1,f=-0.19) USER MOD Single : B 56 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.43) USER MOD Single : B 61 TYR OH : rot 85:sc= 0.683 USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 10.144 13.937 3.763 1.00 21.31 N ATOM 372 CA ASP A 27 8.888 13.201 3.564 1.00 52.21 C ATOM 373 C ASP A 27 9.061 11.685 3.844 1.00 1.33 C ATOM 374 O ASP A 27 9.476 10.920 2.964 1.00 41.22 O ATOM 375 CB ASP A 27 8.363 13.436 2.127 1.00 4.11 C ATOM 376 CG ASP A 27 8.092 14.919 1.835 1.00 62.34 C ATOM 377 OD1 ASP A 27 6.972 15.397 2.111 1.00 12.32 O ATOM 378 OD2 ASP A 27 9.003 15.611 1.331 1.00 72.03 O ATOM 0 HA ASP A 27 8.157 13.579 4.278 1.00 52.21 H new ATOM 0 HB2 ASP A 27 9.091 13.055 1.411 1.00 4.11 H new ATOM 0 HB3 ASP A 27 7.445 12.867 1.981 1.00 4.11 H new ATOM 383 N ASP A 28 8.780 11.286 5.102 1.00 5.44 N ATOM 384 CA ASP A 28 8.691 9.862 5.513 1.00 33.32 C ATOM 385 C ASP A 28 7.675 9.109 4.609 1.00 73.21 C ATOM 386 O ASP A 28 7.946 8.000 4.135 1.00 42.31 O ATOM 387 CB ASP A 28 8.270 9.793 7.019 1.00 70.30 C ATOM 388 CG ASP A 28 8.308 8.386 7.679 1.00 10.32 C ATOM 389 OD1 ASP A 28 8.356 7.354 6.979 1.00 54.51 O ATOM 390 OD2 ASP A 28 8.262 8.313 8.928 1.00 34.35 O ATOM 0 H ASP A 28 8.608 11.940 5.865 1.00 5.44 H new ATOM 0 HA ASP A 28 9.661 9.378 5.396 1.00 33.32 H new ATOM 0 HB2 ASP A 28 8.922 10.456 7.588 1.00 70.30 H new ATOM 0 HB3 ASP A 28 7.258 10.187 7.110 1.00 70.30 H new ATOM 395 N MET A 29 6.528 9.769 4.349 1.00 34.10 N ATOM 396 CA MET A 29 5.441 9.205 3.522 1.00 25.04 C ATOM 397 C MET A 29 5.933 8.853 2.100 1.00 72.22 C ATOM 398 O MET A 29 5.707 7.745 1.619 1.00 21.40 O ATOM 399 CB MET A 29 4.245 10.187 3.420 1.00 61.42 C ATOM 400 CG MET A 29 3.719 10.686 4.769 1.00 20.23 C ATOM 401 SD MET A 29 2.043 11.355 4.676 1.00 22.01 S ATOM 402 CE MET A 29 1.105 9.871 4.313 1.00 53.33 C ATOM 0 H MET A 29 6.329 10.704 4.705 1.00 34.10 H new ATOM 0 HA MET A 29 5.113 8.291 4.017 1.00 25.04 H new ATOM 0 HB2 MET A 29 4.546 11.046 2.821 1.00 61.42 H new ATOM 0 HB3 MET A 29 3.432 9.696 2.886 1.00 61.42 H new ATOM 0 HG2 MET A 29 3.736 9.864 5.485 1.00 20.23 H new ATOM 0 HG3 MET A 29 4.390 11.456 5.151 1.00 20.23 H new ATOM 0 HE1 MET A 29 0.047 10.053 4.503 1.00 53.33 H new ATOM 0 HE2 MET A 29 1.244 9.600 3.266 1.00 53.33 H new ATOM 0 HE3 MET A 29 1.453 9.056 4.948 1.00 53.33 H new ATOM 412 N ASN A 30 6.629 9.813 1.456 1.00 4.25 N ATOM 413 CA ASN A 30 7.113 9.671 0.059 1.00 73.54 C ATOM 414 C ASN A 30 8.279 8.646 -0.043 1.00 52.14 C ATOM 415 O ASN A 30 8.444 7.975 -1.074 1.00 72.05 O ATOM 416 CB ASN A 30 7.527 11.059 -0.497 1.00 23.13 C ATOM 417 CG ASN A 30 7.770 11.053 -2.008 1.00 14.21 C ATOM 418 OD1 ASN A 30 8.888 10.871 -2.480 1.00 43.20 O ATOM 419 ND2 ASN A 30 6.718 11.231 -2.781 1.00 71.25 N ATOM 0 H ASN A 30 6.873 10.706 1.884 1.00 4.25 H new ATOM 0 HA ASN A 30 6.298 9.280 -0.551 1.00 73.54 H new ATOM 0 HB2 ASN A 30 6.748 11.784 -0.263 1.00 23.13 H new ATOM 0 HB3 ASN A 30 8.433 11.391 0.009 1.00 23.13 H new ATOM 0 HD21 ASN A 30 6.823 11.219 -3.796 1.00 71.25 H new ATOM 0 HD22 ASN A 30 5.799 11.380 -2.365 1.00 71.25 H new ATOM 426 N HIS A 31 9.066 8.526 1.046 1.00 30.01 N ATOM 427 CA HIS A 31 10.124 7.494 1.180 1.00 35.41 C ATOM 428 C HIS A 31 9.495 6.071 1.178 1.00 71.24 C ATOM 429 O HIS A 31 10.028 5.134 0.566 1.00 25.34 O ATOM 430 CB HIS A 31 10.937 7.743 2.480 1.00 53.14 C ATOM 431 CG HIS A 31 12.153 6.854 2.636 1.00 4.33 C ATOM 432 ND1 HIS A 31 12.117 5.697 3.381 1.00 4.13 N ATOM 433 CD2 HIS A 31 13.400 6.999 2.118 1.00 61.14 C ATOM 434 CE1 HIS A 31 13.324 5.171 3.300 1.00 63.34 C ATOM 435 NE2 HIS A 31 14.133 5.922 2.547 1.00 22.03 N ATOM 0 H HIS A 31 8.989 9.139 1.858 1.00 30.01 H new ATOM 0 HA HIS A 31 10.802 7.561 0.329 1.00 35.41 H new ATOM 0 HB2 HIS A 31 11.258 8.784 2.500 1.00 53.14 H new ATOM 0 HB3 HIS A 31 10.281 7.595 3.338 1.00 53.14 H new ATOM 0 HD2 HIS A 31 13.747 7.806 1.490 1.00 61.14 H new ATOM 0 HE1 HIS A 31 13.621 4.251 3.781 1.00 63.34 H new ATOM 0 HE2 HIS A 31 15.111 5.730 2.332 1.00 22.03 H new ATOM 443 N CYS A 32 8.340 5.947 1.863 1.00 72.41 N ATOM 444 CA CYS A 32 7.509 4.717 1.864 1.00 43.35 C ATOM 445 C CYS A 32 6.854 4.452 0.477 1.00 63.40 C ATOM 446 O CYS A 32 6.769 3.299 0.032 1.00 32.12 O ATOM 447 CB CYS A 32 6.421 4.817 2.963 1.00 61.04 C ATOM 448 SG CYS A 32 7.076 4.891 4.654 1.00 61.04 S ATOM 0 H CYS A 32 7.953 6.698 2.434 1.00 72.41 H new ATOM 0 HA CYS A 32 8.166 3.874 2.077 1.00 43.35 H new ATOM 0 HB2 CYS A 32 5.817 5.705 2.780 1.00 61.04 H new ATOM 0 HB3 CYS A 32 5.757 3.957 2.880 1.00 61.04 H new ATOM 0 HG CYS A 32 7.567 6.074 4.878 1.00 61.04 H new ATOM 454 N TYR A 33 6.410 5.542 -0.194 1.00 12.23 N ATOM 455 CA TYR A 33 5.802 5.494 -1.559 1.00 41.24 C ATOM 456 C TYR A 33 6.753 4.888 -2.622 1.00 32.42 C ATOM 457 O TYR A 33 6.293 4.294 -3.606 1.00 35.54 O ATOM 458 CB TYR A 33 5.318 6.916 -2.003 1.00 61.20 C ATOM 459 CG TYR A 33 3.873 7.252 -1.588 1.00 34.34 C ATOM 460 CD1 TYR A 33 2.810 6.641 -2.238 1.00 41.34 C ATOM 461 CD2 TYR A 33 3.568 8.148 -0.561 1.00 62.42 C ATOM 462 CE1 TYR A 33 1.512 6.909 -1.904 1.00 64.13 C ATOM 463 CE2 TYR A 33 2.261 8.426 -0.216 1.00 64.11 C ATOM 464 CZ TYR A 33 1.235 7.796 -0.883 1.00 60.54 C ATOM 465 OH TYR A 33 -0.067 8.069 -0.541 1.00 64.11 O ATOM 0 H TYR A 33 6.461 6.485 0.192 1.00 12.23 H new ATOM 0 HA TYR A 33 4.941 4.829 -1.491 1.00 41.24 H new ATOM 0 HB2 TYR A 33 5.988 7.664 -1.579 1.00 61.20 H new ATOM 0 HB3 TYR A 33 5.399 6.993 -3.087 1.00 61.20 H new ATOM 0 HD1 TYR A 33 3.014 5.935 -3.029 1.00 41.34 H new ATOM 0 HD2 TYR A 33 4.371 8.633 -0.026 1.00 62.42 H new ATOM 0 HE1 TYR A 33 0.705 6.428 -2.437 1.00 64.13 H new ATOM 0 HE2 TYR A 33 2.045 9.133 0.572 1.00 64.11 H new ATOM 0 HH TYR A 33 -0.168 8.014 0.432 1.00 64.11 H new ATOM 475 N SER A 34 8.072 5.067 -2.421 1.00 42.33 N ATOM 476 CA SER A 34 9.116 4.444 -3.272 1.00 33.40 C ATOM 477 C SER A 34 8.994 2.896 -3.273 1.00 71.32 C ATOM 478 O SER A 34 8.986 2.270 -4.334 1.00 64.33 O ATOM 479 CB SER A 34 10.522 4.873 -2.792 1.00 2.21 C ATOM 480 OG SER A 34 10.686 6.286 -2.858 1.00 12.25 O ATOM 0 H SER A 34 8.448 5.644 -1.669 1.00 42.33 H new ATOM 0 HA SER A 34 8.969 4.791 -4.295 1.00 33.40 H new ATOM 0 HB2 SER A 34 10.677 4.535 -1.767 1.00 2.21 H new ATOM 0 HB3 SER A 34 11.281 4.388 -3.406 1.00 2.21 H new ATOM 0 HG SER A 34 10.006 6.721 -2.302 1.00 12.25 H new ATOM 486 N ARG A 35 8.847 2.303 -2.066 1.00 75.23 N ATOM 487 CA ARG A 35 8.709 0.829 -1.886 1.00 54.04 C ATOM 488 C ARG A 35 7.346 0.287 -2.355 1.00 64.42 C ATOM 489 O ARG A 35 7.238 -0.885 -2.708 1.00 34.22 O ATOM 490 CB ARG A 35 8.986 0.434 -0.411 1.00 54.10 C ATOM 491 CG ARG A 35 10.477 0.506 -0.027 1.00 1.11 C ATOM 492 CD ARG A 35 11.325 -0.543 -0.775 1.00 20.13 C ATOM 493 NE ARG A 35 12.756 -0.478 -0.425 1.00 25.24 N ATOM 494 CZ ARG A 35 13.745 -0.939 -1.169 1.00 61.12 C ATOM 495 NH1 ARG A 35 13.541 -1.431 -2.357 1.00 73.34 N ATOM 496 NH2 ARG A 35 14.950 -0.889 -0.717 1.00 73.13 N ATOM 0 H ARG A 35 8.820 2.825 -1.190 1.00 75.23 H new ATOM 0 HA ARG A 35 9.458 0.363 -2.527 1.00 54.04 H new ATOM 0 HB2 ARG A 35 8.417 1.092 0.246 1.00 54.10 H new ATOM 0 HB3 ARG A 35 8.623 -0.579 -0.240 1.00 54.10 H new ATOM 0 HG2 ARG A 35 10.859 1.503 -0.247 1.00 1.11 H new ATOM 0 HG3 ARG A 35 10.581 0.355 1.047 1.00 1.11 H new ATOM 0 HD2 ARG A 35 10.945 -1.539 -0.548 1.00 20.13 H new ATOM 0 HD3 ARG A 35 11.212 -0.396 -1.849 1.00 20.13 H new ATOM 0 HE ARG A 35 13.002 -0.042 0.464 1.00 25.24 H new ATOM 0 HH11 ARG A 35 12.596 -1.468 -2.738 1.00 73.34 H new ATOM 0 HH12 ARG A 35 14.327 -1.779 -2.907 1.00 73.34 H new ATOM 0 HH21 ARG A 35 15.132 -0.496 0.207 1.00 73.13 H new ATOM 0 HH22 ARG A 35 15.722 -1.242 -1.283 1.00 73.13 H new ATOM 510 N LEU A 36 6.318 1.146 -2.357 1.00 4.24 N ATOM 511 CA LEU A 36 4.997 0.813 -2.938 1.00 51.32 C ATOM 512 C LEU A 36 5.072 0.645 -4.482 1.00 14.52 C ATOM 513 O LEU A 36 4.150 0.135 -5.094 1.00 34.21 O ATOM 514 CB LEU A 36 3.932 1.864 -2.561 1.00 45.43 C ATOM 515 CG LEU A 36 3.723 2.138 -1.036 1.00 2.01 C ATOM 516 CD1 LEU A 36 2.591 3.161 -0.808 1.00 44.42 C ATOM 517 CD2 LEU A 36 3.470 0.829 -0.242 1.00 62.44 C ATOM 0 H LEU A 36 6.370 2.085 -1.961 1.00 4.24 H new ATOM 0 HA LEU A 36 4.697 -0.144 -2.511 1.00 51.32 H new ATOM 0 HB2 LEU A 36 4.198 2.805 -3.042 1.00 45.43 H new ATOM 0 HB3 LEU A 36 2.978 1.548 -2.984 1.00 45.43 H new ATOM 0 HG LEU A 36 4.648 2.569 -0.653 1.00 2.01 H new ATOM 0 HD11 LEU A 36 2.466 3.334 0.261 1.00 44.42 H new ATOM 0 HD12 LEU A 36 2.845 4.100 -1.300 1.00 44.42 H new ATOM 0 HD13 LEU A 36 1.661 2.773 -1.224 1.00 44.42 H new ATOM 0 HD21 LEU A 36 3.330 1.065 0.813 1.00 62.44 H new ATOM 0 HD22 LEU A 36 2.576 0.338 -0.626 1.00 62.44 H new ATOM 0 HD23 LEU A 36 4.326 0.164 -0.355 1.00 62.44 H new ATOM 529 N ARG A 37 6.125 1.195 -5.112 1.00 51.14 N ATOM 530 CA ARG A 37 6.431 0.924 -6.542 1.00 32.50 C ATOM 531 C ARG A 37 7.368 -0.307 -6.712 1.00 21.24 C ATOM 532 O ARG A 37 7.279 -1.025 -7.714 1.00 11.45 O ATOM 533 CB ARG A 37 7.061 2.167 -7.198 1.00 2.13 C ATOM 534 CG ARG A 37 6.146 3.405 -7.166 1.00 33.12 C ATOM 535 CD ARG A 37 6.716 4.583 -7.962 1.00 31.41 C ATOM 536 NE ARG A 37 8.052 4.996 -7.485 1.00 30.11 N ATOM 537 CZ ARG A 37 8.823 5.899 -8.062 1.00 43.10 C ATOM 538 NH1 ARG A 37 8.445 6.522 -9.136 1.00 4.01 N ATOM 539 NH2 ARG A 37 9.987 6.159 -7.565 1.00 72.52 N ATOM 0 H ARG A 37 6.783 1.830 -4.660 1.00 51.14 H new ATOM 0 HA ARG A 37 5.490 0.692 -7.040 