USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=19 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 29 MET CE :methyl 165:sc= -0.19 (180deg=-0.62) USER MOD Set 1.2: A 33 TYR OH : rot -130:sc= 0.876 USER MOD Set 1.3: B 33 TYR OH : rot 83:sc= 1.03 USER MOD Set 2.1: A 32 CYS SG : rot -112:sc= 1.12 USER MOD Set 2.2: B 56 GLN :FLIP amide:sc= 0.266 F(o=-5.8!,f=1.4) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 31 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0.029) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -150:sc= -1.45 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -1.06 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 61 TYR OH : rot 62:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.274 F(o=-2.6!,f=-0.27) USER MOD Single : B 29 MET CE :methyl 157:sc= -0.109 (180deg=-0.635) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 HIS :FLIP no HE2:sc= 0.0905 F(o=-0.41,f=0.09) USER MOD Single : B 32 CYS SG : rot 82:sc= 1.14 USER MOD Single : B 34 SER OG : rot -74:sc= 0.0855 USER MOD Single : B 47 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 10.201 14.429 3.443 1.00 51.34 N ATOM 372 CA ASP A 27 9.323 13.466 2.740 1.00 61.43 C ATOM 373 C ASP A 27 9.626 11.992 3.112 1.00 32.03 C ATOM 374 O ASP A 27 10.322 11.280 2.383 1.00 2.55 O ATOM 375 CB ASP A 27 9.438 13.684 1.213 1.00 13.32 C ATOM 376 CG ASP A 27 8.896 15.050 0.778 1.00 63.23 C ATOM 377 OD1 ASP A 27 9.583 16.072 0.995 1.00 71.13 O ATOM 378 OD2 ASP A 27 7.763 15.113 0.253 1.00 62.10 O ATOM 0 HA ASP A 27 8.299 13.655 3.063 1.00 61.43 H new ATOM 0 HB2 ASP A 27 10.483 13.598 0.914 1.00 13.32 H new ATOM 0 HB3 ASP A 27 8.892 12.897 0.694 1.00 13.32 H new ATOM 383 N ASP A 28 9.107 11.562 4.274 1.00 45.25 N ATOM 384 CA ASP A 28 9.178 10.156 4.726 1.00 54.13 C ATOM 385 C ASP A 28 8.218 9.277 3.883 1.00 10.34 C ATOM 386 O ASP A 28 8.554 8.145 3.504 1.00 71.53 O ATOM 387 CB ASP A 28 8.809 10.081 6.238 1.00 10.10 C ATOM 388 CG ASP A 28 9.083 8.701 6.868 1.00 12.45 C ATOM 389 OD1 ASP A 28 8.244 7.784 6.728 1.00 23.41 O ATOM 390 OD2 ASP A 28 10.148 8.523 7.498 1.00 45.23 O ATOM 0 H ASP A 28 8.625 12.177 4.929 1.00 45.25 H new ATOM 0 HA ASP A 28 10.192 9.779 4.590 1.00 54.13 H new ATOM 0 HB2 ASP A 28 9.375 10.838 6.780 1.00 10.10 H new ATOM 0 HB3 ASP A 28 7.753 10.324 6.359 1.00 10.10 H new ATOM 395 N MET A 29 7.025 9.845 3.586 1.00 14.24 N ATOM 396 CA MET A 29 5.952 9.155 2.833 1.00 61.15 C ATOM 397 C MET A 29 6.405 8.783 1.408 1.00 4.43 C ATOM 398 O MET A 29 6.029 7.739 0.905 1.00 11.41 O ATOM 399 CB MET A 29 4.669 10.028 2.747 1.00 10.22 C ATOM 400 CG MET A 29 4.163 10.557 4.094 1.00 43.22 C ATOM 401 SD MET A 29 2.480 11.208 4.018 1.00 10.31 S ATOM 402 CE MET A 29 1.539 9.716 3.675 1.00 72.34 C ATOM 0 H MET A 29 6.780 10.796 3.862 1.00 14.24 H new ATOM 0 HA MET A 29 5.728 8.240 3.382 1.00 61.15 H new ATOM 0 HB2 MET A 29 4.866 10.875 2.090 1.00 10.22 H new ATOM 0 HB3 MET A 29 3.877 9.441 2.282 1.00 10.22 H new ATOM 0 HG2 MET A 29 4.202 9.754 4.830 1.00 43.22 H new ATOM 0 HG3 MET A 29 4.834 11.342 4.443 1.00 43.22 H new ATOM 0 HE1 MET A 29 0.481 9.902 3.862 1.00 72.34 H new ATOM 0 HE2 MET A 29 1.678 9.430 2.633 1.00 72.34 H new ATOM 0 HE3 MET A 29 1.886 8.910 4.322 1.00 72.34 H new ATOM 412 N ASN A 30 7.214 9.667 0.784 1.00 33.35 N ATOM 413 CA ASN A 30 7.773 9.456 -0.576 1.00 51.20 C ATOM 414 C ASN A 30 8.630 8.162 -0.653 1.00 63.23 C ATOM 415 O ASN A 30 8.550 7.414 -1.628 1.00 12.23 O ATOM 416 CB ASN A 30 8.623 10.687 -0.984 1.00 41.23 C ATOM 417 CG ASN A 30 9.180 10.615 -2.411 1.00 61.12 C ATOM 418 OD1 ASN A 30 8.554 10.074 -3.320 1.00 31.34 O ATOM 419 ND2 ASN A 30 10.365 11.152 -2.617 1.00 73.31 N ATOM 0 H ASN A 30 7.500 10.550 1.207 1.00 33.35 H new ATOM 0 HA ASN A 30 6.941 9.337 -1.270 1.00 51.20 H new ATOM 0 HB2 ASN A 30 8.013 11.585 -0.888 1.00 41.23 H new ATOM 0 HB3 ASN A 30 9.453 10.790 -0.286 1.00 41.23 H new ATOM 0 HD21 ASN A 30 10.783 11.124 -3.547 1.00 73.31 H new ATOM 0 HD22 ASN A 30 10.865 11.595 -1.846 1.00 73.31 H new ATOM 426 N HIS A 31 9.442 7.916 0.393 1.00 72.24 N ATOM 427 CA HIS A 31 10.283 6.695 0.490 1.00 71.23 C ATOM 428 C HIS A 31 9.435 5.443 0.798 1.00 32.13 C ATOM 429 O HIS A 31 9.780 4.339 0.377 1.00 65.34 O ATOM 430 CB HIS A 31 11.401 6.884 1.536 1.00 3.21 C ATOM 431 CG HIS A 31 12.360 7.983 1.159 1.00 32.12 C ATOM 432 ND1 HIS A 31 13.251 7.823 0.130 1.00 52.13 N ATOM 433 CD2 HIS A 31 12.475 9.237 1.645 1.00 53.01 C ATOM 434 CE1 HIS A 31 13.881 8.975 0.014 1.00 63.14 C ATOM 435 NE2 HIS A 31 13.446 9.863 0.908 1.00 51.25 N ATOM 0 H HIS A 31 9.537 8.547 1.189 1.00 72.24 H new ATOM 0 HA HIS A 31 10.750 6.536 -0.482 1.00 71.23 H new ATOM 0 HB2 HIS A 31 10.955 7.111 2.504 1.00 3.21 H new ATOM 0 HB3 HIS A 31 11.950 5.949 1.650 1.00 3.21 H new ATOM 0 HD2 HIS A 31 11.910 9.665 2.459 1.00 53.01 H new ATOM 0 HE1 HIS A 31 14.653 9.175 -0.714 1.00 63.14 H new ATOM 0 HE2 HIS A 31 13.773 10.823 1.022 1.00 51.25 H new ATOM 443 N CYS A 32 8.321 5.634 1.525 1.00 22.33 N ATOM 444 CA CYS A 32 7.310 4.571 1.748 1.00 24.44 C ATOM 445 C CYS A 32 6.614 4.177 0.414 1.00 24.01 C ATOM 446 O CYS A 32 6.405 2.997 0.131 1.00 4.44 O ATOM 447 CB CYS A 32 6.260 5.037 2.782 1.00 3.23 C ATOM 448 SG CYS A 32 6.955 5.484 4.396 1.00 63.43 S ATOM 0 H CYS A 32 8.091 6.521 1.974 1.00 22.33 H new ATOM 0 HA CYS A 32 7.822 3.692 2.138 1.00 24.44 H new ATOM 0 HB2 CYS A 32 5.725 5.897 2.378 1.00 3.23 H new ATOM 0 HB3 CYS A 32 5.527 4.243 2.922 1.00 3.23 H new ATOM 0 HG CYS A 32 6.566 4.624 5.289 1.00 63.43 H new ATOM 454 N TYR A 33 6.300 5.200 -0.398 1.00 55.34 N ATOM 455 CA TYR A 33 5.693 5.048 -1.741 1.00 25.22 C ATOM 456 C TYR A 33 6.676 4.418 -2.752 1.00 75.43 C ATOM 457 O TYR A 33 6.263 3.698 -3.663 1.00 3.23 O ATOM 458 CB TYR A 33 5.195 6.427 -2.262 1.00 10.42 C ATOM 459 CG TYR A 33 3.844 6.878 -1.681 1.00 12.10 C ATOM 460 CD1 TYR A 33 2.728 6.064 -1.817 1.00 52.14 C ATOM 461 CD2 TYR A 33 3.665 8.113 -1.050 1.00 21.05 C ATOM 462 CE1 TYR A 33 1.500 6.444 -1.357 1.00 65.12 C ATOM 463 CE2 TYR A 33 2.427 8.498 -0.572 1.00 10.11 C ATOM 464 CZ TYR A 33 1.349 7.659 -0.732 1.00 20.43 C ATOM 465 OH TYR A 33 0.114 8.043 -0.273 1.00 14.33 O ATOM 0 H TYR A 33 6.461 6.174 -0.140 1.00 55.34 H new ATOM 0 HA TYR A 33 4.845 4.370 -1.644 1.00 25.22 H new ATOM 0 HB2 TYR A 33 5.946 7.182 -2.030 1.00 10.42 H new ATOM 0 HB3 TYR A 33 5.113 6.383 -3.348 1.00 10.42 H new ATOM 0 HD1 TYR A 33 2.834 5.104 -2.300 1.00 52.14 H new ATOM 0 HD2 TYR A 33 4.509 8.777 -0.934 1.00 21.05 H new ATOM 0 HE1 TYR A 33 0.649 5.791 -1.484 1.00 65.12 H new ATOM 0 HE2 TYR A 33 2.307 9.450 -0.077 1.00 10.11 H new ATOM 0 HH TYR A 33 -0.086 8.949 -0.590 1.00 14.33 H new ATOM 475 N SER A 34 7.971 4.730 -2.580 1.00 25.00 N ATOM 476 CA SER A 34 9.066 4.104 -3.350 1.00 34.31 C ATOM 477 C SER A 34 9.116 2.590 -3.071 1.00 5.25 C ATOM 478 O SER A 34 9.123 1.792 -4.002 1.00 13.10 O ATOM 479 CB SER A 34 10.422 4.763 -3.005 1.00 53.30 C ATOM 480 OG SER A 34 11.498 4.158 -3.703 1.00 4.43 O ATOM 0 H SER A 34 8.292 5.423 -1.904 1.00 25.00 H new ATOM 0 HA SER A 34 8.873 4.257 -4.412 1.00 34.31 H new ATOM 0 HB2 SER A 34 10.382 5.824 -3.249 1.00 53.30 H new ATOM 0 HB3 SER A 34 10.599 4.689 -1.932 1.00 53.30 H new ATOM 0 HG SER A 34 12.337 4.603 -3.460 1.00 4.43 H new ATOM 486 N ARG A 35 9.083 2.224 -1.770 1.00 31.54 N ATOM 487 CA ARG A 35 9.106 0.815 -1.299 1.00 42.20 C ATOM 488 C ARG A 35 7.897 -0.003 -1.783 1.00 23.53 C ATOM 489 O ARG A 35 8.046 -1.174 -2.140 1.00 51.24 O ATOM 490 CB ARG A 35 9.218 0.768 0.220 1.00 3.32 C ATOM 491 CG ARG A 35 10.597 1.243 0.677 1.00 2.42 C ATOM 492 CD ARG A 35 10.772 1.155 2.174 1.00 61.44 C ATOM 493 NE ARG A 35 10.792 -0.237 2.660 1.00 32.15 N ATOM 494 CZ ARG A 35 10.804 -0.605 3.922 1.00 21.42 C ATOM 495 NH1 ARG A 35 10.685 0.252 4.883 1.00 71.55 N ATOM 496 NH2 ARG A 35 10.913 -1.853 4.210 1.00 53.11 N ATOM 0 H ARG A 35 9.039 2.902 -1.009 1.00 31.54 H new ATOM 0 HA ARG A 35 9.987 0.349 -1.741 1.00 42.20 H new ATOM 0 HB2 ARG A 35 8.446 1.395 0.666 1.00 3.32 H new ATOM 0 HB3 ARG A 35 9.044 -0.249 0.571 1.00 3.32 H new ATOM 0 HG2 ARG A 35 11.365 0.643 0.189 1.00 2.42 H new ATOM 0 HG3 ARG A 35 10.747 2.274 0.357 1.00 2.42 H new ATOM 0 HD2 ARG A 35 11.702 1.649 2.457 1.00 61.44 H new ATOM 0 HD3 ARG A 35 9.962 1.696 2.664 1.00 61.44 H new ATOM 0 HE ARG A 35 10.797 -0.977 1.958 1.00 32.15 H new ATOM 0 HH11 ARG A 35 10.578 1.244 4.671 1.00 71.55 H new ATOM 0 HH12 ARG A 35 10.698 -0.064 5.853 1.00 71.55 H new ATOM 0 HH21 ARG A 35 10.989 -2.544 3.464 1.00 53.11 H new ATOM 0 HH22 ARG A 35 10.924 -2.152 5.185 1.00 53.11 H new ATOM 510 N LEU A 36 6.707 0.632 -1.777 1.00 2.41 N ATOM 511 CA LEU A 36 5.495 0.074 -2.410 1.00 74.32 C ATOM 512 C LEU A 36 5.771 -0.247 -3.901 1.00 71.54 C ATOM 513 O LEU A 36 5.661 -1.392 -4.322 1.00 34.11 O ATOM 514 CB LEU A 36 4.308 1.075 -2.285 1.00 72.04 C ATOM 515 CG LEU A 36 3.759 1.331 -0.839 1.00 22.11 C ATOM 516 CD1 LEU A 36 2.687 2.448 -0.827 1.00 2.23 C ATOM 517 CD2 LEU A 36 3.213 0.024 -0.208 1.00 23.32 C ATOM 0 H LEU A 36 6.560 1.540 -1.336 1.00 2.41 H new ATOM 0 HA LEU A 36 5.226 -0.849 -1.896 1.00 74.32 H new ATOM 0 HB2 LEU A 36 4.622 2.031 -2.705 1.00 72.04 H new ATOM 0 HB3 LEU A 36 3.487 0.710 -2.902 1.00 72.04 H new ATOM 0 HG LEU A 36 4.594 1.674 -0.228 1.00 22.11 H new ATOM 0 HD11 LEU A 36 2.329 2.598 0.192 1.00 2.23 H new ATOM 0 HD12 LEU A 36 3.123 3.375 -1.199 1.00 2.23 H new ATOM 0 HD13 LEU A 36 1.853 2.158 -1.466 1.00 2.23 H new ATOM 0 HD21 LEU A 36 2.839 0.232 0.794 1.00 23.32 H new ATOM 0 HD22 LEU A 36 2.403 -0.366 -0.824 1.00 23.32 H new ATOM 0 HD23 LEU A 36 4.013 -0.714 -0.151 1.00 23.32 H new ATOM 529 N ARG A 37 6.233 0.782 -4.637 1.00 31.12 N ATOM 530 CA ARG A 37 6.531 0.718 -6.088 1.00 24.12 C ATOM 531 C ARG A 37 7.610 -0.351 -6.435 1.00 53.13 C ATOM 532 O ARG A 37 7.612 -0.896 -7.540 1.00 61.23 O ATOM 533 CB ARG A 37 6.973 2.124 -6.560 1.00 4.31 C ATOM 534 CG ARG A 37 7.004 2.304 -8.088 1.00 43.52 C ATOM 535 CD ARG A 37 7.357 3.736 -8.504 1.00 53.13 C ATOM 536 NE ARG A 37 8.717 4.132 -8.077 1.00 41.35 N ATOM 537 CZ ARG A 37 9.223 5.347 -8.173 1.00 25.44 C ATOM 538 NH1 ARG A 37 8.527 6.331 -8.634 1.00 3.12 N ATOM 539 NH2 ARG A 37 10.433 5.571 -7.796 1.00 54.45 N ATOM 0 H ARG A 37 6.415 1.702 -4.235 1.00 31.12 H new ATOM 0 HA ARG A 37 5.627 0.409 -6.613 1.00 24.12 H new ATOM 0 HB2 ARG A 37 6.298 2.866 -6.133 1.00 4.31 H new ATOM 0 HB3 ARG A 37 7.966 2.331 -6.162 1.00 4.31 H new ATOM 0 HG2 ARG A 37 7.731 1.615 -8.517 1.00 43.52 H new ATOM 0 HG3 ARG A 37 6.031 2.038 -8.502 1.00 43.52 H new ATOM 0 HD2 ARG A 37 7.280 3.825 -9.588 1.00 53.13 H new ATOM 0 HD3 ARG A 37 6.630 4.425 -8.075 1.00 53.13 H new ATOM 0 HE ARG A 37 9.312 3.407 -7.676 1.00 41.35 H new ATOM 0 HH11 ARG A 37 7.564 6.178 -8.934 1.00 3.12 H new ATOM 0 HH12 ARG A 37 8.940 7.261 -8.699 1.00 3.12 H new ATOM 0 HH21 ARG A 37 11.000 4.810 -7.423 1.00 54.45 H new ATOM 0 HH22 ARG A 37 10.825 6.510 -7.870 1.00 54.45 H new ATOM 553 N GLU A 38 8.506 -0.653 -5.468 1.00 52.55 N ATOM 554 CA GLU A 38 9.572 -1.683 -5.642 1.00 34.44 C ATOM 555 C GLU A 38 8.969 -3.103 -5.657 1.00 72.42 C ATOM 556 O GLU A 38 9.372 -3.964 -6.452 1.00 13.33 O ATOM 557 CB GLU A 38 10.640 -1.583 -4.511 1.00 22.52 C ATOM 558 CG GLU A 38 11.442 -0.267 -4.476 1.00 41.21 C ATOM 559 CD GLU