1.00 32.50 H new ATOM 0 HB2 ARG A 37 7.996 2.402 -6.690 1.00 2.13 H new ATOM 0 HB3 ARG A 37 7.310 1.935 -8.233 1.00 2.13 H new ATOM 0 HG2 ARG A 37 5.168 3.139 -7.568 1.00 33.12 H new ATOM 0 HG3 ARG A 37 5.993 3.711 -6.131 1.00 33.12 H new ATOM 0 HD2 ARG A 37 6.779 4.309 -9.015 1.00 31.41 H new ATOM 0 HD3 ARG A 37 6.032 5.429 -7.893 1.00 31.41 H new ATOM 0 HE ARG A 37 8.408 4.547 -6.641 1.00 30.11 H new ATOM 0 HH11 ARG A 37 7.536 6.318 -9.551 1.00 4.01 H new ATOM 0 HH12 ARG A 37 9.057 7.216 -9.565 1.00 4.01 H new ATOM 0 HH21 ARG A 37 10.307 5.667 -6.730 1.00 72.52 H new ATOM 0 HH22 ARG A 37 10.586 6.856 -8.007 1.00 72.52 H new ATOM 553 N GLU A 38 8.251 -0.550 -5.710 1.00 4.44 N ATOM 554 CA GLU A 38 9.283 -1.630 -5.776 1.00 65.00 C ATOM 555 C GLU A 38 8.640 -3.032 -5.631 1.00 70.22 C ATOM 556 O GLU A 38 8.949 -3.970 -6.379 1.00 23.13 O ATOM 557 CB GLU A 38 10.352 -1.436 -4.647 1.00 71.10 C ATOM 558 CG GLU A 38 11.133 -0.102 -4.680 1.00 70.01 C ATOM 559 CD GLU A 38 12.132 0.020 -5.843 1.00 73.33 C ATOM 560 OE1 GLU A 38 11.711 0.361 -6.967 1.00 22.45 O ATOM 561 OE2 GLU A 38 13.343 -0.223 -5.627 1.00 25.00 O ATOM 0 H GLU A 38 8.273 -0.014 -4.843 1.00 4.44 H new ATOM 0 HA GLU A 38 9.764 -1.563 -6.752 1.00 65.00 H new ATOM 0 HB2 GLU A 38 9.852 -1.519 -3.682 1.00 71.10 H new ATOM 0 HB3 GLU A 38 11.068 -2.256 -4.706 1.00 71.10 H new ATOM 0 HG2 GLU A 38 10.421 0.721 -4.741 1.00 70.01 H new ATOM 0 HG3 GLU A 38 11.673 0.013 -3.740 1.00 70.01 H new ATOM 568 N LEU A 39 7.723 -3.131 -4.662 1.00 45.23 N ATOM 569 CA LEU A 39 7.099 -4.398 -4.233 1.00 55.54 C ATOM 570 C LEU A 39 5.843 -4.762 -5.069 1.00 2.22 C ATOM 571 O LEU A 39 5.226 -5.814 -4.843 1.00 10.11 O ATOM 572 CB LEU A 39 6.730 -4.273 -2.732 1.00 72.32 C ATOM 573 CG LEU A 39 7.925 -4.021 -1.750 1.00 11.32 C ATOM 574 CD1 LEU A 39 7.423 -3.750 -0.311 1.00 2.34 C ATOM 575 CD2 LEU A 39 8.938 -5.196 -1.783 1.00 33.21 C ATOM 0 H LEU A 39 7.385 -2.322 -4.142 1.00 45.23 H new ATOM 0 HA LEU A 39 7.814 -5.205 -4.392 1.00 55.54 H new ATOM 0 HB2 LEU A 39 6.016 -3.457 -2.621 1.00 72.32 H new ATOM 0 HB3 LEU A 39 6.221 -5.187 -2.426 1.00 72.32 H new ATOM 0 HG LEU A 39 8.448 -3.127 -2.089 1.00 11.32 H new ATOM 0 HD11 LEU A 39 8.276 -3.579 0.346 1.00 2.34 H new ATOM 0 HD12 LEU A 39 6.781 -2.869 -0.309 1.00 2.34 H new ATOM 0 HD13 LEU A 39 6.858 -4.611 0.045 1.00 2.34 H new ATOM 0 HD21 LEU A 39 9.755 -4.991 -1.091 1.00 33.21 H new ATOM 0 HD22 LEU A 39 8.436 -6.118 -1.489 1.00 33.21 H new ATOM 0 HD23 LEU A 39 9.335 -5.305 -2.792 1.00 33.21 H new ATOM 587 N VAL A 40 5.473 -3.889 -6.029 1.00 53.23 N ATOM 588 CA VAL A 40 4.286 -4.081 -6.897 1.00 31.20 C ATOM 589 C VAL A 40 4.705 -4.361 -8.372 1.00 60.01 C ATOM 590 O VAL A 40 5.141 -3.445 -9.081 1.00 44.11 O ATOM 591 CB VAL A 40 3.328 -2.829 -6.826 1.00 64.24 C ATOM 592 CG1 VAL A 40 2.087 -3.000 -7.743 1.00 63.42 C ATOM 593 CG2 VAL A 40 2.911 -2.545 -5.359 1.00 3.02 C ATOM 0 H VAL A 40 5.987 -3.030 -6.226 1.00 53.23 H new ATOM 0 HA VAL A 40 3.745 -4.952 -6.527 1.00 31.20 H new ATOM 0 HB VAL A 40 3.880 -1.966 -7.197 1.00 64.24 H new ATOM 0 HG11 VAL A 40 1.453 -2.117 -7.665 1.00 63.42 H new ATOM 0 HG12 VAL A 40 2.412 -3.124 -8.776 1.00 63.42 H new ATOM 0 HG13 VAL A 40 1.523 -3.880 -7.432 1.00 63.42 H new ATOM 0 HG21 VAL A 40 2.251 -1.678 -5.330 1.00 3.02 H new ATOM 0 HG22 VAL A 40 2.389 -3.412 -4.955 1.00 3.02 H new ATOM 0 HG23 VAL A 40 3.800 -2.344 -4.760 1.00 3.02 H new ATOM 603 N PRO A 41 4.595 -5.647 -8.854 1.00 0.04 N ATOM 604 CA PRO A 41 4.870 -6.013 -10.275 1.00 44.13 C ATOM 605 C PRO A 41 3.785 -5.505 -11.262 1.00 4.14 C ATOM 606 O PRO A 41 4.009 -5.493 -12.479 1.00 14.30 O ATOM 607 CB PRO A 41 4.914 -7.564 -10.233 1.00 22.13 C ATOM 608 CG PRO A 41 4.016 -7.929 -9.092 1.00 21.40 C ATOM 609 CD PRO A 41 4.228 -6.852 -8.050 1.00 23.42 C ATOM 0 HA PRO A 41 5.788 -5.555 -10.643 1.00 44.13 H new ATOM 0 HB2 PRO A 41 4.563 -7.997 -11.170 1.00 22.13 H new ATOM 0 HB3 PRO A 41 5.929 -7.929 -10.073 1.00 22.13 H new ATOM 0 HG2 PRO A 41 2.974 -7.968 -9.410 1.00 21.40 H new ATOM 0 HG3 PRO A 41 4.265 -8.913 -8.696 1.00 21.40 H new ATOM 0 HD2 PRO A 41 3.326 -6.681 -7.462 1.00 23.42 H new ATOM 0 HD3 PRO A 41 5.019 -7.122 -7.350 1.00 23.42 H new ATOM 617 N GLY A 42 2.611 -5.110 -10.717 1.00 15.32 N ATOM 618 CA GLY A 42 1.504 -4.539 -11.501 1.00 3.33 C ATOM 619 C GLY A 42 1.859 -3.252 -12.242 1.00 51.12 C ATOM 620 O GLY A 42 1.244 -2.942 -13.272 1.00 73.10 O ATOM 0 H GLY A 42 2.410 -5.181 -9.720 1.00 15.32 H new ATOM 0 HA2 GLY A 42 1.167 -5.280 -12.225 1.00 3.33 H new ATOM 0 HA3 GLY A 42 0.665 -4.341 -10.833 1.00 3.33 H new ATOM 624 N VAL A 43 2.850 -2.505 -11.707 1.00 3.11 N ATOM 625 CA VAL A 43 3.400 -1.296 -12.360 1.00 21.11 C ATOM 626 C VAL A 43 3.930 -1.637 -13.793 1.00 74.14 C ATOM 627 O VAL A 43 4.764 -2.547 -13.931 1.00 65.54 O ATOM 628 CB VAL A 43 4.564 -0.656 -11.493 1.00 45.23 C ATOM 629 CG1 VAL A 43 5.160 0.611 -12.165 1.00 10.33 C ATOM 630 CG2 VAL A 43 4.080 -0.344 -10.052 1.00 2.14 C ATOM 0 H VAL A 43 3.290 -2.722 -10.813 1.00 3.11 H new ATOM 0 HA VAL A 43 2.592 -0.569 -12.443 1.00 21.11 H new ATOM 0 HB VAL A 43 5.362 -1.396 -11.432 1.00 45.23 H new ATOM 0 HG11 VAL A 43 5.954 1.017 -11.537 1.00 10.33 H new ATOM 0 HG12 VAL A 43 5.568 0.348 -13.141 1.00 10.33 H new ATOM 0 HG13 VAL A 43 4.377 1.359 -12.289 1.00 10.33 H new ATOM 0 HG21 VAL A 43 4.898 0.094 -9.480 1.00 2.14 H new ATOM 0 HG22 VAL A 43 3.248 0.359 -10.092 1.00 2.14 H new ATOM 0 HG23 VAL A 43 3.753 -1.266 -9.570 1.00 2.14 H new ATOM 640 N PRO A 44 3.440 -0.936 -14.876 1.00 25.13 N ATOM 641 CA PRO A 44 3.870 -1.215 -16.279 1.00 5.41 C ATOM 642 C PRO A 44 5.345 -0.807 -16.576 1.00 30.05 C ATOM 643 O PRO A 44 6.094 -0.427 -15.668 1.00 2.44 O ATOM 644 CB PRO A 44 2.855 -0.394 -17.121 1.00 60.44 C ATOM 645 CG PRO A 44 2.455 0.738 -16.223 1.00 42.43 C ATOM 646 CD PRO A 44 2.426 0.163 -14.824 1.00 64.44 C ATOM 0 HA PRO A 44 3.865 -2.281 -16.505 1.00 5.41 H new ATOM 0 HB2 PRO A 44 3.307 -0.029 -18.043 1.00 60.44 H new ATOM 0 HB3 PRO A 44 1.994 -0.999 -17.406 1.00 60.44 H new ATOM 0 HG2 PRO A 44 3.165 1.562 -16.293 1.00 42.43 H new ATOM 0 HG3 PRO A 44 1.479 1.134 -16.504 1.00 42.43 H new ATOM 0 HD2 PRO A 44 2.685 0.913 -14.077 1.00 64.44 H new ATOM 0 HD3 PRO A 44 1.437 -0.216 -14.566 1.00 64.44 H new ATOM 654 N ARG A 45 5.748 -0.915 -17.863 1.00 64.14 N ATOM 655 CA ARG A 45 7.115 -0.563 -18.326 1.00 1.13 C ATOM 656 C ARG A 45 7.427 0.935 -18.057 1.00 73.12 C ATOM 657 O ARG A 45 6.915 1.820 -18.755 1.00 10.43 O ATOM 658 CB ARG A 45 7.268 -0.904 -19.841 1.00 30.51 C ATOM 659 CG ARG A 45 7.087 -2.403 -20.181 1.00 4.33 C ATOM 660 CD ARG A 45 8.159 -3.298 -19.532 1.00 42.50 C ATOM 661 NE ARG A 45 9.514 -3.002 -20.054 1.00 41.33 N ATOM 662 CZ ARG A 45 10.618 -2.915 -19.338 1.00 61.15 C ATOM 663 NH1 ARG A 45 10.596 -2.989 -18.043 1.00 1.42 N ATOM 664 NH2 ARG A 45 11.746 -2.716 -19.936 1.00 14.04 N ATOM 0 H ARG A 45 5.138 -1.248 -18.610 1.00 64.14 H new ATOM 0 HA ARG A 45 7.836 -1.154 -17.762 1.00 1.13 H new ATOM 0 HB2 ARG A 45 6.538 -0.325 -20.407 1.00 30.51 H new ATOM 0 HB3 ARG A 45 8.255 -0.585 -20.175 1.00 30.51 H new ATOM 0 HG2 ARG A 45 6.101 -2.729 -19.851 1.00 4.33 H new ATOM 0 HG3 ARG A 45 7.120 -2.532 -21.263 1.00 4.33 H new ATOM 0 HD2 ARG A 45 8.147 -3.155 -18.452 1.00 42.50 H new ATOM 0 HD3 ARG A 45 7.919 -4.345 -19.717 1.00 42.50 H new ATOM 0 HE ARG A 45 9.601 -2.852 -21.059 1.00 41.33 H new ATOM 0 HH11 ARG A 45 9.710 -3.118 -17.555 1.00 1.42 H new ATOM 0 HH12 ARG A 45 11.465 -2.919 -17.513 1.00 1.42 H new ATOM 0 HH21 ARG A 45 11.776 -2.628 -20.952 1.00 14.04 H new ATOM 0 HH22 ARG A 45 12.606 -2.647 -19.392 1.00 14.04 H new ATOM 678 N GLY A 46 8.241 1.189 -17.009 1.00 40.11 N ATOM 679 CA GLY A 46 8.525 2.551 -16.536 1.00 22.30 C ATOM 680 C GLY A 46 7.268 3.252 -15.996 1.00 41.00 C ATOM 681 O GLY A 46 6.750 2.861 -14.942 1.00 42.05 O ATOM 0 H GLY A 46 8.713 0.459 -16.475 1.00 40.11 H new ATOM 0 HA2 GLY A 46 9.282 2.511 -15.752 1.00 22.30 H new ATOM 0 HA3 GLY A 46 8.943 3.138 -17.354 1.00 22.30 H new ATOM 685 N THR A 47 6.785 4.272 -16.753 1.00 52.12 N ATOM 686 CA THR A 47 5.526 5.023 -16.478 1.00 2.34 C ATOM 687 C THR A 47 5.573 5.833 -15.151 1.00 52.24 C ATOM 688 O THR A 47 5.651 5.263 -14.052 1.00 33.00 O ATOM 689 CB THR A 47 4.261 4.093 -16.489 1.00 13.22 C ATOM 690 OG1 THR A 47 4.192 3.366 -17.725 1.00 21.03 O ATOM 691 CG2 THR A 47 2.946 4.885 -16.300 1.00 2.22 C ATOM 0 H THR A 47 7.267 4.604 -17.588 1.00 52.12 H new ATOM 0 HA THR A 47 5.441 5.736 -17.298 1.00 2.34 H new ATOM 0 HB THR A 47 4.367 3.407 -15.649 1.00 13.22 H new ATOM 0 HG1 THR A 47 3.276 3.046 -17.866 1.00 21.03 H new ATOM 0 HG21 THR A 47 2.101 4.196 -16.315 1.00 2.22 H new ATOM 0 HG22 THR A 47 2.971 5.408 -15.344 1.00 2.22 H new ATOM 0 HG23 THR A 47 2.838 5.609 -17.107 1.00 2.22 H new ATOM 699 N GLN A 48 5.496 7.172 -15.270 1.00 74.30 N ATOM 700 CA GLN A 48 5.513 8.092 -14.120 1.00 65.22 C ATOM 701 C GLN A 48 4.115 8.132 -13.447 1.00 63.33 C ATOM 702 O GLN A 48 3.215 8.855 -13.891 1.00 4.22 O ATOM 703 CB GLN A 48 5.967 9.524 -14.550 1.00 2.43 C ATOM 704 CG GLN A 48 7.425 9.635 -15.088 1.00 12.43 C ATOM 705 CD GLN A 48 7.614 9.307 -16.586 1.00 31.25 C ATOM 706 OE1 GLN A 48 6.883 8.531 -17.187 1.00 23.25 O ATOM 707 NE2 GLN A 48 8.627 9.889 -17.198 1.00 64.25 N ATOM 0 H GLN A 48 5.420 7.646 -16.170 1.00 74.30 H new ATOM 0 HA GLN A 48 6.238 7.722 -13.395 1.00 65.22 H new