A 38 12.293 -0.020 -5.735 1.00 0.45 C ATOM 560 OE1 GLU A 38 11.794 0.592 -6.706 1.00 74.01 O ATOM 561 OE2 GLU A 38 13.476 -0.419 -5.753 1.00 42.43 O ATOM 0 H GLU A 38 8.517 -0.200 -4.554 1.00 52.55 H new ATOM 0 HA GLU A 38 10.055 -1.492 -6.600 1.00 34.44 H new ATOM 0 HB2 GLU A 38 10.141 -1.711 -3.550 1.00 22.52 H new ATOM 0 HB3 GLU A 38 11.339 -2.412 -4.620 1.00 22.52 H new ATOM 0 HG2 GLU A 38 10.750 0.565 -4.349 1.00 41.21 H new ATOM 0 HG3 GLU A 38 12.096 -0.275 -3.604 1.00 41.21 H new ATOM 568 N LEU A 39 7.998 -3.319 -4.759 1.00 12.22 N ATOM 569 CA LEU A 39 7.320 -4.618 -4.583 1.00 12.31 C ATOM 570 C LEU A 39 6.204 -4.826 -5.635 1.00 51.34 C ATOM 571 O LEU A 39 5.837 -5.969 -5.929 1.00 25.23 O ATOM 572 CB LEU A 39 6.759 -4.700 -3.136 1.00 4.44 C ATOM 573 CG LEU A 39 7.814 -4.455 -1.998 1.00 21.12 C ATOM 574 CD1 LEU A 39 7.161 -4.454 -0.595 1.00 75.24 C ATOM 575 CD2 LEU A 39 8.986 -5.468 -2.078 1.00 43.01 C ATOM 0 H LEU A 39 7.656 -2.594 -4.128 1.00 12.22 H new ATOM 0 HA LEU A 39 8.041 -5.421 -4.736 1.00 12.31 H new ATOM 0 HB2 LEU A 39 5.958 -3.968 -3.031 1.00 4.44 H new ATOM 0 HB3 LEU A 39 6.313 -5.684 -2.991 1.00 4.44 H new ATOM 0 HG LEU A 39 8.230 -3.460 -2.159 1.00 21.12 H new ATOM 0 HD11 LEU A 39 7.926 -4.281 0.162 1.00 75.24 H new ATOM 0 HD12 LEU A 39 6.413 -3.663 -0.542 1.00 75.24 H new ATOM 0 HD13 LEU A 39 6.683 -5.417 -0.415 1.00 75.24 H new ATOM 0 HD21 LEU A 39 9.696 -5.268 -1.275 1.00 43.01 H new ATOM 0 HD22 LEU A 39 8.599 -6.482 -1.975 1.00 43.01 H new ATOM 0 HD23 LEU A 39 9.489 -5.368 -3.040 1.00 43.01 H new ATOM 587 N VAL A 40 5.677 -3.712 -6.197 1.00 51.15 N ATOM 588 CA VAL A 40 4.620 -3.738 -7.242 1.00 44.41 C ATOM 589 C VAL A 40 5.250 -3.724 -8.670 1.00 31.33 C ATOM 590 O VAL A 40 5.801 -2.697 -9.090 1.00 50.32 O ATOM 591 CB VAL A 40 3.623 -2.514 -7.096 1.00 25.34 C ATOM 592 CG1 VAL A 40 2.474 -2.571 -8.144 1.00 41.13 C ATOM 593 CG2 VAL A 40 3.064 -2.436 -5.656 1.00 51.15 C ATOM 0 H VAL A 40 5.971 -2.770 -5.940 1.00 51.15 H new ATOM 0 HA VAL A 40 4.058 -4.662 -7.103 1.00 44.41 H new ATOM 0 HB VAL A 40 4.188 -1.604 -7.295 1.00 25.34 H new ATOM 0 HG11 VAL A 40 1.815 -1.714 -8.008 1.00 41.13 H new ATOM 0 HG12 VAL A 40 2.896 -2.548 -9.149 1.00 41.13 H new ATOM 0 HG13 VAL A 40 1.905 -3.491 -8.011 1.00 41.13 H new ATOM 0 HG21 VAL A 40 2.382 -1.590 -5.576 1.00 51.15 H new ATOM 0 HG22 VAL A 40 2.529 -3.357 -5.423 1.00 51.15 H new ATOM 0 HG23 VAL A 40 3.887 -2.307 -4.953 1.00 51.15 H new ATOM 603 N PRO A 41 5.189 -4.863 -9.442 1.00 43.24 N ATOM 604 CA PRO A 41 5.663 -4.902 -10.852 1.00 64.43 C ATOM 605 C PRO A 41 4.602 -4.388 -11.865 1.00 22.21 C ATOM 606 O PRO A 41 4.895 -4.252 -13.060 1.00 13.04 O ATOM 607 CB PRO A 41 5.952 -6.407 -11.053 1.00 42.51 C ATOM 608 CG PRO A 41 4.914 -7.098 -10.219 1.00 20.11 C ATOM 609 CD PRO A 41 4.693 -6.205 -9.009 1.00 33.13 C ATOM 0 HA PRO A 41 6.521 -4.252 -11.027 1.00 64.43 H new ATOM 0 HB2 PRO A 41 5.873 -6.691 -12.102 1.00 42.51 H new ATOM 0 HB3 PRO A 41 6.960 -6.665 -10.728 1.00 42.51 H new ATOM 0 HG2 PRO A 41 3.989 -7.233 -10.779 1.00 20.11 H new ATOM 0 HG3 PRO A 41 5.252 -8.089 -9.917 1.00 20.11 H new ATOM 0 HD2 PRO A 41 3.640 -6.168 -8.729 1.00 33.13 H new ATOM 0 HD3 PRO A 41 5.241 -6.570 -8.140 1.00 33.13 H new ATOM 617 N GLY A 42 3.375 -4.092 -11.368 1.00 43.54 N ATOM 618 CA GLY A 42 2.258 -3.612 -12.207 1.00 73.54 C ATOM 619 C GLY A 42 2.278 -2.098 -12.443 1.00 44.11 C ATOM 620 O GLY A 42 1.264 -1.410 -12.250 1.00 63.33 O ATOM 0 H GLY A 42 3.137 -4.180 -10.380 1.00 43.54 H new ATOM 0 HA2 GLY A 42 2.292 -4.122 -13.170 1.00 73.54 H new ATOM 0 HA3 GLY A 42 1.315 -3.886 -11.734 1.00 73.54 H new ATOM 624 N VAL A 43 3.452 -1.583 -12.861 1.00 42.31 N ATOM 625 CA VAL A 43 3.657 -0.158 -13.194 1.00 34.20 C ATOM 626 C VAL A 43 3.877 -0.003 -14.726 1.00 71.23 C ATOM 627 O VAL A 43 4.885 -0.486 -15.250 1.00 53.21 O ATOM 628 CB VAL A 43 4.889 0.440 -12.403 1.00 54.13 C ATOM 629 CG1 VAL A 43 5.134 1.931 -12.768 1.00 54.11 C ATOM 630 CG2 VAL A 43 4.698 0.255 -10.870 1.00 5.24 C ATOM 0 H VAL A 43 4.292 -2.149 -12.978 1.00 42.31 H new ATOM 0 HA VAL A 43 2.766 0.396 -12.898 1.00 34.20 H new ATOM 0 HB VAL A 43 5.779 -0.113 -12.702 1.00 54.13 H new ATOM 0 HG11 VAL A 43 5.988 2.308 -12.205 1.00 54.11 H new ATOM 0 HG12 VAL A 43 5.337 2.016 -13.836 1.00 54.11 H new ATOM 0 HG13 VAL A 43 4.249 2.517 -12.519 1.00 54.11 H new ATOM 0 HG21 VAL A 43 5.556 0.673 -10.343 1.00 5.24 H new ATOM 0 HG22 VAL A 43 3.791 0.769 -10.552 1.00 5.24 H new ATOM 0 HG23 VAL A 43 4.613 -0.807 -10.639 1.00 5.24 H new ATOM 640 N PRO A 44 2.924 0.640 -15.479 1.00 61.32 N ATOM 641 CA PRO A 44 3.080 0.876 -16.938 1.00 53.33 C ATOM 642 C PRO A 44 4.188 1.927 -17.239 1.00 31.22 C ATOM 643 O PRO A 44 4.120 3.059 -16.750 1.00 64.32 O ATOM 644 CB PRO A 44 1.669 1.374 -17.386 1.00 62.23 C ATOM 645 CG PRO A 44 0.754 1.088 -16.224 1.00 33.12 C ATOM 646 CD PRO A 44 1.623 1.172 -14.989 1.00 30.04 C ATOM 0 HA PRO A 44 3.397 -0.018 -17.475 1.00 53.33 H new ATOM 0 HB2 PRO A 44 1.685 2.438 -17.621 1.00 62.23 H new ATOM 0 HB3 PRO A 44 1.336 0.854 -18.285 1.00 62.23 H new ATOM 0 HG2 PRO A 44 -0.060 1.811 -16.180 1.00 33.12 H new ATOM 0 HG3 PRO A 44 0.300 0.102 -16.317 1.00 33.12 H new ATOM 0 HD2 PRO A 44 1.714 2.195 -14.624 1.00 30.04 H new ATOM 0 HD3 PRO A 44 1.223 0.576 -14.169 1.00 30.04 H new ATOM 654 N ARG A 45 5.206 1.536 -18.039 1.00 1.15 N ATOM 655 CA ARG A 45 6.367 2.403 -18.367 1.00 3.21 C ATOM 656 C ARG A 45 5.950 3.543 -19.339 1.00 51.30 C ATOM 657 O ARG A 45 5.488 3.283 -20.455 1.00 45.54 O ATOM 658 CB ARG A 45 7.542 1.564 -18.967 1.00 22.44 C ATOM 659 CG ARG A 45 8.328 0.673 -17.956 1.00 41.51 C ATOM 660 CD ARG A 45 7.507 -0.482 -17.347 1.00 50.50 C ATOM 661 NE ARG A 45 8.318 -1.298 -16.425 1.00 3.22 N ATOM 662 CZ ARG A 45 7.899 -2.343 -15.744 1.00 42.14 C ATOM 663 NH1 ARG A 45 6.659 -2.715 -15.762 1.00 60.33 N ATOM 664 NH2 ARG A 45 8.742 -2.999 -15.018 1.00 5.01 N ATOM 0 H ARG A 45 5.249 0.615 -18.475 1.00 1.15 H new ATOM 0 HA ARG A 45 6.717 2.858 -17.441 1.00 3.21 H new ATOM 0 HB2 ARG A 45 7.141 0.922 -19.752 1.00 22.44 H new ATOM 0 HB3 ARG A 45 8.245 2.248 -19.442 1.00 22.44 H new ATOM 0 HG2 ARG A 45 9.199 0.256 -18.460 1.00 41.51 H new ATOM 0 HG3 ARG A 45 8.699 1.303 -17.148 1.00 41.51 H new ATOM 0 HD2 ARG A 45 6.647 -0.076 -16.814 1.00 50.50 H new ATOM 0 HD3 ARG A 45 7.118 -1.113 -18.146 1.00 50.50 H new ATOM 0 HE ARG A 45 9.294 -1.027 -16.304 1.00 3.22 H new ATOM 0 HH11 ARG A 45 5.978 -2.194 -16.314 1.00 60.33 H new ATOM 0 HH12 ARG A 45 6.363 -3.529 -15.224 1.00 60.33 H new ATOM 0 HH21 ARG A 45 9.718 -2.705 -14.978 1.00 5.01 H new ATOM 0 HH22 ARG A 45 8.432 -3.811 -14.485 1.00 5.01 H new ATOM 678 N GLY A 46 6.116 4.803 -18.887 1.00 53.33 N ATOM 679 CA GLY A 46 5.713 5.996 -19.662 1.00 40.22 C ATOM 680 C GLY A 46 4.488 6.709 -19.075 1.00 45.02 C ATOM 681 O GLY A 46 4.213 7.858 -19.431 1.00 32.33 O ATOM 0 H GLY A 46 6.530 5.022 -17.981 1.00 53.33 H new ATOM 0 HA2 GLY A 46 6.548 6.695 -19.702 1.00 40.22 H new ATOM 0 HA3 GLY A 46 5.496 5.699 -20.688 1.00 40.22 H new ATOM 685 N THR A 47 3.758 6.016 -18.175 1.00 21.12 N ATOM 686 CA THR A 47 2.544 6.552 -17.505 1.00 24.42 C ATOM 687 C THR A 47 2.887 7.611 -16.433 1.00 62.05 C ATOM 688 O THR A 47 2.303 8.703 -16.440 1.00 22.11 O ATOM 689 CB THR A 47 1.714 5.382 -16.858 1.00 63.20 C ATOM 690 OG1 THR A 47 1.215 4.528 -17.896 1.00 22.21 O ATOM 691 CG2 THR A 47 0.533 5.866 -15.978 1.00 41.32 C ATOM 0 H THR A 47 3.991 5.065 -17.889 1.00 21.12 H new ATOM 0 HA THR A 47 1.945 7.043 -18.272 1.00 24.42 H new ATOM 0 HB THR A 47 2.393 4.845 -16.196 1.00 63.20 H new ATOM 0 HG1 THR A 47 0.369 4.125 -17.609 1.00 22.21 H new ATOM 0 HG21 THR A 47 0.008 5.004 -15.567 1.00 41.32 H new ATOM 0 HG22 THR A 47 0.915 6.481 -15.163 1.00 41.32 H new ATOM 0 HG23 THR A 47 -0.156 6.454 -16.585 1.00 41.32 H new ATOM 699 N GLN A 48 3.844 7.265 -15.537 1.00 22.41 N ATOM 700 CA GLN A 48 4.207 8.053 -14.323 1.00 4.15 C ATOM 701 C GLN A 48 3.058 8.057 -13.268 1.00 3.33 C ATOM 702 O GLN A 48 1.896 8.339 -13.582 1.00 34.13 O ATOM 703 CB GLN A 48 4.646 9.509 -14.668 1.00 2.32 C ATOM 704 CG GLN A 48 5.131 10.347 -13.464 1.00 22.11 C ATOM 705 CD GLN A 48 5.492 11.787 -13.842 1.00 40.24 C ATOM 706 OE1 GLN A 48 4.665 12.693 -13.770 1.00 23.53 O ATOM 707 NE2 GLN A 48 6.718 12.001 -14.282 1.00 44.35 N ATOM 0 H GLN A 48 4.398 6.415 -15.636 1.00 22.41 H new ATOM 0 HA GLN A 48 5.067 7.550 -13.881 1.00 4.15 H new ATOM 0 HB2 GLN A 48 5.446 9.466 -15.407 1.00 2.32 H new ATOM 0 HB3 GLN A 48 3.807 10.024 -15.136 1.00 2.32 H new ATOM 0 HG2 GLN A 48 4.352 10.362 -12.702 1.00 22.11 H new ATOM 0 HG3 GLN A 48 6.002 9.865 -13.020 1.00 22.11 H new ATOM 0 HE21 GLN A 48 7.384 11.230 -14.331 1.00 44.35 H new ATOM 0 HE22 GLN A 48 6.999 12.937 -14.573 1.00 44.35 H new ATOM 716 N LEU A 49 3.412 7.756 -12.007 1.00 3.33 N ATOM 717 CA LEU A 49 2.437 7.630 -10.896 1.00 11.41 C ATOM 718 C LEU A 49 2.568 8.804 -9.890 1.00 15.03 C ATOM 719 O LEU A 49 3.682 9.140 -9.468 1.00 74.11 O ATOM 720 CB LEU A 49 2.665 6.283 -10.153 1.00 4.45 C ATOM 721 CG LEU A 49 2.630 4.989 -11.030 1.00 52.21 C ATOM 722 CD1 LEU A 49 2.981 3.737 -10.190 1.00 24.33 C ATOM 723 CD2 LEU A 49 1.268 4.815 -11.747 1.00 61.41 C ATOM 0 H LEU A 49 4.378 7.592 -11.724 1.00 3.33 H new ATOM 0 HA LEU A 49 1.434 7.658 -11.322 1.00 11.41 H new ATOM 0 HB2 LEU A 49 3.632 6.329 -9.651 1.00 4.45 H new ATOM 0 HB3 LEU A 49 1.907 6.189 -9.376 1.00 4.45 H new ATOM 0 HG LEU A 49 3.390 5.102 -11.803 1.00 52.21 H new ATOM 0 HD11 LEU A 49 2.949 2.852 -10.825 1.00 24.33 H new ATOM 0 HD12 LEU A 49 3.982 3.848 -9.772 1.00 24.33 H new ATOM 0 HD13 LEU A 49 2.260 3.628 -9.380 1.00 24.33 H new ATOM 0 HD21 LEU A 49 1.286 3.904 -12.346 1.00 61.41 H new ATOM 0 HD22 LEU A 49 0.472 4.746 -11.005 1.00 61.41 H new ATOM 0 HD23 LEU A 49 1.086 5.672 -12.396 1.00 61.41 H new ATOM 735 N SER A 50 1.431 9.423 -9.519 1.00 4.30 N ATOM 736 CA SER A 50 1.357 10.364 -8.362 1.00 62.31 C ATOM 737 C SER A 50 1.188 9.564 -7.049 1.00 54.32 C ATOM 738 O SER A 50 1.045 8.343 -7.093 1.00 21.02 O ATOM 739 CB SER A 50 0.166 11.348 -8.527 1.00 23.21 C ATOM 740 OG SER A 50 -1.092 10.691 -8.390 1.00 22.21 O ATOM 0 H SER A 50 0.541 9.294 -10.001 1.00 4.30 H new ATOM 0 HA SER A 50 2.282 10.939 -8.326 1.00 62.31 H new ATOM 0 HB2 SER A 50 0.244 12.140 -7.782 1.00 23.21 H new ATOM 0 HB3 SER A 50 0.222 11.824 -9.506 1.00 23.21 H new ATOM 0 HG SER A 50 -1.815 11.343 -8.498 1.00 22.21 H new ATOM 746 N GLN A 51 1.178 10.251 -5.885 1.00 71.23 N ATOM 747 CA GLN A 51 0.947 9.587 -4.573 1.00 41.41 C ATOM 748 C GLN A 51 -0.427 8.865 -4.533 1.00 33.32 C ATOM 749 O GLN A 51 -0.552 7.798 -3.927 1.00 74.34 O ATOM 750 CB GLN A 51 1.059 10.606 -3.409 1.00 54.41 C ATOM 751 CG GLN A 51 2.446 11.279 -3.279 1.00 33.31 C ATOM 752 CD GLN A 51 2.579 12.185 -2.043 1.00 45.13 C ATOM 753 OE1 GLN A 51 2.992 11.748 -0.972 1.00 32.51 O ATOM 754 NE2 GLN A 51 2.224 13.445 -2.175 1.00 73.13 N ATOM 0 H GLN A 51 1.326 11.258 -5.822 1.00 71.23 H new ATOM 0 HA GLN A 51 1.724 8.833 -4.449 1.00 41.41 H new ATOM 0 HB2 GLN A 51 0.305 11.381 -3.547 1.00 54.41 H new ATOM 0 HB3 GLN A 51 0.827 10.097 -2.473 1.00 54.41 H new ATOM 0 HG2 GLN A 51 3.213 10.506 -3.236 1.00 33.31 H new ATOM 0 HG3 GLN A 51 2.639 11.870 -4.174 1.00 33.31 H new ATOM 0 HE21 GLN A 51 1.884 