ATOM 0 HB2 GLN A 48 5.286 9.885 -15.321 1.00 2.43 H new ATOM 0 HB3 GLN A 48 5.863 10.191 -13.694 1.00 2.43 H new ATOM 0 HG2 GLN A 48 7.782 10.649 -14.909 1.00 12.43 H new ATOM 0 HG3 GLN A 48 8.059 8.966 -14.506 1.00 12.43 H new ATOM 0 HE21 GLN A 48 9.229 10.534 -16.687 1.00 64.25 H new ATOM 0 HE22 GLN A 48 8.808 9.694 -18.183 1.00 64.25 H new ATOM 716 N LEU A 49 3.944 7.305 -12.404 1.00 41.20 N ATOM 717 CA LEU A 49 2.678 7.185 -11.649 1.00 52.35 C ATOM 718 C LEU A 49 2.454 8.402 -10.721 1.00 73.24 C ATOM 719 O LEU A 49 3.378 8.822 -10.022 1.00 22.13 O ATOM 720 CB LEU A 49 2.693 5.887 -10.784 1.00 52.04 C ATOM 721 CG LEU A 49 2.947 4.543 -11.536 1.00 24.32 C ATOM 722 CD1 LEU A 49 3.000 3.354 -10.546 1.00 13.02 C ATOM 723 CD2 LEU A 49 1.889 4.308 -12.641 1.00 13.13 C ATOM 0 H LEU A 49 4.683 6.695 -12.055 1.00 41.20 H new ATOM 0 HA LEU A 49 1.866 7.145 -12.375 1.00 52.35 H new ATOM 0 HB2 LEU A 49 3.461 5.998 -10.018 1.00 52.04 H new ATOM 0 HB3 LEU A 49 1.736 5.812 -10.268 1.00 52.04 H new ATOM 0 HG LEU A 49 3.919 4.613 -12.024 1.00 24.32 H new ATOM 0 HD11 LEU A 49 3.178 2.430 -11.096 1.00 13.02 H new ATOM 0 HD12 LEU A 49 3.807 3.512 -9.831 1.00 13.02 H new ATOM 0 HD13 LEU A 49 2.052 3.282 -10.013 1.00 13.02 H new ATOM 0 HD21 LEU A 49 2.094 3.364 -13.146 1.00 13.13 H new ATOM 0 HD22 LEU A 49 0.896 4.272 -12.192 1.00 13.13 H new ATOM 0 HD23 LEU A 49 1.931 5.123 -13.364 1.00 13.13 H new ATOM 735 N SER A 50 1.228 8.952 -10.714 1.00 44.11 N ATOM 736 CA SER A 50 0.796 9.948 -9.696 1.00 13.44 C ATOM 737 C SER A 50 0.762 9.292 -8.295 1.00 14.32 C ATOM 738 O SER A 50 0.633 8.067 -8.188 1.00 33.43 O ATOM 739 CB SER A 50 -0.599 10.522 -10.044 1.00 15.52 C ATOM 740 OG SER A 50 -1.086 11.398 -9.030 1.00 35.44 O ATOM 0 H SER A 50 0.509 8.728 -11.402 1.00 44.11 H new ATOM 0 HA SER A 50 1.514 10.768 -9.692 1.00 13.44 H new ATOM 0 HB2 SER A 50 -0.544 11.059 -10.991 1.00 15.52 H new ATOM 0 HB3 SER A 50 -1.304 9.702 -10.183 1.00 15.52 H new ATOM 0 HG SER A 50 -1.967 11.740 -9.289 1.00 35.44 H new ATOM 746 N GLN A 51 0.861 10.107 -7.228 1.00 51.11 N ATOM 747 CA GLN A 51 0.935 9.600 -5.833 1.00 65.55 C ATOM 748 C GLN A 51 -0.340 8.796 -5.432 1.00 3.05 C ATOM 749 O GLN A 51 -0.280 7.877 -4.602 1.00 74.45 O ATOM 750 CB GLN A 51 1.209 10.782 -4.860 1.00 4.12 C ATOM 751 CG GLN A 51 1.453 10.367 -3.398 1.00 5.22 C ATOM 752 CD GLN A 51 1.955 11.503 -2.502 1.00 0.24 C ATOM 753 OE1 GLN A 51 3.159 11.693 -2.337 1.00 24.24 O ATOM 754 NE2 GLN A 51 1.046 12.276 -1.935 1.00 1.41 N ATOM 0 H GLN A 51 0.892 11.124 -7.300 1.00 51.11 H new ATOM 0 HA GLN A 51 1.765 8.897 -5.766 1.00 65.55 H new ATOM 0 HB2 GLN A 51 2.078 11.335 -5.217 1.00 4.12 H new ATOM 0 HB3 GLN A 51 0.361 11.466 -4.893 1.00 4.12 H new ATOM 0 HG2 GLN A 51 0.525 9.974 -2.983 1.00 5.22 H new ATOM 0 HG3 GLN A 51 2.180 9.555 -3.378 1.00 5.22 H new ATOM 0 HE21 GLN A 51 0.054 12.095 -2.090 1.00 1.41 H new ATOM 0 HE22 GLN A 51 1.336 13.054 -1.343 1.00 1.41 H new ATOM 763 N VAL A 52 -1.486 9.137 -6.057 1.00 65.15 N ATOM 764 CA VAL A 52 -2.741 8.360 -5.922 1.00 73.50 C ATOM 765 C VAL A 52 -2.636 7.015 -6.685 1.00 4.45 C ATOM 766 O VAL A 52 -2.972 5.962 -6.135 1.00 3.21 O ATOM 767 CB VAL A 52 -3.999 9.155 -6.447 1.00 0.40 C ATOM 768 CG1 VAL A 52 -5.311 8.404 -6.108 1.00 65.44 C ATOM 769 CG2 VAL A 52 -4.025 10.588 -5.883 1.00 35.40 C ATOM 0 H VAL A 52 -1.570 9.951 -6.665 1.00 65.15 H new ATOM 0 HA VAL A 52 -2.877 8.174 -4.857 1.00 73.50 H new ATOM 0 HB VAL A 52 -3.920 9.224 -7.532 1.00 0.40 H new ATOM 0 HG11 VAL A 52 -6.163 8.973 -6.481 1.00 65.44 H new ATOM 0 HG12 VAL A 52 -5.299 7.420 -6.577 1.00 65.44 H new ATOM 0 HG13 VAL A 52 -5.396 8.290 -5.027 1.00 65.44 H new ATOM 0 HG21 VAL A 52 -4.903 11.112 -6.262 1.00 35.40 H new ATOM 0 HG22 VAL A 52 -4.067 10.550 -4.794 1.00 35.40 H new ATOM 0 HG23 VAL A 52 -3.124 11.118 -6.193 1.00 35.40 H new ATOM 779 N GLU A 53 -2.151 7.075 -7.954 1.00 52.22 N ATOM 780 CA GLU A 53 -1.966 5.876 -8.818 1.00 22.31 C ATOM 781 C GLU A 53 -1.070 4.812 -8.144 1.00 51.23 C ATOM 782 O GLU A 53 -1.284 3.622 -8.335 1.00 50.44 O ATOM 783 CB GLU A 53 -1.356 6.247 -10.199 1.00 20.23 C ATOM 784 CG GLU A 53 -2.233 7.159 -11.081 1.00 63.24 C ATOM 785 CD GLU A 53 -1.633 7.390 -12.484 1.00 4.04 C ATOM 786 OE1 GLU A 53 -1.772 6.507 -13.355 1.00 51.43 O ATOM 787 OE2 GLU A 53 -1.007 8.443 -12.718 1.00 60.12 O ATOM 0 H GLU A 53 -1.879 7.949 -8.405 1.00 52.22 H new ATOM 0 HA GLU A 53 -2.962 5.459 -8.968 1.00 22.31 H new ATOM 0 HB2 GLU A 53 -0.398 6.740 -10.034 1.00 20.23 H new ATOM 0 HB3 GLU A 53 -1.151 5.327 -10.747 1.00 20.23 H new ATOM 0 HG2 GLU A 53 -3.223 6.715 -11.183 1.00 63.24 H new ATOM 0 HG3 GLU A 53 -2.364 8.120 -10.584 1.00 63.24 H new ATOM 794 N ILE A 54 -0.071 5.269 -7.367 1.00 24.44 N ATOM 795 CA ILE A 54 0.826 4.385 -6.593 1.00 74.42 C ATOM 796 C ILE A 54 0.017 3.518 -5.582 1.00 73.20 C ATOM 797 O ILE A 54 0.156 2.293 -5.571 1.00 43.54 O ATOM 798 CB ILE A 54 1.939 5.218 -5.849 1.00 74.31 C ATOM 799 CG1 ILE A 54 2.842 5.994 -6.873 1.00 22.32 C ATOM 800 CG2 ILE A 54 2.797 4.316 -4.926 1.00 63.42 C ATOM 801 CD1 ILE A 54 3.897 6.900 -6.245 1.00 51.22 C ATOM 0 H ILE A 54 0.139 6.261 -7.257 1.00 24.44 H new ATOM 0 HA ILE A 54 1.320 3.714 -7.296 1.00 74.42 H new ATOM 0 HB ILE A 54 1.435 5.952 -5.220 1.00 74.31 H new ATOM 0 HG12 ILE A 54 3.343 5.269 -7.515 1.00 22.32 H new ATOM 0 HG13 ILE A 54 2.201 6.599 -7.514 1.00 22.32 H new ATOM 0 HG21 ILE A 54 3.555 4.921 -4.428 1.00 63.42 H new ATOM 0 HG22 ILE A 54 2.157 3.848 -4.178 1.00 63.42 H new ATOM 0 HG23 ILE A 54 3.283 3.544 -5.522 1.00 63.42 H new ATOM 0 HD11 ILE A 54 4.469 7.392 -7.032 1.00 51.22 H new ATOM 0 HD12 ILE A 54 3.408 7.653 -5.627 1.00 51.22 H new ATOM 0 HD13 ILE A 54 4.568 6.303 -5.627 1.00 51.22 H new ATOM 813 N LEU A 55 -0.857 4.172 -4.782 1.00 11.42 N ATOM 814 CA LEU A 55 -1.779 3.479 -3.840 1.00 14.04 C ATOM 815 C LEU A 55 -2.693 2.470 -4.574 1.00 12.33 C ATOM 816 O LEU A 55 -2.860 1.343 -4.127 1.00 51.31 O ATOM 817 CB LEU A 55 -2.669 4.503 -3.075 1.00 62.22 C ATOM 818 CG LEU A 55 -1.938 5.479 -2.104 1.00 10.02 C ATOM 819 CD1 LEU A 55 -2.935 6.459 -1.435 1.00 34.14 C ATOM 820 CD2 LEU A 55 -1.119 4.703 -1.041 1.00 5.32 C ATOM 0 H LEU A 55 -0.946 5.188 -4.768 1.00 11.42 H new ATOM 0 HA LEU A 55 -1.153 2.937 -3.131 1.00 14.04 H new ATOM 0 HB2 LEU A 55 -3.212 5.098 -3.810 1.00 62.22 H new ATOM 0 HB3 LEU A 55 -3.412 3.947 -2.503 1.00 62.22 H new ATOM 0 HG LEU A 55 -1.239 6.071 -2.696 1.00 10.02 H new ATOM 0 HD11 LEU A 55 -2.394 7.126 -0.764 1.00 34.14 H new ATOM 0 HD12 LEU A 55 -3.438 7.046 -2.203 1.00 34.14 H new ATOM 0 HD13 LEU A 55 -3.674 5.894 -0.867 1.00 34.14 H new ATOM 0 HD21 LEU A 55 -0.620 5.410 -0.378 1.00 5.32 H new ATOM 0 HD22 LEU A 55 -1.787 4.069 -0.458 1.00 5.32 H new ATOM 0 HD23 LEU A 55 -0.373 4.083 -1.538 1.00 5.32 H new ATOM 832 N GLN A 56 -3.259 2.912 -5.710 1.00 42.13 N ATOM 833 CA GLN A 56 -4.201 2.118 -6.534 1.00 72.14 C ATOM 834 C GLN A 56 -3.520 0.874 -7.165 1.00 35.20 C ATOM 835 O GLN A 56 -4.151 -0.171 -7.327 1.00 33.22 O ATOM 836 CB GLN A 56 -4.831 3.038 -7.609 1.00 23.52 C ATOM 837 CG GLN A 56 -5.608 4.237 -7.013 1.00 71.35 C ATOM 838 CD GLN A 56 -6.100 5.258 -8.045 1.00 0.32 C ATOM 839 OE1 GLN A 56 -5.503 5.449 -9.100 1.00 14.44 O ATOM 840 NE2 GLN A 56 -7.180 5.947 -7.732 1.00 32.25 N ATOM 0 H GLN A 56 -3.076 3.841 -6.091 1.00 42.13 H new ATOM 0 HA GLN A 56 -4.990 1.730 -5.890 1.00 72.14 H new ATOM 0 HB2 GLN A 56 -4.043 3.414 -8.262 1.00 23.52 H new ATOM 0 HB3 GLN A 56 -5.506 2.449 -8.230 1.00 23.52 H new ATOM 0 HG2 GLN A 56 -6.467 3.857 -6.460 1.00 71.35 H new ATOM 0 HG3 GLN A 56 -4.966 4.747 -6.294 1.00 71.35 H new ATOM 0 HE21 GLN A 56 -7.659 5.771 -6.849 1.00 32.25 H new ATOM 0 HE22 GLN A 56 -7.536 6.656 -8.373 1.00 32.25 H new ATOM 849 N ARG A 57 -2.226 1.005 -7.523 1.00 52.24 N ATOM 850 CA ARG A 57 -1.393 -0.128 -7.994 1.00 63.00 C ATOM 851 C ARG A 57 -1.182 -1.168 -6.869 1.00 51.44 C ATOM 852 O ARG A 57 -1.179 -2.371 -7.136 1.00 50.51 O ATOM 853 CB ARG A 57 -0.023 0.384 -8.576 1.00 5.24 C ATOM 854 CG ARG A 57 0.042 0.564 -10.125 1.00 14.11 C ATOM 855 CD ARG A 57 -0.941 1.612 -10.716 1.00 35.10 C ATOM 856 NE ARG A 57 -2.355 1.195 -10.623 1.00 44.12 N ATOM 857 CZ ARG A 57 -3.406 1.951 -10.871 1.00 14.13 C ATOM 858 NH1 ARG A 57 -3.282 3.160 -11.323 1.00 40.24 N ATOM 859 NH2 ARG A 57 -4.592 1.465 -10.679 1.00 24.24 N ATOM 0 H ARG A 57 -1.728 1.895 -7.495 1.00 52.24 H new ATOM 0 HA ARG A 57 -1.926 -0.627 -8.803 1.00 63.00 H new ATOM 0 HB2 ARG A 57 0.211 1.341 -8.110 1.00 5.24 H new ATOM 0 HB3 ARG A 57 0.758 -0.315 -8.279 1.00 5.24 H new ATOM 0 HG2 ARG A 57 1.058 0.849 -10.398 1.00 14.11 H new ATOM 0 HG3 ARG A 57 -0.156 -0.400 -10.594 1.00 14.11 H new ATOM 0 HD2 ARG A 57 -0.812 2.559 -10.192 1.00 35.10 H new ATOM 0 HD3 ARG A 57 -0.688 1.790 -11.761 1.00 35.10 H new ATOM 0 HE ARG A 57 -2.535 0.232 -10.340 1.00 44.12 H new ATOM 0 HH11 ARG A 57 -2.354 3.547 -11.495 1.00 40.24 H new ATOM 0 HH12 ARG A 57 -4.112 3.724 -11.506 1.00 40.24 H new ATOM 0 HH21 ARG A 57 -4.703 0.509 -10.340 1.00 24.24 H new ATOM 0 HH22 ARG A 57 -5.415 2.038 -10.867 1.00 24.24 H new ATOM 873 N VAL A 58 -1.020 -0.683 -5.616 1.00 53.24 N ATOM 874 CA VAL A 58 -0.920 -1.552 -4.414 1.00 64.50 C ATOM 875 C VAL A 58 -2.266 -2.270 -4.124 1.00 41.23 C ATOM 876 O VAL A 58 -2.273 -3.445 -3.748 1.00 41.51 O ATOM 877 CB VAL A 58 -0.467 -0.744 -3.140 1.00 74.55 C ATOM 878 CG1 VAL A 