13.788 -3.073 1.00 73.13 H new ATOM 0 HE22 GLN A 51 2.289 14.079 -1.379 1.00 73.13 H new ATOM 763 N VAL A 52 -1.439 9.449 -5.217 1.00 11.11 N ATOM 764 CA VAL A 52 -2.791 8.839 -5.336 1.00 43.05 C ATOM 765 C VAL A 52 -2.761 7.585 -6.248 1.00 71.03 C ATOM 766 O VAL A 52 -3.334 6.542 -5.912 1.00 73.44 O ATOM 767 CB VAL A 52 -3.853 9.852 -5.920 1.00 63.42 C ATOM 768 CG1 VAL A 52 -5.290 9.285 -5.802 1.00 23.13 C ATOM 769 CG2 VAL A 52 -3.749 11.237 -5.250 1.00 42.34 C ATOM 0 H VAL A 52 -1.347 10.344 -5.697 1.00 11.11 H new ATOM 0 HA VAL A 52 -3.086 8.559 -4.324 1.00 43.05 H new ATOM 0 HB VAL A 52 -3.627 9.983 -6.978 1.00 63.42 H new ATOM 0 HG11 VAL A 52 -6.000 10.004 -6.212 1.00 23.13 H new ATOM 0 HG12 VAL A 52 -5.359 8.350 -6.358 1.00 23.13 H new ATOM 0 HG13 VAL A 52 -5.524 9.102 -4.753 1.00 23.13 H new ATOM 0 HG21 VAL A 52 -4.496 11.906 -5.679 1.00 42.34 H new ATOM 0 HG22 VAL A 52 -3.924 11.137 -4.179 1.00 42.34 H new ATOM 0 HG23 VAL A 52 -2.754 11.649 -5.418 1.00 42.34 H new ATOM 779 N GLU A 53 -2.090 7.716 -7.412 1.00 52.01 N ATOM 780 CA GLU A 53 -1.970 6.628 -8.407 1.00 52.30 C ATOM 781 C GLU A 53 -1.244 5.396 -7.825 1.00 3.42 C ATOM 782 O GLU A 53 -1.634 4.265 -8.106 1.00 71.22 O ATOM 783 CB GLU A 53 -1.245 7.127 -9.686 1.00 44.40 C ATOM 784 CG GLU A 53 -1.939 8.297 -10.415 1.00 34.32 C ATOM 785 CD GLU A 53 -3.388 7.981 -10.834 1.00 4.24 C ATOM 786 OE1 GLU A 53 -3.576 7.168 -11.765 1.00 73.33 O ATOM 787 OE2 GLU A 53 -4.338 8.518 -10.219 1.00 41.14 O ATOM 0 H GLU A 53 -1.617 8.576 -7.688 1.00 52.01 H new ATOM 0 HA GLU A 53 -2.982 6.322 -8.674 1.00 52.30 H new ATOM 0 HB2 GLU A 53 -0.235 7.435 -9.416 1.00 44.40 H new ATOM 0 HB3 GLU A 53 -1.149 6.292 -10.380 1.00 44.40 H new ATOM 0 HG2 GLU A 53 -1.939 9.172 -9.765 1.00 34.32 H new ATOM 0 HG3 GLU A 53 -1.361 8.558 -11.301 1.00 34.32 H new ATOM 794 N ILE A 54 -0.203 5.641 -6.995 1.00 13.44 N ATOM 795 CA ILE A 54 0.541 4.571 -6.288 1.00 42.14 C ATOM 796 C ILE A 54 -0.391 3.795 -5.333 1.00 5.15 C ATOM 797 O ILE A 54 -0.402 2.569 -5.374 1.00 43.33 O ATOM 798 CB ILE A 54 1.790 5.132 -5.497 1.00 60.33 C ATOM 799 CG1 ILE A 54 2.839 5.754 -6.482 1.00 15.53 C ATOM 800 CG2 ILE A 54 2.447 4.033 -4.606 1.00 25.11 C ATOM 801 CD1 ILE A 54 4.024 6.444 -5.820 1.00 63.14 C ATOM 0 H ILE A 54 0.143 6.580 -6.797 1.00 13.44 H new ATOM 0 HA ILE A 54 0.916 3.889 -7.051 1.00 42.14 H new ATOM 0 HB ILE A 54 1.433 5.920 -4.834 1.00 60.33 H new ATOM 0 HG12 ILE A 54 3.216 4.964 -7.131 1.00 15.53 H new ATOM 0 HG13 ILE A 54 2.330 6.476 -7.121 1.00 15.53 H new ATOM 0 HG21 ILE A 54 3.302 4.456 -4.078 1.00 25.11 H new ATOM 0 HG22 ILE A 54 1.718 3.667 -3.883 1.00 25.11 H new ATOM 0 HG23 ILE A 54 2.781 3.207 -5.234 1.00 25.11 H new ATOM 0 HD11 ILE A 54 4.690 6.840 -6.587 1.00 63.14 H new ATOM 0 HD12 ILE A 54 3.666 7.261 -5.194 1.00 63.14 H new ATOM 0 HD13 ILE A 54 4.566 5.726 -5.205 1.00 63.14 H new ATOM 813 N LEU A 55 -1.193 4.521 -4.512 1.00 61.21 N ATOM 814 CA LEU A 55 -2.212 3.904 -3.609 1.00 64.44 C ATOM 815 C LEU A 55 -3.105 2.893 -4.368 1.00 74.23 C ATOM 816 O LEU A 55 -3.315 1.768 -3.915 1.00 23.30 O ATOM 817 CB LEU A 55 -3.118 4.996 -2.970 1.00 63.14 C ATOM 818 CG LEU A 55 -2.433 5.992 -1.983 1.00 30.34 C ATOM 819 CD1 LEU A 55 -3.422 7.090 -1.511 1.00 64.23 C ATOM 820 CD2 LEU A 55 -1.812 5.245 -0.784 1.00 21.30 C ATOM 0 H LEU A 55 -1.157 5.539 -4.454 1.00 61.21 H new ATOM 0 HA LEU A 55 -1.666 3.376 -2.827 1.00 64.44 H new ATOM 0 HB2 LEU A 55 -3.572 5.574 -3.775 1.00 63.14 H new ATOM 0 HB3 LEU A 55 -3.929 4.497 -2.440 1.00 63.14 H new ATOM 0 HG LEU A 55 -1.625 6.489 -2.521 1.00 30.34 H new ATOM 0 HD11 LEU A 55 -2.913 7.767 -0.825 1.00 64.23 H new ATOM 0 HD12 LEU A 55 -3.782 7.651 -2.374 1.00 64.23 H new ATOM 0 HD13 LEU A 55 -4.266 6.625 -1.002 1.00 64.23 H new ATOM 0 HD21 LEU A 55 -1.341 5.963 -0.112 1.00 21.30 H new ATOM 0 HD22 LEU A 55 -2.592 4.704 -0.248 1.00 21.30 H new ATOM 0 HD23 LEU A 55 -1.063 4.539 -1.143 1.00 21.30 H new ATOM 832 N GLN A 56 -3.572 3.321 -5.551 1.00 14.23 N ATOM 833 CA GLN A 56 -4.445 2.517 -6.429 1.00 71.12 C ATOM 834 C GLN A 56 -3.704 1.284 -7.026 1.00 21.23 C ATOM 835 O GLN A 56 -4.278 0.200 -7.084 1.00 72.14 O ATOM 836 CB GLN A 56 -5.026 3.430 -7.540 1.00 5.45 C ATOM 837 CG GLN A 56 -5.878 4.604 -6.994 1.00 25.23 C ATOM 838 CD GLN A 56 -6.368 5.575 -8.077 1.00 13.23 C ATOM 839 OE1 GLN A 56 -5.566 6.573 -8.383 1.00 31.43 O flip ATOM 840 NE2 GLN A 56 -7.449 5.420 -8.642 1.00 60.03 N flip ATOM 0 H GLN A 56 -3.354 4.242 -5.931 1.00 14.23 H new ATOM 0 HA GLN A 56 -5.263 2.113 -5.832 1.00 71.12 H new ATOM 0 HB2 GLN A 56 -4.206 3.833 -8.134 1.00 5.45 H new ATOM 0 HB3 GLN A 56 -5.639 2.828 -8.210 1.00 5.45 H new ATOM 0 HG2 GLN A 56 -6.741 4.198 -6.466 1.00 25.23 H new ATOM 0 HG3 GLN A 56 -5.289 5.158 -6.263 1.00 25.23 H new ATOM 0 HE21 GLN A 56 -8.051 4.638 -8.385 1.00 60.03 H new ATOM 0 HE22 GLN A 56 -7.744 6.074 -9.368 1.00 60.03 H new ATOM 849 N ARG A 57 -2.417 1.456 -7.432 1.00 72.35 N ATOM 850 CA ARG A 57 -1.583 0.345 -7.990 1.00 1.13 C ATOM 851 C ARG A 57 -1.261 -0.725 -6.925 1.00 54.34 C ATOM 852 O ARG A 57 -1.128 -1.908 -7.245 1.00 32.33 O ATOM 853 CB ARG A 57 -0.253 0.880 -8.604 1.00 44.42 C ATOM 854 CG ARG A 57 -0.385 1.888 -9.777 1.00 34.42 C ATOM 855 CD ARG A 57 -1.154 1.352 -11.012 1.00 44.24 C ATOM 856 NE ARG A 57 -2.610 1.243 -10.772 1.00 10.50 N ATOM 857 CZ ARG A 57 -3.511 2.166 -11.031 1.00 50.13 C ATOM 858 NH1 ARG A 57 -3.198 3.287 -11.589 1.00 71.13 N ATOM 859 NH2 ARG A 57 -4.746 1.945 -10.724 1.00 33.31 N ATOM 0 H ARG A 57 -1.931 2.351 -7.385 1.00 72.35 H new ATOM 0 HA ARG A 57 -2.177 -0.117 -8.778 1.00 1.13 H new ATOM 0 HB2 ARG A 57 0.322 1.355 -7.809 1.00 44.42 H new ATOM 0 HB3 ARG A 57 0.329 0.027 -8.952 1.00 44.42 H new ATOM 0 HG2 ARG A 57 -0.889 2.783 -9.413 1.00 34.42 H new ATOM 0 HG3 ARG A 57 0.614 2.190 -10.092 1.00 34.42 H new ATOM 0 HD2 ARG A 57 -0.978 2.013 -11.860 1.00 44.24 H new ATOM 0 HD3 ARG A 57 -0.760 0.373 -11.284 1.00 44.24 H new ATOM 0 HE ARG A 57 -2.947 0.369 -10.367 1.00 10.50 H new ATOM 0 HH11 ARG A 57 -2.228 3.477 -11.842 1.00 71.13 H new ATOM 0 HH12 ARG A 57 -3.920 3.982 -11.777 1.00 71.13 H new ATOM 0 HH21 ARG A 57 -5.013 1.063 -10.286 1.00 33.31 H new ATOM 0 HH22 ARG A 57 -5.455 2.652 -10.919 1.00 33.31 H new ATOM 873 N VAL A 58 -1.120 -0.279 -5.667 1.00 70.21 N ATOM 874 CA VAL A 58 -0.907 -1.169 -4.514 1.00 50.43 C ATOM 875 C VAL A 58 -2.182 -1.995 -4.217 1.00 5.05 C ATOM 876 O VAL A 58 -2.086 -3.188 -3.939 1.00 44.35 O ATOM 877 CB VAL A 58 -0.464 -0.352 -3.245 1.00 21.31 C ATOM 878 CG1 VAL A 58 -0.344 -1.250 -1.995 1.00 15.22 C ATOM 879 CG2 VAL A 58 0.866 0.387 -3.516 1.00 71.54 C ATOM 0 H VAL A 58 -1.150 0.710 -5.420 1.00 70.21 H new ATOM 0 HA VAL A 58 -0.103 -1.860 -4.766 1.00 50.43 H new ATOM 0 HB VAL A 58 -1.241 0.385 -3.041 1.00 21.31 H new ATOM 0 HG11 VAL A 58 -0.036 -0.646 -1.141 1.00 15.22 H new ATOM 0 HG12 VAL A 58 -1.309 -1.711 -1.784 1.00 15.22 H new ATOM 0 HG13 VAL A 58 0.398 -2.028 -2.176 1.00 15.22 H new ATOM 0 HG21 VAL A 58 1.158 0.947 -2.628 1.00 71.54 H new ATOM 0 HG22 VAL A 58 1.642 -0.338 -3.759 1.00 71.54 H new ATOM 0 HG23 VAL A 58 0.737 1.074 -4.352 1.00 71.54 H new ATOM 889 N ILE A 59 -3.368 -1.352 -4.301 1.00 12.24 N ATOM 890 CA ILE A 59 -4.670 -2.055 -4.171 1.00 62.33 C ATOM 891 C ILE A 59 -4.792 -3.176 -5.236 1.00 41.21 C ATOM 892 O ILE A 59 -5.071 -4.322 -4.887 1.00 41.31 O ATOM 893 CB ILE A 59 -5.887 -1.050 -4.285 1.00 43.25 C ATOM 894 CG1 ILE A 59 -5.850 -0.003 -3.120 1.00 60.13 C ATOM 895 CG2 ILE A 59 -7.252 -1.795 -4.310 1.00 1.55 C ATOM 896 CD1 ILE A 59 -6.886 1.106 -3.220 1.00 21.14 C ATOM 0 H ILE A 59 -3.453 -0.348 -4.458 1.00 12.24 H new ATOM 0 HA ILE A 59 -4.704 -2.507 -3.180 1.00 62.33 H new ATOM 0 HB ILE A 59 -5.786 -0.521 -5.233 1.00 43.25 H new ATOM 0 HG12 ILE A 59 -5.992 -0.528 -2.175 1.00 60.13 H new ATOM 0 HG13 ILE A 59 -4.858 0.448 -3.088 1.00 60.13 H new ATOM 0 HG21 ILE A 59 -8.061 -1.069 -4.389 1.00 1.55 H new ATOM 0 HG22 ILE A 59 -7.283 -2.468 -5.167 1.00 1.55 H new ATOM 0 HG23 ILE A 59 -7.369 -2.371 -3.392 1.00 1.55 H new ATOM 0 HD11 ILE A 59 -6.781 1.780 -2.370 1.00 21.14 H new ATOM 0 HD12 ILE A 59 -6.735 1.663 -4.145 1.00 21.14 H new ATOM 0 HD13 ILE A 59 -7.886 0.671 -3.217 1.00 21.14 H new ATOM 908 N ASP A 60 -4.532 -2.823 -6.516 1.00 52.23 N ATOM 909 CA ASP A 60 -4.522 -3.787 -7.652 1.00 71.15 C ATOM 910 C ASP A 60 -3.569 -4.981 -7.389 1.00 2.41 C ATOM 911 O ASP A 60 -3.940 -6.141 -7.586 1.00 54.44 O ATOM 912 CB ASP A 60 -4.105 -3.069 -8.970 1.00 61.10 C ATOM 913 CG ASP A 60 -5.073 -1.956 -9.402 1.00 52.11 C ATOM 914 OD1 ASP A 60 -6.300 -2.193 -9.404 1.00 22.11 O ATOM 915 OD2 ASP A 60 -4.614 -0.853 -9.777 1.00 34.10 O ATOM 0 H ASP A 60 -4.323 -1.864 -6.795 1.00 52.23 H new ATOM 0 HA ASP A 60 -5.535 -4.178 -7.751 1.00 71.15 H new ATOM 0 HB2 ASP A 60 -3.110 -2.643 -8.842 1.00 61.10 H new ATOM 0 HB3 ASP A 60 -4.035 -3.807 -9.769 1.00 61.10 H new ATOM 920 N TYR A 61 -2.358 -4.653 -6.913 1.00 51.20 N ATOM 921 CA TYR A 61 -1.302 -5.631 -6.567 1.00 31.43 C ATOM 922 C TYR A 61 -1.779 -6.656 -5.510 1.00 40.53 C ATOM 923 O TYR A 61 -1.589 -7.865 -5.677 1.00 64.14 O ATOM 924 CB TYR A 61 -0.047 -4.874 -6.053 1.00 53.41 C ATOM 925 CG TYR A 61 1.093 -5.781 -5.552 1.00 53.30 C ATOM 926 CD1 TYR A 61 1.916 -6.462 -6.450 1.00 30.15 C ATOM 927 CD2 TYR A 61 1.340 -5.963 -4.185 1.00 42.30 C ATOM 928 CE1 TYR A 61 2.934 -7.281 -6.012 1.00 34.50 C ATOM 929 CE2 TYR A 61 2.363 -6.783 -3.752 1.00 72.05 C ATOM 930 CZ TYR A 61 3.155 -7.438 -4.669 1.00 63.42 C ATOM 931 OH TYR A 61 4.182 -8.248 -4.244 1.00 34.24 O ATOM 0 H TYR A 61 -2.075 -3.686 -6.753 1.00 51.20 H new ATOM 0 HA TYR A 61 -1.055 -6.192 -7.468 1.00 31.43 H new ATOM 0 HB2 TYR A 61 0.335 -4.244 -6.857 1.00 53.41 H new ATOM 0 HB3 TYR A 61 -0.347 -4.210 -5.243 1.00 53.41 H new ATOM 0 HD1 TYR A 61 1.752 -6.345 -7.511 1.00 30.15 H new ATOM 0 HD2 TYR A 61 0.722 -5.455 -3.460 1.00 42.30 H new ATOM 0 HE1 TYR A 61 3.557 -7.799 -6.727 1.00 34.50 H new ATOM 0 HE2 TYR A 61 2.542 -6.911 -2.695 1.00 72.05 H new ATOM 0 HH TYR A 61 5.035 -7.894 -4.571 1.00 34.24 H new ATOM 941 N ILE A 62 -2.392 -6.153 -4.422 1.00 54.12 N ATOM 942 CA ILE A 62 -2.906 -7.004 -3.327 1.00 51.53 C ATOM 943 C ILE A 62 -4.113 -7.856 -3.813 1.00 35.30 C ATOM 944 O ILE A 62 -4.307 -8.981 -3.349 1.00 11.43 O ATOM 945 CB ILE A 62 -3.281 -6.148 -2.048 1.00 72.03 C ATOM 946 CG1 ILE A 62 -2.053 -5.290 -1.572 1.00 31.55 C ATOM 947 CG2 ILE A 62 -3.778 -7.047 -0.882 1.00 10.22 C ATOM 948 CD1 ILE A 62 -2.341 -4.330 -0.419 1.00 73.21 C ATOM 0 H ILE A 62 -2.545 -5.155 -4.276 1.00 54.12 H new ATOM 0 HA ILE A 62 -2.108 -7.685 -3.033 1.00 51.53 H new ATOM 0 HB ILE A 62 -4.094 -5.481 -2.334 1.00 72.03 H new ATOM 0 HG12 ILE A 62 -1.253 -5.966 -1.270 1.00 31.55 H new ATOM 0 HG13 ILE A 62 -1.682 -4.714 -2.420 1.00 31.55 H new ATOM 0 HG21 ILE A 62 -4.026 -6.424 -0.022 1.00 10.22 H new ATOM 0 HG22 ILE A 62 -4.664 -7.597 -1.199 1.00 10.22 H new ATOM 0 HG23 ILE A 62 -2.993 -7.751 -0.606 1.00 10.22 H new ATOM 0 HD11 ILE A 62 -1.432 -3.785 -0.164 1.00 73.21 H new ATOM 0 HD12 ILE A 62 -3.116 -3.624 -0.718 1.00 73.21 H new ATOM 0 HD13 ILE A 62 -2.680 -4.895 0.449 1.00 73.21 H new ATOM 960 N LEU A 63 -4.894 -7.330 -4.782 1.00 42.31 N ATOM 961 CA LEU A 63 -5.993 -8.093 -5.428 1.00 24.23 C ATOM 962 C LEU