58 -0.329 -1.664 -1.904 1.00 33.30 C ATOM 879 CG2 VAL A 58 0.848 0.022 -3.402 1.00 61.02 C ATOM 0 H VAL A 58 -0.955 0.313 -5.408 1.00 53.24 H new ATOM 0 HA VAL A 58 -0.159 -2.300 -4.634 1.00 64.50 H new ATOM 0 HB VAL A 58 -1.247 -0.014 -2.926 1.00 74.55 H new ATOM 0 HG11 VAL A 58 -0.015 -1.073 -1.044 1.00 33.30 H new ATOM 0 HG12 VAL A 58 -1.289 -2.133 -1.691 1.00 33.30 H new ATOM 0 HG13 VAL A 58 0.415 -2.435 -2.105 1.00 33.30 H new ATOM 0 HG21 VAL A 58 1.135 0.570 -2.504 1.00 61.02 H new ATOM 0 HG22 VAL A 58 1.635 -0.685 -3.663 1.00 61.02 H new ATOM 0 HG23 VAL A 58 0.703 0.723 -4.224 1.00 61.02 H new ATOM 889 N ILE A 59 -3.396 -1.550 -4.300 1.00 41.34 N ATOM 890 CA ILE A 59 -4.756 -2.117 -4.110 1.00 24.22 C ATOM 891 C ILE A 59 -4.973 -3.332 -5.056 1.00 75.44 C ATOM 892 O ILE A 59 -5.222 -4.446 -4.591 1.00 21.43 O ATOM 893 CB ILE A 59 -5.883 -1.030 -4.339 1.00 51.44 C ATOM 894 CG1 ILE A 59 -5.724 0.160 -3.333 1.00 45.20 C ATOM 895 CG2 ILE A 59 -7.305 -1.646 -4.225 1.00 23.13 C ATOM 896 CD1 ILE A 59 -6.651 1.339 -3.591 1.00 42.44 C ATOM 0 H ILE A 59 -3.396 -0.568 -4.575 1.00 41.34 H new ATOM 0 HA ILE A 59 -4.831 -2.454 -3.076 1.00 24.22 H new ATOM 0 HB ILE A 59 -5.763 -0.649 -5.353 1.00 51.44 H new ATOM 0 HG12 ILE A 59 -5.901 -0.210 -2.323 1.00 45.20 H new ATOM 0 HG13 ILE A 59 -4.693 0.512 -3.367 1.00 45.20 H new ATOM 0 HG21 ILE A 59 -8.052 -0.869 -4.388 1.00 23.13 H new ATOM 0 HG22 ILE A 59 -7.424 -2.428 -4.975 1.00 23.13 H new ATOM 0 HG23 ILE A 59 -7.438 -2.074 -3.231 1.00 23.13 H new ATOM 0 HD11 ILE A 59 -6.470 2.114 -2.846 1.00 42.44 H new ATOM 0 HD12 ILE A 59 -6.461 1.741 -4.586 1.00 42.44 H new ATOM 0 HD13 ILE A 59 -7.687 1.008 -3.526 1.00 42.44 H new ATOM 908 N ASP A 60 -4.815 -3.098 -6.375 1.00 23.11 N ATOM 909 CA ASP A 60 -4.945 -4.152 -7.412 1.00 73.31 C ATOM 910 C ASP A 60 -3.872 -5.262 -7.273 1.00 50.43 C ATOM 911 O ASP A 60 -4.110 -6.399 -7.683 1.00 44.14 O ATOM 912 CB ASP A 60 -4.889 -3.526 -8.825 1.00 22.24 C ATOM 913 CG ASP A 60 -6.093 -2.623 -9.131 1.00 20.02 C ATOM 914 OD1 ASP A 60 -7.224 -3.147 -9.201 1.00 4.45 O ATOM 915 OD2 ASP A 60 -5.916 -1.396 -9.313 1.00 23.05 O ATOM 0 H ASP A 60 -4.594 -2.177 -6.754 1.00 23.11 H new ATOM 0 HA ASP A 60 -5.915 -4.626 -7.263 1.00 73.31 H new ATOM 0 HB2 ASP A 60 -3.972 -2.945 -8.922 1.00 22.24 H new ATOM 0 HB3 ASP A 60 -4.842 -4.323 -9.567 1.00 22.24 H new ATOM 920 N TYR A 61 -2.699 -4.919 -6.708 1.00 20.01 N ATOM 921 CA TYR A 61 -1.634 -5.896 -6.382 1.00 22.32 C ATOM 922 C TYR A 61 -2.127 -6.947 -5.352 1.00 53.41 C ATOM 923 O TYR A 61 -2.065 -8.153 -5.605 1.00 70.24 O ATOM 924 CB TYR A 61 -0.365 -5.149 -5.862 1.00 71.15 C ATOM 925 CG TYR A 61 0.647 -6.015 -5.090 1.00 73.23 C ATOM 926 CD1 TYR A 61 1.388 -7.001 -5.734 1.00 52.22 C ATOM 927 CD2 TYR A 61 0.801 -5.884 -3.708 1.00 12.12 C ATOM 928 CE1 TYR A 61 2.255 -7.806 -5.038 1.00 70.34 C ATOM 929 CE2 TYR A 61 1.676 -6.680 -3.018 1.00 64.55 C ATOM 930 CZ TYR A 61 2.385 -7.650 -3.683 1.00 43.30 C ATOM 931 OH TYR A 61 3.219 -8.477 -2.986 1.00 41.01 O ATOM 0 H TYR A 61 -2.460 -3.958 -6.463 1.00 20.01 H new ATOM 0 HA TYR A 61 -1.372 -6.436 -7.292 1.00 22.32 H new ATOM 0 HB2 TYR A 61 0.144 -4.699 -6.714 1.00 71.15 H new ATOM 0 HB3 TYR A 61 -0.686 -4.333 -5.215 1.00 71.15 H new ATOM 0 HD1 TYR A 61 1.279 -7.135 -6.800 1.00 52.22 H new ATOM 0 HD2 TYR A 61 0.222 -5.144 -3.176 1.00 12.12 H new ATOM 0 HE1 TYR A 61 2.832 -8.558 -5.556 1.00 70.34 H new ATOM 0 HE2 TYR A 61 1.808 -6.545 -1.955 1.00 64.55 H new ATOM 0 HH TYR A 61 3.025 -9.409 -3.218 1.00 41.01 H new ATOM 941 N ILE A 62 -2.620 -6.466 -4.195 1.00 4.35 N ATOM 942 CA ILE A 62 -3.068 -7.345 -3.088 1.00 52.14 C ATOM 943 C ILE A 62 -4.360 -8.129 -3.485 1.00 21.32 C ATOM 944 O ILE A 62 -4.577 -9.268 -3.040 1.00 52.51 O ATOM 945 CB ILE A 62 -3.288 -6.521 -1.756 1.00 31.23 C ATOM 946 CG1 ILE A 62 -2.034 -5.639 -1.416 1.00 73.32 C ATOM 947 CG2 ILE A 62 -3.617 -7.462 -0.572 1.00 71.20 C ATOM 948 CD1 ILE A 62 -2.211 -4.691 -0.231 1.00 50.14 C ATOM 0 H ILE A 62 -2.720 -5.470 -3.998 1.00 4.35 H new ATOM 0 HA ILE A 62 -2.279 -8.073 -2.900 1.00 52.14 H new ATOM 0 HB ILE A 62 -4.137 -5.857 -1.919 1.00 31.23 H new ATOM 0 HG12 ILE A 62 -1.190 -6.298 -1.211 1.00 73.32 H new ATOM 0 HG13 ILE A 62 -1.773 -5.051 -2.296 1.00 73.32 H new ATOM 0 HG21 ILE A 62 -3.764 -6.871 0.332 1.00 71.20 H new ATOM 0 HG22 ILE A 62 -4.527 -8.020 -0.793 1.00 71.20 H new ATOM 0 HG23 ILE A 62 -2.792 -8.158 -0.421 1.00 71.20 H new ATOM 0 HD11 ILE A 62 -1.292 -4.126 -0.076 1.00 50.14 H new ATOM 0 HD12 ILE A 62 -3.030 -4.002 -0.436 1.00 50.14 H new ATOM 0 HD13 ILE A 62 -2.438 -5.268 0.666 1.00 50.14 H new ATOM 960 N LEU A 63 -5.200 -7.503 -4.338 1.00 15.02 N ATOM 961 CA LEU A 63 -6.358 -8.170 -4.979 1.00 70.25 C ATOM 962 C LEU A 63 -5.906 -9.325 -5.910 1.00 64.11 C ATOM 963 O LEU A 63 -6.495 -10.391 -5.899 1.00 43.12 O ATOM 964 CB LEU A 63 -7.207 -7.142 -5.783 1.00 43.40 C ATOM 965 CG LEU A 63 -7.965 -6.069 -4.936 1.00 71.41 C ATOM 966 CD1 LEU A 63 -8.628 -5.006 -5.842 1.00 62.00 C ATOM 967 CD2 LEU A 63 -9.001 -6.729 -3.993 1.00 0.22 C ATOM 0 H LEU A 63 -5.096 -6.523 -4.602 1.00 15.02 H new ATOM 0 HA LEU A 63 -6.971 -8.595 -4.184 1.00 70.25 H new ATOM 0 HB2 LEU A 63 -6.550 -6.626 -6.483 1.00 43.40 H new ATOM 0 HB3 LEU A 63 -7.938 -7.690 -6.377 1.00 43.40 H new ATOM 0 HG LEU A 63 -7.230 -5.559 -4.313 1.00 71.41 H new ATOM 0 HD11 LEU A 63 -9.147 -4.274 -5.224 1.00 62.00 H new ATOM 0 HD12 LEU A 63 -7.863 -4.504 -6.434 1.00 62.00 H new ATOM 0 HD13 LEU A 63 -9.342 -5.490 -6.508 1.00 62.00 H new ATOM 0 HD21 LEU A 63 -9.512 -5.958 -3.417 1.00 0.22 H new ATOM 0 HD22 LEU A 63 -9.730 -7.283 -4.584 1.00 0.22 H new ATOM 0 HD23 LEU A 63 -8.491 -7.411 -3.313 1.00 0.22 H new ATOM 979 N ASP A 64 -4.845 -9.085 -6.698 1.00 50.34 N ATOM 980 CA ASP A 64 -4.282 -10.085 -7.637 1.00 30.33 C ATOM 981 C ASP A 64 -3.731 -11.334 -6.890 1.00 15.12 C ATOM 982 O ASP A 64 -3.855 -12.463 -7.379 1.00 74.41 O ATOM 983 CB ASP A 64 -3.176 -9.417 -8.495 1.00 54.01 C ATOM 984 CG ASP A 64 -2.552 -10.356 -9.538 1.00 24.15 C ATOM 985 OD1 ASP A 64 -3.249 -10.720 -10.510 1.00 23.51 O ATOM 986 OD2 ASP A 64 -1.386 -10.770 -9.368 1.00 34.54 O ATOM 0 H ASP A 64 -4.349 -8.194 -6.706 1.00 50.34 H new ATOM 0 HA ASP A 64 -5.082 -10.437 -8.289 1.00 30.33 H new ATOM 0 HB2 ASP A 64 -3.598 -8.551 -9.005 1.00 54.01 H new ATOM 0 HB3 ASP A 64 -2.391 -9.048 -7.836 1.00 54.01 H new ATOM 991 N LEU A 65 -3.134 -11.110 -5.705 1.00 52.45 N ATOM 992 CA LEU A 65 -2.575 -12.193 -4.860 1.00 32.51 C ATOM 993 C LEU A 65 -3.671 -13.164 -4.350 1.00 22.32 C ATOM 994 O LEU A 65 -3.524 -14.390 -4.418 1.00 65.50 O ATOM 995 CB LEU A 65 -1.826 -11.587 -3.642 1.00 74.02 C ATOM 996 CG LEU A 65 -0.632 -10.636 -3.956 1.00 40.42 C ATOM 997 CD1 LEU A 65 0.018 -10.129 -2.650 1.00 31.50 C ATOM 998 CD2 LEU A 65 0.404 -11.314 -4.889 1.00 62.41 C ATOM 0 H LEU A 65 -3.023 -10.179 -5.303 1.00 52.45 H new ATOM 0 HA LEU A 65 -1.884 -12.760 -5.484 1.00 32.51 H new ATOM 0 HB2 LEU A 65 -2.548 -11.038 -3.037 1.00 74.02 H new ATOM 0 HB3 LEU A 65 -1.455 -12.408 -3.028 1.00 74.02 H new ATOM 0 HG LEU A 65 -1.021 -9.770 -4.492 1.00 40.42 H new ATOM 0 HD11 LEU A 65 0.849 -9.467 -2.891 1.00 31.50 H new ATOM 0 HD12 LEU A 65 -0.722 -9.584 -2.063 1.00 31.50 H new ATOM 0 HD13 LEU A 65 0.386 -10.978 -2.073 1.00 31.50 H new ATOM 0 HD21 LEU A 65 1.223 -10.622 -5.087 1.00 62.41 H new ATOM 0 HD22 LEU A 65 0.795 -12.211 -4.408 1.00 62.41 H new ATOM 0 HD23 LEU A 65 -0.076 -11.586 -5.829 1.00 62.41 H new ATOM 1010 N GLN A 66 -4.763 -12.580 -3.836 1.00 14.23 N ATOM 1011 CA GLN A 66 -5.807 -13.325 -3.081 1.00 12.21 C ATOM 1012 C GLN A 66 -7.075 -13.593 -3.929 1.00 50.21 C ATOM 1013 O GLN A 66 -7.508 -14.744 -4.064 1.00 23.44 O ATOM 1014 CB GLN A 66 -6.157 -12.524 -1.797 1.00 15.41 C ATOM 1015 CG GLN A 66 -4.935 -12.202 -0.906 1.00 44.14 C ATOM 1016 CD GLN A 66 -5.289 -11.418 0.360 1.00 53.33 C ATOM 1017 OE1 GLN A 66 -5.551 -11.991 1.413 1.00 54.02 O ATOM 1018 NE2 GLN A 66 -5.317 -10.105 0.265 1.00 32.30 N ATOM 0 H GLN A 66 -4.956 -11.583 -3.926 1.00 14.23 H new ATOM 0 HA GLN A 66 -5.409 -14.305 -2.816 1.00 12.21 H new ATOM 0 HB2 GLN A 66 -6.641 -11.590 -2.084 1.00 15.41 H new ATOM 0 HB3 GLN A 66 -6.881 -13.092 -1.212 1.00 15.41 H new ATOM 0 HG2 GLN A 66 -4.448 -13.135 -0.621 1.00 44.14 H new ATOM 0 HG3 GLN A 66 -4.213 -11.629 -1.488 1.00 44.14 H new ATOM 0 HE21 GLN A 66 -5.095 -9.653 -0.622 1.00 32.30 H new ATOM 0 HE22 GLN A 66 -5.561 -9.540 1.078 1.00 32.30 H new ATOM 1431 N ASP B 27 -11.660 13.520 -0.680 1.00 34.54 N ATOM 1432 CA ASP B 27 -10.377 12.858 -0.384 1.00 1.24 C ATOM 1433 C ASP B 27 -10.280 11.466 -1.042 1.00 44.15 C ATOM 1434 O ASP B 27 -10.427 10.430 -0.383 1.00 63.24 O ATOM 1435 CB ASP B 27 -10.118 12.811 1.147 1.00 10.14 C ATOM 1436 CG ASP B 27 -10.095 14.203 1.792 1.00 14.31 C ATOM 1437 OD1 ASP B 27 -11.169 14.813 1.933 1.00 54.22 O ATOM 1438 OD2 ASP B 27 -9.005 14.706 2.137 1.00 74.43 O ATOM 0 HA ASP B 27 -9.582 13.457 -0.828 1.00 1.24 H new ATOM 0 HB2 ASP B 27 -10.892 12.208 1.623 1.00 10.14 H new ATOM 0 HB3 ASP B 27 -9.166 12.314 1.334 1.00 10.14 H new ATOM 1443 N ASP B 28 -10.052 11.483 -2.369 1.00 3.25 N ATOM 1444 CA ASP B 28 -9.895 10.270 -3.202 1.00 1.54 C ATOM 1445 C ASP B 28 -8.794 9.331 -2.638 1.00 15.04 C ATOM 1446 O ASP B 28 -8.939 8.101 -2.647 1.00 13.43 O ATOM 1447 CB ASP B 28 -9.561 10.698 -4.658 1.00 41.01 C ATOM 1448 CG ASP B 28 -9.687 