A 63 -5.445 -9.293 -6.255 1.00 44.32 C ATOM 963 O LEU A 63 -6.098 -10.335 -6.339 1.00 33.05 O ATOM 964 CB LEU A 63 -6.863 -7.160 -6.315 1.00 71.35 C ATOM 965 CG LEU A 63 -7.637 -6.023 -5.566 1.00 23.33 C ATOM 966 CD1 LEU A 63 -8.395 -5.110 -6.563 1.00 50.00 C ATOM 967 CD2 LEU A 63 -8.580 -6.599 -4.480 1.00 54.13 C ATOM 0 H LEU A 63 -4.786 -6.380 -5.137 1.00 42.31 H new ATOM 0 HA LEU A 63 -6.623 -8.500 -4.637 1.00 24.23 H new ATOM 0 HB2 LEU A 63 -6.219 -6.700 -7.065 1.00 71.35 H new ATOM 0 HB3 LEU A 63 -7.588 -7.773 -6.850 1.00 71.35 H new ATOM 0 HG LEU A 63 -6.901 -5.403 -5.053 1.00 23.33 H new ATOM 0 HD11 LEU A 63 -8.923 -4.330 -6.014 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -7.683 -4.652 -7.250 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -9.113 -5.705 -7.128 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -9.101 -5.782 -3.980 1.00 54.13 H new ATOM 0 HD22 LEU A 63 -9.308 -7.263 -4.946 1.00 54.13 H new ATOM 0 HD23 LEU A 63 -7.995 -7.157 -3.749 1.00 54.13 H new ATOM 979 N ASP A 64 -4.243 -9.128 -6.851 1.00 24.21 N ATOM 980 CA ASP A 64 -3.509 -10.234 -7.516 1.00 34.23 C ATOM 981 C ASP A 64 -3.026 -11.302 -6.499 1.00 60.12 C ATOM 982 O ASP A 64 -2.976 -12.493 -6.818 1.00 11.00 O ATOM 983 CB ASP A 64 -2.301 -9.678 -8.321 1.00 30.13 C ATOM 984 CG ASP A 64 -2.719 -8.939 -9.601 1.00 72.22 C ATOM 985 OD1 ASP A 64 -3.122 -9.615 -10.571 1.00 24.03 O ATOM 986 OD2 ASP A 64 -2.660 -7.691 -9.643 1.00 35.01 O ATOM 0 H ASP A 64 -3.755 -8.233 -6.886 1.00 24.21 H new ATOM 0 HA ASP A 64 -4.204 -10.719 -8.201 1.00 34.23 H new ATOM 0 HB2 ASP A 64 -1.731 -8.999 -7.687 1.00 30.13 H new ATOM 0 HB3 ASP A 64 -1.637 -10.502 -8.584 1.00 30.13 H new ATOM 991 N LEU A 65 -2.653 -10.858 -5.281 1.00 71.34 N ATOM 992 CA LEU A 65 -2.197 -11.761 -4.186 1.00 62.31 C ATOM 993 C LEU A 65 -3.364 -12.620 -3.636 1.00 41.04 C ATOM 994 O LEU A 65 -3.175 -13.768 -3.221 1.00 64.14 O ATOM 995 CB LEU A 65 -1.562 -10.932 -3.033 1.00 51.42 C ATOM 996 CG LEU A 65 -0.353 -10.017 -3.418 1.00 21.33 C ATOM 997 CD1 LEU A 65 0.203 -9.272 -2.181 1.00 23.22 C ATOM 998 CD2 LEU A 65 0.759 -10.813 -4.149 1.00 63.11 C ATOM 0 H LEU A 65 -2.657 -9.871 -5.023 1.00 71.34 H new ATOM 0 HA LEU A 65 -1.448 -12.434 -4.602 1.00 62.31 H new ATOM 0 HB2 LEU A 65 -2.339 -10.305 -2.595 1.00 51.42 H new ATOM 0 HB3 LEU A 65 -1.234 -11.623 -2.256 1.00 51.42 H new ATOM 0 HG LEU A 65 -0.722 -9.266 -4.117 1.00 21.33 H new ATOM 0 HD11 LEU A 65 1.042 -8.644 -2.481 1.00 23.22 H new ATOM 0 HD12 LEU A 65 -0.580 -8.649 -1.749 1.00 23.22 H new ATOM 0 HD13 LEU A 65 0.539 -9.997 -1.440 1.00 23.22 H new ATOM 0 HD21 LEU A 65 1.581 -10.143 -4.400 1.00 63.11 H new ATOM 0 HD22 LEU A 65 1.124 -11.608 -3.499 1.00 63.11 H new ATOM 0 HD23 LEU A 65 0.354 -11.248 -5.063 1.00 63.11 H new ATOM 1010 N GLN A 66 -4.562 -12.031 -3.640 1.00 13.31 N ATOM 1011 CA GLN A 66 -5.801 -12.678 -3.150 1.00 44.14 C ATOM 1012 C GLN A 66 -6.514 -13.453 -4.278 1.00 45.14 C ATOM 1013 O GLN A 66 -6.389 -13.110 -5.455 1.00 34.43 O ATOM 1014 CB GLN A 66 -6.755 -11.600 -2.571 1.00 4.12 C ATOM 1015 CG GLN A 66 -6.147 -10.762 -1.425 1.00 63.25 C ATOM 1016 CD GLN A 66 -7.029 -9.580 -1.015 1.00 55.25 C ATOM 1017 OE1 GLN A 66 -6.895 -8.471 -1.717 1.00 61.25 O flip ATOM 1018 NE2 GLN A 66 -7.848 -9.674 -0.107 1.00 34.20 N flip ATOM 0 H GLN A 66 -4.710 -11.083 -3.985 1.00 13.31 H new ATOM 0 HA GLN A 66 -5.529 -13.390 -2.371 1.00 44.14 H new ATOM 0 HB2 GLN A 66 -7.057 -10.929 -3.375 1.00 4.12 H new ATOM 0 HB3 GLN A 66 -7.659 -12.089 -2.208 1.00 4.12 H new ATOM 0 HG2 GLN A 66 -5.984 -11.404 -0.559 1.00 63.25 H new ATOM 0 HG3 GLN A 66 -5.170 -10.389 -1.733 1.00 63.25 H new ATOM 0 HE21 GLN A 66 -7.929 -10.544 0.419 1.00 34.20 H new ATOM 0 HE22 GLN A 66 -8.448 -8.882 0.123 1.00 34.20 H new ATOM 1431 N ASP B 27 -12.039 13.005 -0.558 1.00 4.23 N ATOM 1432 CA ASP B 27 -10.684 12.648 -1.014 1.00 42.24 C ATOM 1433 C ASP B 27 -10.574 11.242 -1.668 1.00 74.34 C ATOM 1434 O ASP B 27 -10.747 10.210 -1.015 1.00 43.51 O ATOM 1435 CB ASP B 27 -9.652 12.828 0.132 1.00 65.42 C ATOM 1436 CG ASP B 27 -9.654 14.243 0.755 1.00 34.13 C ATOM 1437 OD1 ASP B 27 -10.120 15.206 0.097 1.00 43.13 O ATOM 1438 OD2 ASP B 27 -9.182 14.393 1.899 1.00 35.34 O ATOM 0 HA ASP B 27 -10.448 13.347 -1.816 1.00 42.24 H new ATOM 0 HB2 ASP B 27 -9.859 12.097 0.913 1.00 65.42 H new ATOM 0 HB3 ASP B 27 -8.655 12.611 -0.252 1.00 65.42 H new ATOM 1443 N ASP B 28 -10.247 11.233 -2.970 1.00 42.22 N ATOM 1444 CA ASP B 28 -9.882 10.007 -3.728 1.00 65.42 C ATOM 1445 C ASP B 28 -8.774 9.197 -2.979 1.00 1.32 C ATOM 1446 O ASP B 28 -8.778 7.960 -2.980 1.00 41.52 O ATOM 1447 CB ASP B 28 -9.393 10.419 -5.151 1.00 54.35 C ATOM 1448 CG ASP B 28 -9.434 9.283 -6.184 1.00 62.42 C ATOM 1449 OD1 ASP B 28 -8.522 8.428 -6.203 1.00 51.12 O ATOM 1450 OD2 ASP B 28 -10.406 9.220 -6.969 1.00 51.44 O ATOM 0 H ASP B 28 -10.226 12.079 -3.539 1.00 42.22 H new ATOM 0 HA ASP B 28 -10.758 9.364 -3.814 1.00 65.42 H new ATOM 0 HB2 ASP B 28 -10.009 11.244 -5.510 1.00 54.35 H new ATOM 0 HB3 ASP B 28 -8.371 10.792 -5.078 1.00 54.35 H new ATOM 1455 N MET B 29 -7.867 9.945 -2.303 1.00 14.01 N ATOM 1456 CA MET B 29 -6.792 9.377 -1.456 1.00 21.20 C ATOM 1457 C MET B 29 -7.370 8.619 -0.233 1.00 13.12 C ATOM 1458 O MET B 29 -6.931 7.516 0.074 1.00 24.54 O ATOM 1459 CB MET B 29 -5.839 10.498 -0.947 1.00 13.41 C ATOM 1460 CG MET B 29 -5.304 11.434 -2.039 1.00 10.54 C ATOM 1461 SD MET B 29 -3.767 12.269 -1.575 1.00 11.02 S ATOM 1462 CE MET B 29 -2.617 10.888 -1.506 1.00 61.35 C ATOM 0 H MET B 29 -7.862 10.965 -2.331 1.00 14.01 H new ATOM 0 HA MET B 29 -6.237 8.675 -2.078 1.00 21.20 H new ATOM 0 HB2 MET B 