9.547 -5.671 1.00 14.11 C ATOM 1449 OD1 ASP B 28 -8.707 8.799 -5.881 1.00 63.32 O ATOM 1450 OD2 ASP B 28 -10.778 9.377 -6.254 1.00 40.04 O ATOM 0 H ASP B 28 -9.970 12.349 -2.902 1.00 3.25 H new ATOM 0 HA ASP B 28 -10.830 9.709 -3.190 1.00 1.54 H new ATOM 0 HB2 ASP B 28 -10.227 11.508 -4.954 1.00 41.01 H new ATOM 0 HB3 ASP B 28 -8.545 11.092 -4.690 1.00 41.01 H new ATOM 1455 N MET B 29 -7.711 9.948 -2.127 1.00 1.20 N ATOM 1456 CA MET B 29 -6.582 9.229 -1.509 1.00 31.23 C ATOM 1457 C MET B 29 -7.000 8.502 -0.207 1.00 13.23 C ATOM 1458 O MET B 29 -6.516 7.409 0.062 1.00 22.33 O ATOM 1459 CB MET B 29 -5.411 10.194 -1.195 1.00 34.15 C ATOM 1460 CG MET B 29 -4.910 11.007 -2.395 1.00 73.12 C ATOM 1461 SD MET B 29 -3.254 11.688 -2.128 1.00 74.42 S ATOM 1462 CE MET B 29 -2.256 10.193 -2.131 1.00 4.33 C ATOM 0 H MET B 29 -7.595 10.961 -2.132 1.00 1.20 H new ATOM 0 HA MET B 29 -6.256 8.484 -2.235 1.00 31.23 H new ATOM 0 HB2 MET B 29 -5.727 10.884 -0.413 1.00 34.15 H new ATOM 0 HB3 MET B 29 -4.579 9.615 -0.793 1.00 34.15 H new ATOM 0 HG2 MET B 29 -4.900 10.372 -3.281 1.00 73.12 H new ATOM 0 HG3 MET B 29 -5.607 11.821 -2.594 1.00 73.12 H new ATOM 0 HE1 MET B 29 -1.571 10.211 -1.283 1.00 4.33 H new ATOM 0 HE2 MET B 29 -2.906 9.321 -2.054 1.00 4.33 H new ATOM 0 HE3 MET B 29 -1.685 10.139 -3.058 1.00 4.33 H new ATOM 1472 N ASN B 30 -7.899 9.133 0.587 1.00 71.53 N ATOM 1473 CA ASN B 30 -8.404 8.561 1.867 1.00 52.14 C ATOM 1474 C ASN B 30 -9.230 7.276 1.610 1.00 31.54 C ATOM 1475 O ASN B 30 -9.179 6.329 2.400 1.00 53.45 O ATOM 1476 CB ASN B 30 -9.246 9.621 2.627 1.00 73.42 C ATOM 1477 CG ASN B 30 -9.792 9.138 3.977 1.00 64.42 C ATOM 1478 OD1 ASN B 30 -9.132 9.256 5.006 1.00 13.35 O ATOM 1479 ND2 ASN B 30 -10.999 8.596 3.986 1.00 1.30 N ATOM 0 H ASN B 30 -8.294 10.046 0.364 1.00 71.53 H new ATOM 0 HA ASN B 30 -7.551 8.286 2.487 1.00 52.14 H new ATOM 0 HB2 ASN B 30 -8.632 10.507 2.791 1.00 73.42 H new ATOM 0 HB3 ASN B 30 -10.082 9.925 1.997 1.00 73.42 H new ATOM 0 HD21 ASN B 30 -11.403 8.264 4.862 1.00 1.30 H new ATOM 0 HD22 ASN B 30 -11.526 8.510 3.117 1.00 1.30 H new ATOM 1486 N HIS B 31 -9.983 7.268 0.494 1.00 30.42 N ATOM 1487 CA HIS B 31 -10.727 6.069 0.030 1.00 21.21 C ATOM 1488 C HIS B 31 -9.751 4.936 -0.384 1.00 33.23 C ATOM 1489 O HIS B 31 -10.016 3.757 -0.136 1.00 23.44 O ATOM 1490 CB HIS B 31 -11.682 6.433 -1.135 1.00 52.44 C ATOM 1491 CG HIS B 31 -12.758 7.415 -0.742 1.00 32.42 C ATOM 1492 ND1 HIS B 31 -13.779 7.060 0.109 1.00 20.33 N ATOM 1493 CD2 HIS B 31 -12.903 8.714 -1.072 1.00 73.01 C ATOM 1494 CE1 HIS B 31 -14.506 8.147 0.275 1.00 65.43 C ATOM 1495 NE2 HIS B 31 -14.016 9.174 -0.424 1.00 1.15 N ATOM 0 H HIS B 31 -10.096 8.082 -0.111 1.00 30.42 H new ATOM 0 HA HIS B 31 -11.331 5.702 0.860 1.00 21.21 H new ATOM 0 HB2 HIS B 31 -11.099 6.852 -1.955 1.00 52.44 H new ATOM 0 HB3 HIS B 31 -12.150 5.523 -1.509 1.00 52.44 H new ATOM 0 HD2 HIS B 31 -12.260 9.285 -1.726 1.00 73.01 H new ATOM 0 HE1 HIS B 31 -15.387 8.200 0.898 1.00 65.43 H new ATOM 0 HE2 HIS B 31 -14.398 10.119 -0.466 1.00 1.15 H new ATOM 1503 N CYS B 32 -8.615 5.320 -1.005 1.00 52.21 N ATOM 1504 CA CYS B 32 -7.518 4.375 -1.349 1.00 51.33 C ATOM 1505 C CYS B 32 -6.808 3.818 -0.077 1.00 74.41 C ATOM 1506 O CYS B 32 -6.441 2.642 -0.033 1.00 75.22 O ATOM 1507 CB CYS B 32 -6.495 5.056 -2.295 1.00 1.32 C ATOM 1508 SG CYS B 32 -7.182 5.547 -3.901 1.00 54.13 S ATOM 0 H CYS B 32 -8.428 6.284 -1.282 1.00 52.21 H new ATOM 0 HA CYS B 32 -7.965 3.526 -1.866 1.00 51.33 H new ATOM 0 HB2 CYS B 32 -6.091 5.939 -1.800 1.00 1.32 H new ATOM 0 HB3 CYS B 32 -5.661 4.374 -2.462 1.00 1.32 H new ATOM 0 HG CYS B 32 -7.976 6.564 -3.741 1.00 54.13 H new ATOM 1514 N TYR B 33 -6.644 4.684 0.951 1.00 74.42 N ATOM 1515 CA TYR B 33 -6.076 4.303 2.278 1.00 5.43 C ATOM 1516 C TYR B 33 -7.002 3.328 3.040 1.00 33.43 C ATOM 1517 O TYR B 33 -6.525 2.455 3.777 1.00 24.13 O ATOM 1518 CB TYR B 33 -5.802 5.569 3.152 1.00 72.14 C ATOM 1519 CG TYR B 33 -4.441 6.237 2.896 1.00 13.23 C ATOM 1520 CD1 TYR B 33 -3.272 5.616 3.326 1.00 34.41 C ATOM 1521 CD2 TYR B 33 -4.322 7.478 2.267 1.00 64.24 C ATOM 1522 CE1 TYR B 33 -2.040 6.192 3.128 1.00 24.53 C ATOM 1523 CE2 TYR B 33 -3.086 8.059 2.061 1.00 45.54 C ATOM 1524 CZ TYR B 33 -1.949 7.416 2.501 1.00 75.52 C ATOM 1525 OH TYR B 33 -0.718 7.995 2.299 1.00 70.24 O ATOM 0 H TYR B 33 -6.900 5.669 0.889 1.00 74.42 H new ATOM 0 HA TYR B 33 -5.132 3.793 2.086 1.00 5.43 H new ATOM 0 HB2 TYR B 33 -6.591 6.299 2.970 1.00 72.14 H new ATOM 0 HB3 TYR B 33 -5.863 5.289 4.204 1.00 72.14 H new ATOM 0 HD1 TYR B 33 -3.334 4.661 3.826 1.00 34.41 H new ATOM 0 HD2 TYR B 33 -5.212 7.992 1.936 1.00 64.24 H new ATOM 0 HE1 TYR B 33 -1.146 5.687 3.463 1.00 24.53 H new ATOM 0 HE2 TYR B 33 -3.011 9.012 1.558 1.00 45.54 H new ATOM 0 HH TYR B 33 -0.810 8.971 2.307 1.00 70.24 H new ATOM 1535 N SER B 34 -8.318 3.518 2.873 1.00 5.24 N ATOM 1536 CA SER B 34 -9.344 2.608 3.423 1.00 23.41 C ATOM 1537 C SER B 34 -9.177 1.186 2.846 1.00 43.11 C ATOM 1538 O SER B 34 -9.125 0.210 3.590 1.00 22.44 O ATOM 1539 CB SER B 34 -10.760 3.150 3.121 1.00 5.14 C ATOM 1540 OG SER B 34 -11.771 2.300 3.641 1.00 43.53 O ATOM 0 H SER B 34 -8.706 4.305 2.354 1.00 5.24 H new ATOM 0 HA SER B 34 -9.214 2.556 4.504 1.00 23.41 H new ATOM 0 HB2 SER B 34 -10.867 4.147 3.549 1.00 5.14 H new ATOM 0 HB3 SER B 34 -10.889 3.251 2.043 1.00 5.14 H new ATOM 0 HG SER B 34 -12.652 2.675 3.433 1.00 43.53 H new ATOM 1546 N ARG B 35 -9.047 1.118 1.506 1.00 44.41 N ATOM 1547 CA ARG B 35 -8.815 -0.139 0.758 1.00 61.22 C ATOM 1548 C ARG B 35 -7.512 -0.843 1.176 1.00 71.32 C ATOM 1549 O ARG B 35 -7.472 -2.066 1.217 1.00 63.42 O ATOM 1550 CB ARG B 35 -8.794 0.162 -0.756 1.00 34.35 C ATOM 1551 CG ARG B 35 -10.142 0.685 -1.311 1.00 13.15 C ATOM 1552 CD ARG B 35 -11.005 -0.399 -1.981 1.00 21.42 C ATOM 1553 NE ARG B 35 -11.494 -1.427 -1.043 1.00 43.34 N ATOM 1554 CZ ARG B 35 -11.861 -2.651 -1.378 1.00 22.33 C ATOM 1555 NH1 ARG B 35 -11.729 -3.092 -2.595 1.00 55.34 N ATOM 1556 NH2 ARG B 35 -12.363 -3.430 -0.487 1.00 24.05 N ATOM 0 H ARG B 35 -9.100 1.940 0.905 1.00 44.41 H new ATOM 0 HA ARG B 35 -9.632 -0.820 0.995 1.00 61.22 H new ATOM 0 HB2 ARG B 35 -8.018 0.900 -0.959 1.00 34.35 H new ATOM 0 HB3 ARG B 35 -8.519 -0.746 -1.293 1.00 34.35 H new ATOM 0 HG2 ARG B 35 -10.709 1.134 -0.496 1.00 13.15 H new ATOM 0 HG3 ARG B 35 -9.943 1.476 -2.035 1.00 13.15 H new ATOM 0 HD2 ARG B 35 -11.859 0.075 -2.465 1.00 21.42 H new ATOM 0 HD3 ARG B 35 -10.422 -0.882 -2.765 1.00 21.42 H new ATOM 0 HE ARG B 35 -11.554 -1.172 -0.057 1.00 43.34 H new ATOM 0 HH11 ARG B 35 -11.334 -2.488 -3.316 1.00 55.34 H new ATOM 0 HH12 ARG B 35 -12.020 -4.041 -2.828 1.00 55.34 H new ATOM 0 HH21 ARG B 35 -12.476 -3.102 0.472 1.00 24.05 H new ATOM 0 HH22 ARG B 35 -12.648 -4.376 -0.739 1.00 24.05 H new ATOM 1570 N LEU B 36 -6.456 -0.056 1.485 1.00 41.14 N ATOM 1571 CA LEU B 36 -5.205 -0.604 2.051 1.00 52.55 C ATOM 1572 C LEU B 36 -5.510 -1.349 3.369 1.00 13.21 C ATOM 1573 O LEU B 36 -5.256 -2.534 3.473 1.00 11.11 O ATOM 1574 CB LEU B 36 -4.146 0.510 2.296 1.00 42.04 C ATOM 1575 CG LEU B 36 -3.643 1.287 1.036 1.00 32.23 C ATOM 1576 CD1 LEU B 36 -2.550 2.314 1.416 1.00 63.32 C ATOM 1577 CD2 LEU B 36 -3.152 0.328 -0.080 1.00 52.52 C ATOM 0 H LEU B 36 -6.446 0.955 1.352 1.00 41.14 H new ATOM 0 HA LEU B 36 -4.786 -1.301 1.326 1.00 52.55 H new ATOM 0 HB2 LEU B 36 -4.567 1.232 2.996 1.00 42.04 H new ATOM 0 HB3 LEU B 36 -3.283 0.058 2.785 1.00 42.04 H new ATOM 0 HG LEU B 36 -4.494 1.835 0.633 1.00 32.23 H new ATOM 0 HD11 LEU B 36 -2.218 2.840 0.521 1.00 63.32 H new ATOM 0 HD12 LEU B 36 -2.957 3.031 2.129 1.00 63.32 H new ATOM 0 HD13 LEU B 36 -1.704 1.795 1.866 1.00 63.32 H new ATOM 0 HD21 LEU B 36 -2.812 0.910 -0.936 1.00 52.52 H new ATOM 0 HD22 LEU B 36 -2.328 -0.278 0.297 1.00 52.52 H new ATOM 0 HD23 LEU B 36 -3.971 -0.323 -0.386 1.00 52.52 H new ATOM 1589 N ARG B 37 -6.147 -0.649 4.333 1.00 44.40 N ATOM 1590 CA ARG B 37 -6.543 -1.248 5.636 1.00 4.41 C ATOM 1591 C ARG B 37 -7.564 -2.415 5.496 1.00 70.40 C ATOM 1592 O ARG B 37 -7.663 -3.255 6.398 1.00 31.12 O ATOM 1593 CB ARG B 37 -7.090 -0.176 6.602 1.00 3.33 C ATOM 1594 CG ARG B 37 -6.004 0.780 7.166 1.00 63.42 C ATOM 1595 CD ARG B 37 -6.460 1.465 8.460 1.00 15.30 C ATOM 1596 NE ARG B 37 -6.818 0.475 9.502 1.00 44.33 N ATOM 1597 CZ ARG B 37 -7.517 0.721 10.592 1.00 71.43 C ATOM 1598 NH1 ARG B 37 -7.987 1.896 10.841 1.00 73.14 N ATOM 1599 NH2 ARG B 37 -7.780 -0.243 11.412 1.00 22.45 N ATOM 0 H ARG B 37 -6.401 0.334 4.237 1.00 44.40 H new ATOM 0 HA ARG B 37 -5.631 -1.674 6.053 1.00 4.41 H new ATOM 0 HB2 ARG B 37 -7.845 0.415 6.083 1.00 3.33 H new ATOM 0 HB3 ARG B 37 -7.590 -0.672 7.434 1.00 3.33 H new ATOM 0 HG2 ARG B 37 -5.089 0.218 7.356 1.00 63.42 H new ATOM 0 HG3 ARG B 37 -5.764 1.537 6.420 1.00 63.42 H new ATOM 0 HD2 ARG B 37 -5.665 2.112 8.830 1.00 15.30 H new ATOM 0 HD3 ARG B 37 -7.319 2.103 8.252 1.00 15.30 H new ATOM 0 HE ARG B 37 -6.495 -0.482 9.364 1.00 44.33 H new ATOM 0 HH11 ARG B 37 -7.821 2.661 10.187 1.00 73.14 H new ATOM 0 HH12 ARG B 37 -8.525 2.060 11.692 1.00 73.14 H new ATOM 0 HH21 ARG B 37 -7.447 -1.186 11.214 1.00 22.45 H new ATOM 0 HH22 ARG B 37 -8.320 -0.060 12.258 1.00 22.45 H new ATOM 1613 N GLU B 38 -8.306 -2.467 4.366 1.00 30.31 N ATOM 1614 CA GLU B 38 -9.267 -3.574 4.097 1.00 71.33 C ATOM 1615 C GLU B 38 -8.517 -4.837 3.622 1.00 45.13 C ATOM 1616 O GLU B 38 -8.912 -5.969 3.920 1.00 71.45 O ATOM 1617 CB GLU B 38 -10.325 -3.152 3.039 1.00 12.00 C ATOM 1618 CG GLU B 38 -11.330 -2.081 3.520 1.00 74.25 C ATOM 1619 CD GLU B 38 -12.324 -1.664 2.429 1.00 21.35 C ATOM 1620 OE1 GLU B 38 -13.275 -2.432 2.155 1.00 43.22 O ATOM 1621 OE2 GLU B 38 -12.156 -0.585 1.825 1.00 53.12 O ATOM 0 H GLU B 38 -8.262 -1.764 3.628 1.00 30.31 H new ATOM 0 HA GLU B 38 -9.786 -3.800 5.028 1.00 71.33 H new ATOM 0 HB2 GLU B 38 -9.807 -2.774 2.158 1.00 12.00 H new ATOM 0 HB3 GLU B 38 -10.880 -4.037 2.727 1.00 12.00 H new ATOM 0 HG2 GLU B 38 -11.881 -2.466 4.378 1.00 74.25 H new ATOM 0 HG3 GLU B 38 -10.782 -1.202 3.861 1.00 74.25 H new ATOM 1628 N LEU B 39 -7.428 -4.607 2.877 1.00 33.01 N ATOM 1629 CA LEU B 39 -6.575 -5.667 2.309 1.00 45.54 C ATOM 1630 C LEU B 39 -5.461 -6.112 3.287 1.00 44.12 C ATOM 1631 O LEU B 39 -4.890 -7.191 3.127 1.00 64.43 O ATOM 1632 CB LEU B 39 -5.973 -5.158 0.976 1.00 34.02 C ATOM 1633 CG LEU B 39 -7.007 -4.897 -0.167 1.00 71.32 C ATOM 1634 CD1 LEU B 39 -6.345 -4.221 -1.389 1.00 40.02 C ATOM 1635 CD2 LEU B 39 -7.735 -6.205 -0.568 1.00 74.55 C ATOM 0 H LEU B 39 -7.107 -3.666 2.647 1.00 33.01 H new ATOM 0 HA LEU B 39 -7.190 -6.549 2.128 1.00 45.54 H new ATOM 0 HB2 LEU B 39 -5.431 -4.233 1.171 1.00 34.02 H new ATOM 0 HB3 LEU B 39 -5.243 -5.887 0.624 1.00 34.02 H new ATOM 0 HG LEU B 39 -7.756 -4.204 0.217 1.00 71.32 H new ATOM 0 HD11 LEU B 39 -7.094 -4.055 -2.163 1.00 40.02 H new ATOM 0 HD12 LEU B 39 -5.916 -3.265 -1.088 1.00 40.02 H new ATOM 0 HD13 LEU B 39 -5.557 -4.865 -1.779 1.00 40.02 H new ATOM 0 HD21 LEU B 39 -8.448 -5.995 -1.365 1.00 74.55 H new ATOM 0 HD22 LEU B 39 -7.005 -6.935 -0.918 1.00 74.55 H new ATOM 0 HD23 LEU B 39 -8.264 -6.606 0.296 1.00 74.55 H new ATOM 1647 N VAL B 40 -5.162 -5.266 4.292 1.00 20.55 N ATOM 1648 CA VAL B 40 -4.142 -5.550 5.332 1.00 53.02 C ATOM 1649 C VAL B 40 -4.821 -5.919 6.686 1.00 41.32 C ATOM 1650 O VAL B 40 -5.299 -5.030 7.401 1.00 64.41 O ATOM 1651 CB VAL B 40 -3.168 -4.318 5.540 1.00 72.44 C ATOM 1652 CG1 VAL B 40 -2.043 -4.632 6.561 1.00 21.40 C ATOM 1653 CG2 VAL B 40 -2.583 -3.850 4.181 1.00 22.05 C ATOM 0 H VAL B 40 -5.620 -4.362 4.410 1.00 20.55 H new ATOM 0 HA VAL B 40 -3.553 -6.399 4.985 1.00 53.02 H new ATOM 0 HB VAL B 40 -3.755 -3.501 5.960 1.00 72.44 H new ATOM 0 HG11 VAL B 40 -1.399 -3.760 6.673 1.00 21.40 H new ATOM 0 HG12 VAL B 40 -2.486 -4.882 7.525 1.00 21.40 H new ATOM 0 HG13 VAL B 40 -1.452 -5.476 6.204 1.00 21.40 H new ATOM 0 HG21 VAL B 40 -1.916 -3.003 4.344 1.00 22.05 H new ATOM 0 HG22 VAL B 40 -2.026 -4.668 3.724 1.00 22.05 H new ATOM 0 HG23 VAL B 40 -3.395 -3.550 3.519 1.00 22.05 H new ATOM 1663 N PRO B 41 -4.913 -7.247 7.045 1.00 13.23 N ATOM 1664 CA PRO B 41 -5.413 -7.691 8.377 1.00 23.51 C ATOM 1665 C PRO B 41 -4.355 -7.548 9.504 1.00 20.24 C ATOM 1666 O PRO B 41 -4.677 -7.728 10.682 1.00 20.21 O ATOM 1667 CB PRO B 41 -5.767 -9.176 8.126 1.00 53.22 C ATOM 1668 CG PRO B 41 -4.772 -9.611 7.095 1.00 74.24 C ATOM 1669 CD PRO B 41 -4.590 -8.417 6.178 1.00 45.04 C ATOM 0 HA PRO B 41 -6.249 -7.086 8.727 1.00 23.51 H new ATOM 0 HB2 PRO B 41 -5.682 -9.767 9.038 1.00 53.22 H new ATOM 0 HB3 PRO B 41 -6.790 -9.288 7.767 1.00 53.22 H new ATOM 0 HG2 PRO B 41 -3.828 -9.898 7.558 1.00 74.24 H new ATOM 0 HG3 PRO B 41 -5.133 -10.479 6.543 1.00 74.24 H new ATOM 0 HD2 PRO B 41 -3.572 -8.360 5.793 1.00 45.04 H new ATOM 0 HD3 PRO B 41 -5.254 -8.471 5.315 1.00 45.04 H new ATOM 1677 N GLY B 42 -3.101 -7.202 9.129 1.00 34.12 N ATOM 1678 CA GLY B 42 -1.984 -7.060 10.081 1.00 73.42 C ATOM 1679 C GLY B 42 -1.940 -5.718 10.828 1.00 73.42 C ATOM 1680 O GLY B 42 -0.892 -5.348 11.364 1.00 75.35 O ATOM 0 H GLY B 42 -2.840 -7.015 8.161 1.00 34.12 H new ATOM 0 HA2 GLY B 42 -2.045 -7.865 10.813 1.00 73.42 H new ATOM 0 HA3 GLY B 42 -1.046 -7.190 9.541 1.00 73.42 H new ATOM 1684 N VAL B 43 -3.082 -4.998 10.870 1.00 13.01 N ATOM 1685 CA VAL B 43 -3.226 -3.740 11.636 1.00 30.05 C ATOM 1686 C VAL B 43 -3.261 -4.033 13.173 1.00 11.40 C ATOM 1687 O VAL B 43 -3.979 -4.947 13.600 1.00 11.21 O ATOM 1688 CB VAL B 43 -4.528 -2.964 11.186 1.00 33.44 C ATOM 1689 CG1 VAL B 43 -4.761 -1.677 12.013 1.00 15.03 C ATOM 1690 CG2 VAL B 43 -4.480 -2.650 9.664 1.00 55.35 C ATOM 0 H VAL B 43 -3.930 -5.272 10.374 1.00 13.01 H new ATOM 0 HA VAL B 43 -2.362 -3.109 11.428 1.00 30.05 H new ATOM 0 HB VAL B 43 -5.377 -3.619 11.379 1.00 33.44 H new ATOM 0 HG11 VAL B 43 -5.667 -1.180 11.666 1.00 15.03 H new ATOM 0 HG12 VAL B 43 -4.870 -1.936 13.066 1.00 15.03 H new ATOM 0 HG13 VAL B 43 -3.910 -1.007 11.891 1.00 15.03 H new ATOM 0 HG21 VAL B 43 -5.385 -2.116 9.374 1.00 55.35 H new ATOM 0 HG22 VAL B 43 -3.609 -2.032 9.447 1.00 55.35 H new ATOM 0 HG23 VAL B 43 -4.413 -3.582 9.102 1.00 55.35 H new ATOM 1700 N PRO B 44 -2.458 -3.292 14.023 1.00 11.03 N ATOM 1701 CA PRO B 44 -2.438 -3.481 15.511 1.00 20.12 C ATOM 1702 C PRO B 44 -3.843 -3.390 16.198 1.00 53.23 C ATOM 1703 O PRO B 44 -4.766 -2.745 15.677 1.00 73.54 O ATOM 1704 CB PRO B 44 -1.482 -2.352 16.009 1.00 61.32 C ATOM 1705 CG PRO B 44 -1.353 -1.405 14.850 1.00 52.12 C ATOM 1706 CD PRO B 44 -1.474 -2.259 13.613 1.00 70.41 C ATOM 0 HA PRO B 44 -2.108 -4.487 15.771 1.00 20.12 H new ATOM 0 HB2 PRO B 44 -1.890 -1.848 16.885 1.00 61.32 H new ATOM 0 HB3 PRO B 44 -0.512 -2.756 16.297 1.00 61.32 H new ATOM 0 HG2 PRO B 44 -2.132 -0.643 14.878 1.00 52.12 H new ATOM 0 HG3 PRO B 44 -0.396 -0.884 14.874 1.00 52.12 H new ATOM 0 HD2 PRO B 44 -1.825 -1.683 12.757 1.00 70.41 H new ATOM 0 HD3 PRO B 44 -0.518 -2.700 13.331 1.00 70.41 H new ATOM 1714 N ARG B 45 -3.950 -4.022 17.392 1.00 32.13 N ATOM 1715 CA ARG B 45 -5.229 -4.227 18.120 1.00 25.22 C ATOM 1716 C ARG B 45 -5.914 -2.885 18.506 1.00 35.42 C ATOM 1717 O ARG B 45 -5.435 -2.157 19.380 1.00 4.34 O ATOM 1718 CB ARG B 45 -4.979 -5.132 19.383 1.00 50.13 C ATOM 1719 CG ARG B 45 -6.257 -5.632 20.137 1.00 44.30 C ATOM 1720 CD ARG B 45 -6.759 -4.688 21.251 1.00 31.11 C ATOM 1721 NE ARG B 45 -8.073 -5.111 21.781 1.00 74.53 N ATOM 1722 CZ ARG B 45 -8.545 -4.860 22.982 1.00 31.42 C ATOM 1723 NH1 ARG B 45 -7.849 -4.239 23.873 1.00 12.11 N ATOM 1724 NH2 ARG B 45 -9.738 -5.242 23.284 1.00 24.34 N ATOM 0 H ARG B 45 -3.143 -4.408 17.883 1.00 32.13 H new ATOM 0 HA ARG B 45 -5.921 -4.736 17.450 1.00 25.22 H new ATOM 0 HB2 ARG B 45 -4.402 -6.003 19.072 1.00 50.13 H new ATOM 0 HB3 ARG B 45 -4.361 -4.575 20.087 1.00 50.13 H new ATOM 0 HG2 ARG B 45 -7.058 -5.774 19.412 1.00 44.30 H new ATOM 0 HG3 ARG B 45 -6.046 -6.608 20.574 1.00 44.30 H new ATOM 0 HD2 ARG B 45 -6.031 -4.664 22.062 1.00 31.11 H new ATOM 0 HD3 ARG B 45 -6.835 -3.673 20.860 1.00 31.11 H new ATOM 0 HE ARG B 45 -8.671 -5.650 21.154 1.00 74.53 H new ATOM 0 HH11 ARG B 45 -6.903 -3.927 23.655 1.00 12.11 H new ATOM 0 HH12 ARG B 45 -8.245 -4.060 24.796 1.00 12.11 H new ATOM 0 HH21 ARG B 45 -10.306 -5.734 22.594 1.00 24.34 H new ATOM 0 HH22 ARG B 45 -10.114 -5.053 24.213 1.00 24.34 H new ATOM 1738 N GLY B 46 -7.024 -2.572 17.809 1.00 43.22 N ATOM 1739 CA GLY B 46 -7.853 -1.387 18.093 1.00 43.34 C ATOM 1740 C GLY B 46 -7.240 -0.048 17.655 1.00 60.43 C ATOM 1741 O GLY B 46 -7.843 1.008 17.884 1.00 4.31 O ATOM 0 H GLY B 46 -7.370 -3.135 17.032 1.00 43.22 H new ATOM 0 HA2 GLY B 46 -8.816 -1.508 17.597 1.00 43.34 H new ATOM 0 HA3 GLY B 46 -8.049 -1.347 19.165 1.00 43.34 H new ATOM 1745 N THR B 47 -6.052 -0.090 17.021 1.00 53.10 N ATOM 1746 CA THR B 47 -5.327 1.120 16.575 1.00 55.54 C ATOM 1747 C THR B 47 -5.747 1.505 15.138 1.00 21.32 C ATOM 1748 O THR B 47 -5.705 0.671 14.224 1.00 3.24 O ATOM 1749 CB THR B 47 -3.777 0.906 16.638 1.00 12.23 C ATOM 1750 OG1 THR B 47 -3.409 0.419 17.941 1.00 22.35 O ATOM 1751 CG2 THR B 47 -2.993 2.205 16.344 1.00 23.02 C ATOM 0 H THR B 47 -5.567 -0.961 16.803 1.00 53.10 H new ATOM 0 HA THR B 47 -5.590 1.933 17.252 1.00 55.54 H new ATOM 0 HB THR B 47 -3.519 0.178 15.869 1.00 12.23 H new ATOM 0 HG1 THR B 47 -2.439 0.284 17.978 1.00 22.35 H new ATOM 0 HG21 THR B 47 -1.923 2.005 16.400 1.00 23.02 H new ATOM 0 HG22 THR B 47 -3.244 2.563 15.346 1.00 23.02 H new ATOM 0 HG23 THR B 47 -3.259 2.965 17.079 1.00 23.02 H new ATOM 1759 N GLN B 48 -6.138 2.778 14.959 1.00 41.31 N ATOM 1760 CA GLN B 48 -6.667 3.294 13.678 1.00 13.42 C ATOM 1761 C GLN B 48 -5.536 3.586 12.653 1.00 62.24 C ATOM 1762 O GLN B 48 -5.759 3.467 11.443 1.00 31.54 O ATOM 1763 CB GLN B 48 -7.508 4.583 13.945 1.00 4.31 C ATOM 1764 CG GLN B 48 -8.382 5.067 12.754 1.00 42.11 C ATOM 1765 CD GLN B 48 -9.655 4.231 12.513 1.00 30.11 C ATOM 1766 OE1 GLN B 48 -9.722 3.040 12.805 1.00 11.12 O ATOM 1767 NE2 GLN B 48 -10.673 4.846 11.951 1.00 51.14 N ATOM 0 H GLN B 48 -6.098 3.481 15.697 1.00 41.31 H new ATOM 0 HA GLN B 48 -7.302 2.524 13.240 1.00 13.42 H new ATOM 0 HB2 GLN B 48 -8.158 4.401 14.801 1.00 4.31 H new ATOM 0 HB3 GLN B 48 -6.829 5.388 14.226 1.00 4.31 H new ATOM 0 HG2 GLN B 48 -8.671 6.103 12.930 1.00 42.11 H new ATOM 0 HG3 GLN B 48 -7.777 5.054 11.847 1.00 42.11 H new ATOM 0 HE21 GLN B 48 -10.603 5.836 11.714 1.00 51.14 H new ATOM 0 HE22 GLN B 48 -11.532 4.333 11.752 1.00 51.14 H new ATOM 1776 N LEU B 49 -4.332 3.950 13.167 1.00 53.15 N ATOM 1777 CA LEU B 49 -3.154 4.385 12.357 1.00 72.31 C ATOM 1778 C LEU B 49 -3.441 5.742 11.645 1.00 30.23 C ATOM 1779 O LEU B 49 -4.390 5.846 10.854 1.00 20.22 O ATOM 1780 CB LEU B 49 -2.708 3.293 11.325 1.00 72.31 C ATOM 1781 CG LEU B 49 -2.369 1.877 11.902 1.00 73.43 C ATOM 1782 CD1 LEU B 49 -2.001 0.882 10.769 1.00 4.23 C ATOM 1783 CD2 LEU B 49 -1.251 1.955 12.966 1.00 23.23 C ATOM 0 H LEU B 49 -4.146 3.951 14.170 1.00 53.15 H new ATOM 0 HA LEU B 49 -2.324 4.527 13.049 1.00 72.31 H new ATOM 0 HB2 LEU B 49 -3.501 3.178 10.586 1.00 72.31 H new ATOM 0 HB3 LEU B 49 -1.830 3.664 10.795 1.00 72.31 H new ATOM 0 HG LEU B 49 -3.265 1.500 12.395 1.00 73.43 H new ATOM 0 HD11 LEU B 49 -1.771 -0.092 11.201 1.00 4.23 H new ATOM 0 HD12 LEU B 49 -2.842 0.785 10.083 1.00 4.23 H new ATOM 0 HD13 LEU B 49 -1.131 1.253 10.227 1.00 4.23 H new ATOM 0 HD21 LEU B 49 -1.040 0.955 13.346 1.00 23.23 H new ATOM 0 HD22 LEU B 49 -0.349 2.370 12.516 1.00 23.23 H new ATOM 0 HD23 LEU B 49 -1.574 2.595 13.787 1.00 23.23 H new ATOM 1795 N SER B 50 -2.614 6.773 11.920 1.00 21.13 N ATOM 1796 CA SER B 50 -2.892 8.165 11.458 1.00 20.41 C ATOM 1797 C SER B 50 -2.819 8.294 9.919 1.00 3.40 C ATOM 1798 O SER B 50 -3.832 8.584 9.267 1.00 5.54 O ATOM 1799 CB SER B 50 -1.938 9.186 12.122 1.00 54.52 C ATOM 1800 OG SER B 50 -1.973 9.102 13.544 1.00 34.20 O ATOM 0 H SER B 50 -1.751 6.677 12.456 1.00 21.13 H new ATOM 0 HA SER B 50 -3.913 8.392 11.766 1.00 20.41 H new ATOM 0 HB2 SER B 50 -0.920 9.011 11.773 1.00 54.52 H new ATOM 0 HB3 SER B 50 -2.213 10.194 11.811 1.00 54.52 H new ATOM 0 HG SER B 50 -1.324 8.434 13.848 1.00 34.20 H new ATOM 1806 N GLN B 51 -1.621 8.067 9.339 1.00 71.03 N ATOM 1807 CA GLN B 51 -1.403 8.215 7.878 1.00 23.42 C ATOM 1808 C GLN B 51 -0.126 7.475 7.391 1.00 41.13 C ATOM 1809 O GLN B 51 -0.195 6.634 6.482 1.00 3.33 O ATOM 1810 CB GLN B 51 -1.366 9.731 7.477 1.00 33.41 C ATOM 1811 CG GLN B 51 -0.426 10.617 8.326 1.00 64.44 C ATOM 1812 CD GLN B 51 -0.461 12.096 7.925 1.00 4.42 C ATOM 1813 OE1 GLN B 51 -1.259 12.873 8.435 1.00 45.43 O ATOM 1814 NE2 GLN B 51 0.406 12.494 7.017 1.00 35.11 N ATOM 0 H GLN B 51 -0.790 7.781 9.856 1.00 71.03 H new ATOM 0 HA GLN B 51 -2.247 7.743 7.376 1.00 23.42 H new ATOM 0 HB2 GLN B 51 -1.064 9.806 6.432 1.00 33.41 H new ATOM 0 HB3 GLN B 51 -2.377 10.133 7.546 1.00 33.41 H new ATOM 0 HG2 GLN B 51 -0.703 10.526 9.376 1.00 64.44 H new ATOM 0 HG3 GLN B 51 0.595 10.246 8.232 1.00 64.44 H new ATOM 0 HE21 GLN B 51 1.060 11.826 6.608 1.00 35.11 H new ATOM 0 HE22 GLN B 51 0.424 13.470 6.722 1.00 35.11 H new ATOM 1823 N VAL B 52 1.037 7.794 7.995 1.00 64.24 N ATOM 1824 CA VAL B 52 2.341 7.213 7.586 1.00 41.13 C ATOM 1825 C VAL B 52 2.449 5.743 8.040 1.00 13.53 C ATOM 1826 O VAL B 52 2.989 4.886 7.338 1.00 55.44 O ATOM 1827 CB VAL B 52 3.564 8.014 8.171 1.00 24.13 C ATOM 1828 CG1 VAL B 52 4.861 7.634 7.421 1.00 72.34 C ATOM 1829 CG2 VAL B 52 3.322 9.540 8.138 1.00 22.12 C ATOM 0 H VAL B 52 1.104 8.453 8.771 1.00 64.24 H new ATOM 0 HA VAL B 52 2.377 7.274 6.498 1.00 41.13 H new ATOM 0 HB VAL B 52 3.676 7.736 9.219 1.00 24.13 H new ATOM 0 HG11 VAL B 52 5.699 8.195 7.835 1.00 72.34 H new ATOM 0 HG12 VAL B 52 5.048 6.566 7.535 1.00 72.34 H new ATOM 0 HG13 VAL B 52 4.753 7.873 6.363 1.00 72.34 H new ATOM 0 HG21 VAL B 52 4.190 10.055 8.550 1.00 22.12 H new ATOM 0 HG22 VAL B 52 3.165 9.861 7.108 1.00 22.12 H new ATOM 0 HG23 VAL B 52 2.441 9.782 8.732 1.00 22.12 H new ATOM 1839 N GLU B 53 1.903 5.498 9.243 1.00 12.40 N ATOM 1840 CA GLU B 53 1.866 4.181 9.899 1.00 0.01 C ATOM 1841 C GLU B 53 1.114 3.143 9.038 1.00 70.44 C ATOM 1842 O GLU B 53 1.407 1.955 9.111 1.00 21.13 O ATOM 1843 CB GLU B 53 1.204 4.294 11.305 1.00 2.30 C ATOM 1844 CG GLU B 53 1.772 5.422 12.222 1.00 2.40 C ATOM 1845 CD GLU B 53 0.920 6.712 12.236 1.00 13.32 C ATOM 1846 OE1 GLU B 53 0.929 7.472 11.230 1.00 63.13 O ATOM 1847 OE2 GLU B 53 0.221 6.963 13.242 1.00 0.13 O ATOM 0 H GLU B 53 1.464 6.230 9.801 1.00 12.40 H new ATOM 0 HA GLU B 53 2.894 3.839 10.016 1.00 0.01 H new ATOM 0 HB2 GLU B 53 0.135 4.460 11.173 1.00 2.30 H new ATOM 0 HB3 GLU B 53 1.317 3.339 11.819 1.00 2.30 H new ATOM 0 HG2 GLU B 53 1.853 5.042 13.240 1.00 2.40 H new ATOM 0 HG3 GLU B 53 2.781 5.669 11.893 1.00 2.40 H new ATOM 1854 N ILE B 54 0.140 3.625 8.235 1.00 14.55 N ATOM 1855 CA ILE B 54 -0.569 2.801 7.234 1.00 54.13 C ATOM 1856 C ILE B 54 0.403 2.344 6.115 1.00 73.42 C ATOM 1857 O ILE B 54 0.468 1.163 5.806 1.00 34.11 O ATOM 1858 CB ILE B 54 -1.794 3.575 6.598 1.00 15.14 C ATOM 1859 CG1 ILE B 54 -2.832 3.974 7.702 1.00 52.31 C ATOM 1860 CG2 ILE B 54 -2.470 2.750 5.460 1.00 62.23 C ATOM 1861 CD1 ILE B 54 -4.058 4.723 7.194 1.00 45.44 C ATOM 0 H ILE B 54 -0.176 4.595 8.263 1.00 14.55 H new ATOM 0 HA ILE B 54 -0.956 1.925 7.754 1.00 54.13 H new ATOM 0 HB ILE B 54 -1.409 4.489 6.147 1.00 15.14 H new ATOM 0 HG12 ILE B 54 -3.163 3.069 8.212 1.00 52.31 H new ATOM 0 HG13 ILE B 54 -2.329 4.593 8.445 1.00 52.31 H new ATOM 0 HG21 ILE B 54 -3.306 3.315 5.049 1.00 62.23 H new ATOM 0 HG22 ILE B 54 -1.743 2.553 4.672 1.00 62.23 H new ATOM 0 HG23 ILE B 54 -2.834 1.805 5.863 1.00 62.23 H new ATOM 0 HD11 ILE B 54 -4.716 4.955 8.032 1.00 45.44 H new ATOM 0 HD12 ILE B 54 -3.745 5.649 6.712 1.00 45.44 H new ATOM 0 HD13 ILE B 54 -4.592 4.102 6.475 1.00 45.44 H new ATOM 1873 N LEU B 55 1.163 3.296 5.538 1.00 2.43 N ATOM 1874 CA LEU B 55 2.132 3.016 4.443 1.00 53.02 C ATOM 1875 C LEU B 55 3.223 2.001 4.869 1.00 51.24 C ATOM 1876 O LEU B 55 3.497 1.034 4.156 1.00 23.42 O ATOM 1877 CB LEU B 55 2.794 4.335 3.972 1.00 3.55 C ATOM 1878 CG LEU B 55 1.839 5.402 3.354 1.00 31.30 C ATOM 1879 CD1 LEU B 55 2.606 6.694 3.005 1.00 63.30 C ATOM 1880 CD2 LEU B 55 1.093 4.839 2.120 1.00 23.44 C ATOM 0 H LEU B 55 1.128 4.278 5.811 1.00 2.43 H new ATOM 0 HA LEU B 55 1.573 2.569 3.621 1.00 53.02 H new ATOM 0 HB2 LEU B 55 3.305 4.785 4.823 1.00 3.55 H new ATOM 0 HB3 LEU B 55 3.558 4.090 3.234 1.00 3.55 H new ATOM 0 HG LEU B 55 1.089 5.653 4.104 1.00 31.30 H new ATOM 0 HD11 LEU B 55 1.917 7.421 2.576 1.00 63.30 H new ATOM 0 HD12 LEU B 55 3.053 7.107 3.909 1.00 63.30 H new ATOM 0 HD13 LEU B 55 3.391 6.468 2.283 1.00 63.30 H new ATOM 0 HD21 LEU B 55 0.435 5.606 1.711 1.00 23.44 H new ATOM 0 HD22 LEU B 55 1.817 4.541 1.362 1.00 23.44 H new ATOM 0 HD23 LEU B 55 0.501 3.973 2.417 1.00 23.44 H new ATOM 1892 N GLN B 56 3.829 2.251 6.041 1.00 43.41 N ATOM 1893 CA GLN B 56 4.843 1.356 6.648 1.00 62.35 C ATOM 1894 C GLN B 56 4.245 -0.034 7.002 1.00 53.30 C ATOM 1895 O GLN B 56 4.935 -1.058 6.902 1.00 34.51 O ATOM 1896 CB GLN B 56 5.467 2.034 7.903 1.00 43.11 C ATOM 1897 CG GLN B 56 6.287 3.312 7.582 1.00 14.31 C ATOM 1898 CD GLN B 56 6.926 3.977 8.811 1.00 54.02 C ATOM 1899 OE1 GLN B 56 7.223 3.325 9.806 1.00 71.11 O ATOM 1900 NE2 GLN B 56 7.192 5.266 8.730 1.00 31.33 N ATOM 0 H GLN B 56 3.633 3.081 6.601 1.00 43.41 H new ATOM 0 HA GLN B 56 5.630 1.186 5.913 1.00 62.35 H new ATOM 0 HB2 GLN B 56 4.669 2.291 8.600 1.00 43.11 H new ATOM 0 HB3 GLN B 56 6.113 1.316 8.409 1.00 43.11 H new ATOM 0 HG2 GLN B 56 7.073 3.056 6.872 1.00 14.31 H new ATOM 0 HG3 GLN B 56 5.635 4.034 7.090 1.00 14.31 H new ATOM 0 HE21 GLN B 56 6.936 5.788 7.892 1.00 31.33 H new ATOM 0 HE22 GLN B 56 7.654 5.741 9.505 1.00 31.33 H new ATOM 1909 N ARG B 57 2.957 -0.045 7.419 1.00 13.00 N ATOM 1910 CA ARG B 57 2.197 -1.292 7.696 1.00 63.24 C ATOM 1911 C ARG B 57 2.024 -2.136 6.410 1.00 70.30 C ATOM 1912 O ARG B 57 2.128 -3.362 6.452 1.00 45.43 O ATOM 1913 CB ARG B 57 0.796 -0.953 8.286 1.00 11.33 C ATOM 1914 CG ARG B 57 -0.027 -2.144 8.844 1.00 62.10 C ATOM 1915 CD ARG B 57 0.509 -2.683 10.184 1.00 62.22 C ATOM 1916 NE ARG B 57 1.790 -3.414 10.053 1.00 32.44 N ATOM 1917 CZ ARG B 57 2.810 -3.322 10.883 1.00 74.54 C ATOM 1918 NH1 ARG B 57 2.853 -2.418 11.810 1.00 13.00 N ATOM 1919 NH2 ARG B 57 3.819 -4.112 10.739 1.00 12.20 N ATOM 0 H ARG B 57 2.415 0.805 7.573 1.00 13.00 H new ATOM 0 HA ARG B 57 2.765 -1.873 8.422 1.00 63.24 H new ATOM 0 HB2 ARG B 57 0.930 -0.226 9.087 1.00 11.33 H new ATOM 0 HB3 ARG B 57 0.207 -0.466 7.509 1.00 11.33 H new ATOM 0 HG2 ARG B 57 -1.063 -1.831 8.975 1.00 62.10 H new ATOM 0 HG3 ARG B 57 -0.028 -2.950 8.111 1.00 62.10 H new ATOM 0 HD2 ARG B 57 0.643 -1.850 10.875 1.00 62.22 H new ATOM 0 HD3 ARG B 57 -0.236 -3.346 10.625 1.00 62.22 H new ATOM 0 HE ARG B 57 1.892 -4.041 9.255 1.00 32.44 H new ATOM 0 HH11 ARG B 57 2.085 -1.754 11.911 1.00 13.00 H new ATOM 0 HH12 ARG B 57 3.655 -2.370 12.439 1.00 13.00 H new ATOM 0 HH21 ARG B 57 3.824 -4.801 9.987 1.00 12.20 H new ATOM 0 HH22 ARG B 57 4.612 -4.047 11.377 1.00 12.20 H new ATOM 1933 N VAL B 58 1.748 -1.444 5.286 1.00 40.24 N ATOM 1934 CA VAL B 58 1.569 -2.071 3.959 1.00 30.11 C ATOM 1935 C VAL B 58 2.899 -2.674 3.434 1.00 74.14 C ATOM 1936 O VAL B 58 2.904 -3.797 2.945 1.00 24.14 O ATOM 1937 CB VAL B 58 0.977 -1.046 2.909 1.00 14.40 C ATOM 1938 CG1 VAL B 58 0.945 -1.636 1.478 1.00 74.44 C ATOM 1939 CG2 VAL B 58 -0.440 -0.573 3.327 1.00 45.01 C ATOM 0 H VAL B 58 1.642 -0.430 5.272 1.00 40.24 H new ATOM 0 HA VAL B 58 0.852 -2.882 4.083 1.00 30.11 H new ATOM 0 HB VAL B 58 1.644 -0.184 2.899 1.00 14.40 H new ATOM 0 HG11 VAL B 58 0.531 -0.899 0.790 1.00 74.44 H new ATOM 0 HG12 VAL B 58 1.958 -1.894 1.168 1.00 74.44 H new ATOM 0 HG13 VAL B 58 0.323 -2.531 1.467 1.00 74.44 H new ATOM 0 HG21 VAL B 58 -0.822 0.130 2.587 1.00 45.01 H new ATOM 0 HG22 VAL B 58 -1.107 -1.433 3.388 1.00 45.01 H new ATOM 0 HG23 VAL B 58 -0.388 -0.084 4.300 1.00 45.01 H new ATOM 1949 N ILE B 59 4.016 -1.921 3.550 1.00 71.12 N ATOM 1950 CA ILE B 59 5.365 -2.407 3.146 1.00 63.41 C ATOM 1951 C ILE B 59 5.724 -3.715 3.898 1.00 65.41 C ATOM 1952 O ILE B 59 6.046 -4.725 3.274 1.00 41.32 O ATOM 1953 CB ILE B 59 6.476 -1.320 3.414 1.00 2.02 C ATOM 1954 CG1 ILE B 59 6.175 -0.010 2.616 1.00 3.14 C ATOM 1955 CG2 ILE B 59 7.900 -1.855 3.082 1.00 20.41 C ATOM 1956 CD1 ILE B 59 7.132 1.131 2.902 1.00 32.25 C ATOM 0 H ILE B 59 4.015 -0.971 3.921 1.00 71.12 H new ATOM 0 HA ILE B 59 5.330 -2.606 2.075 1.00 63.41 H new ATOM 0 HB ILE B 59 6.455 -1.088 4.479 1.00 2.02 H new ATOM 0 HG12 ILE B 59 6.204 -0.234 1.550 1.00 3.14 H new ATOM 0 HG13 ILE B 59 5.161 0.316 2.846 1.00 3.14 H new ATOM 0 HG21 ILE B 59 8.637 -1.076 3.280 1.00 20.41 H new ATOM 0 HG22 ILE B 59 8.116 -2.725 3.703 1.00 20.41 H new ATOM 0 HG23 ILE B 59 7.946 -2.139 2.031 1.00 20.41 H new ATOM 0 HD11 ILE B 59 6.851 2.000 2.307 1.00 32.25 H new ATOM 0 HD12 ILE B 59 7.088 1.386 3.961 1.00 32.25 H new ATOM 0 HD13 ILE B 59 8.147 0.828 2.644 1.00 32.25 H new ATOM 1968 N ASP B 60 5.620 -3.666 5.241 1.00 53.21 N ATOM 1969 CA ASP B 60 5.873 -4.824 6.135 1.00 5.40 C ATOM 1970 C ASP B 60 4.947 -6.027 5.799 1.00 62.33 C ATOM 1971 O ASP B 60 5.382 -7.179 5.830 1.00 21.33 O ATOM 1972 CB ASP B 60 5.676 -4.381 7.608 1.00 1.12 C ATOM 1973 CG ASP B 60 5.923 -5.513 8.626 1.00 5.12 C ATOM 1974 OD1 ASP B 60 7.094 -5.765 8.973 1.00 34.52 O ATOM 1975 OD2 ASP B 60 4.945 -6.157 9.072 1.00 61.44 O ATOM 0 H ASP B 60 5.357 -2.818 5.743 1.00 53.21 H new ATOM 0 HA ASP B 60 6.899 -5.159 5.984 1.00 5.40 H new ATOM 0 HB2 ASP B 60 6.352 -3.554 7.824 1.00 1.12 H new ATOM 0 HB3 ASP B 60 4.661 -4.004 7.734 1.00 1.12 H new ATOM 1980 N TYR B 61 3.670 -5.720 5.493 1.00 71.13 N ATOM 1981 CA TYR B 61 2.649 -6.709 5.061 1.00 64.42 C ATOM 1982 C TYR B 61 3.115 -7.484 3.803 1.00 22.35 C ATOM 1983 O TYR B 61 3.095 -8.717 3.784 1.00 72.32 O ATOM 1984 CB TYR B 61 1.302 -5.966 4.799 1.00 70.44 C ATOM 1985 CG TYR B 61 0.195 -6.789 4.119 1.00 3.32 C ATOM 1986 CD1 TYR B 61 -0.564 -7.718 4.837 1.00 74.01 C ATOM 1987 CD2 TYR B 61 -0.113 -6.618 2.760 1.00 12.34 C ATOM 1988 CE1 TYR B 61 -1.559 -8.452 4.230 1.00 3.22 C ATOM 1989 CE2 TYR B 61 -1.111 -7.356 2.158 1.00 12.43 C ATOM 1990 CZ TYR B 61 -1.837 -8.262 2.900 1.00 42.23 C ATOM 1991 OH TYR B 61 -2.831 -9.006 2.303 1.00 71.12 O ATOM 0 H TYR B 61 3.309 -4.767 5.538 1.00 71.13 H new ATOM 0 HA TYR B 61 2.506 -7.445 5.852 1.00 64.42 H new ATOM 0 HB2 TYR B 61 0.921 -5.601 5.753 1.00 70.44 H new ATOM 0 HB3 TYR B 61 1.507 -5.091 4.182 1.00 70.44 H new ATOM 0 HD1 TYR B 61 -0.366 -7.863 5.889 1.00 74.01 H new ATOM 0 HD2 TYR B 61 0.440 -5.897 2.176 1.00 12.34 H new ATOM 0 HE1 TYR B 61 -2.120 -9.177 4.801 1.00 3.22 H new ATOM 0 HE2 TYR B 61 -1.323 -7.224 1.107 1.00 12.43 H new ATOM 0 HH TYR B 61 -3.697 -8.571 2.449 1.00 71.12 H new ATOM 2001 N ILE B 62 3.552 -6.732 2.777 1.00 72.32 N ATOM 2002 CA ILE B 62 4.010 -7.290 1.483 1.00 11.12 C ATOM 2003 C ILE B 62 5.299 -8.147 1.653 1.00 61.34 C ATOM 2004 O ILE B 62 5.427 -9.211 1.037 1.00 32.14 O ATOM 2005 CB ILE B 62 4.260 -6.138 0.435 1.00 2.34 C ATOM 2006 CG1 ILE B 62 2.957 -5.295 0.193 1.00 54.00 C ATOM 2007 CG2 ILE B 62 4.794 -6.710 -0.899 1.00 22.20 C ATOM 2008 CD1 ILE B 62 3.140 -4.074 -0.704 1.00 61.23 C ATOM 0 H ILE B 62 3.599 -5.714 2.818 1.00 72.32 H new ATOM 0 HA ILE B 62 3.218 -7.941 1.111 1.00 11.12 H new ATOM 0 HB ILE B 62 5.018 -5.474 0.850 1.00 2.34 H new ATOM 0 HG12 ILE B 62 2.200 -5.942 -0.249 1.00 54.00 H new ATOM 0 HG13 ILE B 62 2.571 -4.965 1.157 1.00 54.00 H new ATOM 0 HG21 ILE B 62 4.958 -5.895 -1.604 1.00 22.20 H new ATOM 0 HG22 ILE B 62 5.735 -7.231 -0.721 1.00 22.20 H new ATOM 0 HG23 ILE B 62 4.066 -7.407 -1.313 1.00 22.20 H new ATOM 0 HD11 ILE B 62 2.187 -3.556 -0.812 1.00 61.23 H new ATOM 0 HD12 ILE B 62 3.870 -3.400 -0.257 1.00 61.23 H new ATOM 0 HD13 ILE B 62 3.493 -4.393 -1.685 1.00 61.23 H new ATOM 2020 N LEU B 63 6.236 -7.668 2.492 1.00 30.45 N ATOM 2021 CA LEU B 63 7.487 -8.401 2.828 1.00 74.11 C ATOM 2022 C LEU B 63 7.180 -9.740 3.541 1.00 14.14 C ATOM 2023 O LEU B 63 7.783 -10.775 3.248 1.00 14.40 O ATOM 2024 CB LEU B 63 8.400 -7.514 3.719 1.00 65.32 C ATOM 2025 CG LEU B 63 8.893 -6.177 3.073 1.00 21.32 C ATOM 2026 CD1 LEU B 63 9.672 -5.318 4.096 1.00 54.33 C ATOM 2027 CD2 LEU B 63 9.731 -6.439 1.794 1.00 70.51 C ATOM 0 H LEU B 63 6.155 -6.765 2.959 1.00 30.45 H new ATOM 0 HA LEU B 63 8.007 -8.629 1.897 1.00 74.11 H new ATOM 0 HB2 LEU B 63 7.860 -7.275 4.635 1.00 65.32 H new ATOM 0 HB3 LEU B 63 9.273 -8.099 4.007 1.00 65.32 H new ATOM 0 HG LEU B 63 8.012 -5.611 2.771 1.00 21.32 H new ATOM 0 HD11 LEU B 63 10.002 -4.395 3.619 1.00 54.33 H new ATOM 0 HD12 LEU B 63 9.024 -5.079 4.939 1.00 54.33 H new ATOM 0 HD13 LEU B 63 10.540 -5.874 4.452 1.00 54.33 H new ATOM 0 HD21 LEU B 63 10.057 -5.489 1.372 1.00 70.51 H new ATOM 0 HD22 LEU B 63 10.603 -7.042 2.048 1.00 70.51 H new ATOM 0 HD23 LEU B 63 9.122 -6.971 1.063 1.00 70.51 H new ATOM 2039 N ASP B 64 6.205 -9.690 4.463 1.00 75.11 N ATOM 2040 CA ASP B 64 5.740 -10.860 5.237 1.00 74.42 C ATOM 2041 C ASP B 64 5.044 -11.913 4.331 1.00 1.23 C ATOM 2042 O ASP B 64 5.067 -13.113 4.634 1.00 0.32 O ATOM 2043 CB ASP B 64 4.804 -10.373 6.372 1.00 44.11 C ATOM 2044 CG ASP B 64 4.365 -11.485 7.341 1.00 72.30 C ATOM 2045 OD1 ASP B 64 5.133 -11.818 8.268 1.00 43.44 O ATOM 2046 OD2 ASP B 64 3.250 -12.031 7.179 1.00 43.31 O ATOM 0 H ASP B 64 5.710 -8.829 4.697 1.00 75.11 H new ATOM 0 HA ASP B 64 6.603 -11.361 5.675 1.00 74.42 H new ATOM 0 HB2 ASP B 64 5.312 -9.592 6.938 1.00 44.11 H new ATOM 0 HB3 ASP B 64 3.917 -9.920 5.929 1.00 44.11 H new ATOM 2051 N LEU B 65 4.412 -11.449 3.236 1.00 33.33 N ATOM 2052 CA LEU B 65 3.813 -12.340 2.213 1.00 11.04 C ATOM 2053 C LEU B 65 4.896 -12.980 1.311 1.00 14.43 C ATOM 2054 O LEU B 65 4.977 -14.208 1.189 1.00 15.11 O ATOM 2055 CB LEU B 65 2.796 -11.564 1.331 1.00 44.40 C ATOM 2056 CG LEU B 65 1.565 -10.959 2.066 1.00 25.21 C ATOM 2057 CD1 LEU B 65 0.602 -10.289 1.065 1.00 14.22 C ATOM 2058 CD2 LEU B 65 0.846 -12.019 2.938 1.00 22.13 C ATOM 0 H LEU B 65 4.301 -10.456 3.033 1.00 33.33 H new ATOM 0 HA LEU B 65 3.293 -13.136 2.746 1.00 11.04 H new ATOM 0 HB2 LEU B 65 3.326 -10.755 0.829 1.00 44.40 H new ATOM 0 HB3 LEU B 65 2.434 -12.237 0.554 1.00 44.40 H new ATOM 0 HG LEU B 65 1.926 -10.185 2.743 1.00 25.21 H new ATOM 0 HD11 LEU B 65 -0.250 -9.874 1.603 1.00 14.22 H new ATOM 0 HD12 LEU B 65 1.123 -9.490 0.538 1.00 14.22 H new ATOM 0 HD13 LEU B 65 0.252 -11.029 0.346 1.00 14.22 H new ATOM 0 HD21 LEU B 65 -0.008 -11.561 3.436 1.00 22.13 H new ATOM 0 HD22 LEU B 65 0.502 -12.837 2.306 1.00 22.13 H new ATOM 0 HD23 LEU B 65 1.538 -12.405 3.686 1.00 22.13 H new ATOM 2070 N GLN B 66 5.736 -12.126 0.699 1.00 41.52 N ATOM 2071 CA GLN B 66 6.722 -12.549 -0.325 1.00 51.02 C ATOM 2072 C GLN B 66 8.148 -12.662 0.267 1.00 62.54 C ATOM 2073 O GLN B 66 8.523 -13.713 0.789 1.00 13.24 O ATOM 2074 CB GLN B 66 6.735 -11.589 -1.556 1.00 62.33 C ATOM 2075 CG GLN B 66 5.419 -11.486 -2.349 1.00 14.24 C ATOM 2076 CD GLN B 66 5.625 -10.849 -3.732 1.00 64.10 C ATOM 2077 OE1 GLN B 66 5.852 -11.542 -4.721 1.00 71.32 O ATOM 2078 NE2 GLN B 66 5.577 -9.533 -3.815 1.00 53.34 N ATOM 0 H GLN B 66 5.755 -11.125 0.896 1.00 41.52 H new ATOM 0 HA GLN B 66 6.406 -13.536 -0.664 1.00 51.02 H new ATOM 0 HB2 GLN B 66 7.006 -10.591 -1.210 1.00 62.33 H new ATOM 0 HB3 GLN B 66 7.521 -11.915 -2.237 1.00 62.33 H new ATOM 0 HG2 GLN B 66 4.990 -12.481 -2.469 1.00 14.24 H new ATOM 0 HG3 GLN B 66 4.700 -10.895 -1.782 1.00 14.24 H new ATOM 0 HE21 GLN B 66 5.387 -8.976 -2.982 1.00 53.34 H new ATOM 0 HE22 GLN B 66 5.730 -9.073 -4.712 1.00 53.34 H new ATOM 2087 N VAL B 67 8.921 -11.554 0.209 1.00 61.32 N ATOM 2088 CA VAL B 67 10.374 -11.549 0.495 1.00 11.51 C ATOM 2089 C VAL B 67 10.683 -10.818 1.820 1.00 21.14 C ATOM 2090 O VAL B 67 10.372 -9.638 1.981 1.00 0.22 O ATOM 2091 CB VAL B 67 11.190 -10.912 -0.708 1.00 22.44 C ATOM 2092 CG1 VAL B 67 11.191 -11.859 -1.931 1.00 32.43 C ATOM 2093 CG2 VAL B 67 10.645 -9.507 -1.102 1.00 41.44 C ATOM 0 H VAL B 67 8.554 -10.635 -0.038 1.00 61.32 H new ATOM 0 HA VAL B 67 10.692 -12.586 0.606 1.00 11.51 H new ATOM 0 HB VAL B 67 12.217 -10.779 -0.368 1.00 22.44 H new ATOM 0 HG11 VAL B 67 11.756 -11.403 -2.744 1.00 32.43 H new ATOM 0 HG12 VAL B 67 11.652 -12.808 -1.656 1.00 32.43 H new ATOM 0 HG13 VAL B 67 10.165 -12.035 -2.256 1.00 32.43 H new ATOM 0 HG21 VAL B 67 11.232 -9.108 -1.929 1.00 41.44 H new ATOM 0 HG22 VAL B 67 9.602 -9.594 -1.406 1.00 41.44 H new ATOM 0 HG23 VAL B 67 10.719 -8.835 -0.247 1.00 41.44 H new ATOM 2103 N VAL B 68 11.291 -11.540 2.773 1.00 22.43 N ATOM 2104 CA VAL B 68 11.637 -10.982 4.106 1.00 74.12 C ATOM 2105 C VAL B 68 12.830 -9.969 4.023 1.00 50.11 C ATOM 2106 O VAL B 68 12.636 -8.777 4.356 1.00 38.59 O ATOM 2107 CB VAL B 68 11.908 -12.128 5.169 1.00 62.33 C ATOM 2108 CG1 VAL B 68 10.586 -12.841 5.558 1.00 61.02 C ATOM 2109 CG2 VAL B 68 12.956 -13.156 4.663 1.00 53.02 C ATOM 2110 OXT VAL B 68 13.948 -10.345 3.600 1.00 38.59 O ATOM 0 H VAL B 68 11.558 -12.517 2.652 1.00 22.43 H new ATOM 0 HA VAL B 68 10.769 -10.422 4.454 1.00 74.12 H new ATOM 0 HB VAL B 68 12.323 -11.652 6.058 1.00 62.33 H new ATOM 0 HG11 VAL B 68 10.795 -13.623 6.288 1.00 61.02 H new ATOM 0 HG12 VAL B 68 9.896 -12.117 5.990 1.00 61.02 H new ATOM 0 HG13 VAL B 68 10.137 -13.285 4.670 1.00 61.02 H new ATOM 0 HG21 VAL B 68 13.110 -13.922 5.423 1.00 53.02 H new ATOM 0 HG22 VAL B 68 12.595 -13.622 3.746 1.00 53.02 H new ATOM 0 HG23 VAL B 68 13.899 -12.647 4.465 1.00 53.02 H new