29 -6.368 11.095 -0.204 1.00 13.41 H new ATOM 0 HB3 MET B 29 -4.993 10.034 -0.440 1.00 13.41 H new ATOM 0 HG2 MET B 29 -5.137 10.860 -2.950 1.00 10.54 H new ATOM 0 HG3 MET B 29 -6.061 12.183 -2.269 1.00 10.54 H new ATOM 0 HE1 MET B 29 -1.599 11.255 -1.640 1.00 61.35 H new ATOM 0 HE2 MET B 29 -2.700 10.393 -0.538 1.00 61.35 H new ATOM 0 HE3 MET B 29 -2.854 10.177 -2.298 1.00 61.35 H new ATOM 1472 N ASN B 30 -8.359 9.249 0.446 1.00 2.32 N ATOM 1473 CA ASN B 30 -9.000 8.720 1.684 1.00 30.12 C ATOM 1474 C ASN B 30 -9.731 7.375 1.438 1.00 23.31 C ATOM 1475 O ASN B 30 -9.629 6.456 2.255 1.00 11.44 O ATOM 1476 CB ASN B 30 -9.962 9.794 2.280 1.00 43.51 C ATOM 1477 CG ASN B 30 -10.921 9.271 3.362 1.00 53.13 C ATOM 1478 OD1 ASN B 30 -10.549 9.121 4.520 1.00 54.33 O ATOM 1479 ND2 ASN B 30 -12.168 9.021 2.996 1.00 33.31 N ATOM 0 H ASN B 30 -8.741 10.147 0.150 1.00 2.32 H new ATOM 0 HA ASN B 30 -8.214 8.510 2.409 1.00 30.12 H new ATOM 0 HB2 ASN B 30 -9.365 10.602 2.703 1.00 43.51 H new ATOM 0 HB3 ASN B 30 -10.551 10.224 1.470 1.00 43.51 H new ATOM 0 HD21 ASN B 30 -12.846 8.695 3.685 1.00 33.31 H new ATOM 0 HD22 ASN B 30 -12.451 9.154 2.025 1.00 33.31 H new ATOM 1486 N HIS B 31 -10.462 7.278 0.313 1.00 71.31 N ATOM 1487 CA HIS B 31 -11.140 6.016 -0.106 1.00 40.40 C ATOM 1488 C HIS B 31 -10.121 4.890 -0.417 1.00 73.43 C ATOM 1489 O HIS B 31 -10.379 3.712 -0.140 1.00 51.43 O ATOM 1490 CB HIS B 31 -12.056 6.265 -1.331 1.00 53.15 C ATOM 1491 CG HIS B 31 -13.296 7.080 -1.033 1.00 13.32 C ATOM 1492 ND1 HIS B 31 -13.427 8.410 -0.809 1.00 52.30 N flip ATOM 1493 CD2 HIS B 31 -14.543 6.500 -0.974 1.00 64.11 C flip ATOM 1494 CE1 HIS B 31 -14.760 8.654 -0.613 1.00 54.23 C flip ATOM 1495 NE2 HIS B 31 -15.389 7.478 -0.720 1.00 10.40 N flip ATOM 0 H HIS B 31 -10.605 8.056 -0.331 1.00 71.31 H new ATOM 0 HA HIS B 31 -11.754 5.686 0.732 1.00 40.40 H new ATOM 0 HB2 HIS B 31 -11.479 6.774 -2.103 1.00 53.15 H new ATOM 0 HB3 HIS B 31 -12.360 5.303 -1.743 1.00 53.15 H new ATOM 0 HD1 HIS B 31 -12.675 9.099 -0.790 1.00 52.30 H new ATOM 0 HD2 HIS B 31 -14.780 5.455 -1.109 1.00 64.11 H new ATOM 0 HE1 HIS B 31 -15.216 9.612 -0.411 1.00 54.23 H new ATOM 1503 N CYS B 32 -8.970 5.273 -0.998 1.00 32.01 N ATOM 1504 CA CYS B 32 -7.849 4.338 -1.256 1.00 20.42 C ATOM 1505 C CYS B 32 -7.180 3.866 0.067 1.00 52.30 C ATOM 1506 O CYS B 32 -6.837 2.691 0.203 1.00 21.22 O ATOM 1507 CB CYS B 32 -6.809 4.995 -2.191 1.00 11.21 C ATOM 1508 SG CYS B 32 -7.436 5.387 -3.848 1.00 40.22 S ATOM 0 H CYS B 32 -8.787 6.229 -1.301 1.00 32.01 H new ATOM 0 HA CYS B 32 -8.256 3.455 -1.748 1.00 20.42 H new ATOM 0 HB2 CYS B 32 -6.448 5.912 -1.726 1.00 11.21 H new ATOM 0 HB3 CYS B 32 -5.952 4.328 -2.288 1.00 11.21 H new ATOM 0 HG CYS B 32 -8.082 6.514 -3.812 1.00 40.22 H new ATOM 1514 N TYR B 33 -7.026 4.798 1.034 1.00 5.43 N ATOM 1515 CA TYR B 33 -6.475 4.506 2.385 1.00 34.42 C ATOM 1516 C TYR B 33 -7.407 3.585 3.206 1.00 0.43 C ATOM 1517 O TYR B 33 -6.931 2.767 4.003 1.00 13.20 O ATOM 1518 CB TYR B 33 -6.210 5.828 3.167 1.00 44.43 C ATOM 1519 CG TYR B 33 -4.870 6.517 2.845 1.00 5.33 C ATOM 1520 CD1 TYR B 33 -3.672 5.814 2.976 1.00 4.32 C ATOM 1521 CD2 TYR B 33 -4.791 7.862 2.471 1.00 62.21 C ATOM 1522 CE1 TYR B 33 -2.455 6.414 2.757 1.00 21.52 C ATOM 1523 CE2 TYR B 33 -3.567 8.470 2.236 1.00 50.33 C ATOM 1524 CZ TYR B 33 -2.403 7.740 2.384 1.00 51.05 C ATOM 1525 OH TYR B 33 -1.189 8.344 2.177 1.00 4.22 O ATOM 0 H TYR B 33 -7.280 5.777 0.903 1.00 5.43 H new ATOM 0 HA TYR B 33 -5.532 3.979 2.239 1.00 34.42 H new ATOM 0 HB2 TYR B 33 -7.020 6.526 2.956 1.00 44.43 H new ATOM 0 HB3 TYR B 33 -6.244 5.614 4.235 1.00 44.43 H new ATOM 0 HD1 TYR B 33 -3.702 4.772 3.257 1.00 4.32 H new ATOM 0 HD2 TYR B 33 -5.699 8.437 2.363 1.00 62.21 H new ATOM 0 HE1 TYR B 33 -1.543 5.849 2.877 1.00 21.52 H new ATOM 0 HE2 TYR B 33 -3.524 9.508 1.939 1.00 50.33 H new ATOM 0 HH TYR B 33 -0.871 8.139 1.273 1.00 4.22 H new ATOM 1535 N SER B 34 -8.729 3.752 3.007 1.00 43.21 N ATOM 1536 CA SER B 34 -9.761 2.869 3.605 1.00 45.34 C ATOM 1537 C SER B 34 -9.528 1.410 3.178 1.00 44.04 C ATOM 1538 O SER B 34 -9.426 0.518 4.016 1.00 14.01 O ATOM 1539 CB SER B 34 -11.185 3.315 3.175 1.00 71.42 C ATOM 1540 OG SER B 34 -12.196 2.468 3.726 1.00 70.34 O ATOM 0 H SER B 34 -9.115 4.499 2.430 1.00 43.21 H new ATOM 0 HA SER B 34 -9.682 2.944 4.689 1.00 45.34 H new ATOM 0 HB2 SER B 34 -11.357 4.342 3.497 1.00 71.42 H new ATOM 0 HB3 SER B 34 -11.256 3.305 2.087 1.00 71.42 H new ATOM 0 HG SER B 34 -12.193 1.608 3.257 1.00 70.34 H new ATOM 1546 N ARG B 35 -9.402 1.219 1.855 1.00 53.23 N ATOM 1547 CA ARG B 35 -9.164 -0.098 1.235 1.00 3.51 C ATOM 1548 C ARG B 35 -7.844 -0.729 1.687 1.00 1.23 C ATOM 1549 O ARG B 35 -7.819 -1.916 1.947 1.00 71.14 O ATOM 1550 CB ARG B 35 -9.214 0.029 -0.305 1.00 12.30 C ATOM 1551 CG ARG B 35 -10.625 0.353 -0.857 1.00 43.13 C ATOM 1552 CD ARG B 35 -11.452 -0.901 -1.229 1.00 40.12 C ATOM 1553 NE ARG B 35 -11.822 -1.733 -0.065 1.00 33.52 N ATOM 1554 CZ ARG B 35 -11.844 -3.052 -0.035 1.00 24.43 C ATOM 1555 NH1 ARG B 35 -11.368 -3.762 -1.010 1.00 53.10 N ATOM 1556 NH2 ARG B 35 -12.328 -3.659 0.990 1.00 4.30 N ATOM 0 H ARG B 35 -9.463 1.980 1.178 1.00 53.23 H new ATOM 0 HA ARG B 35 -9.958 -0.767 1.568 1.00 3.51 H new ATOM 0 HB2 ARG B 35 -8.522 0.811 -0.619 1.00 12.30 H new ATOM 0 HB3 ARG B 35 -8.865 -0.903 -0.749 1.00 12.30 H new ATOM 0 HG2 ARG B 35 -11.173 0.930 -0.112 1.00 43.13 H new ATOM 0 HG3 ARG B 35 -10.524 0.985 -1.739 1.00 43.13 H new ATOM 0 HD2 ARG B 35 -12.360 -0.587 -1.744 1.00 40.12 H new ATOM 0 HD3 ARG B 35 -10.880 -1.508 -1.931 1.00 40.12 H new ATOM 0 HE ARG B 35 -12.084 -1.244 0.791 1.00 33.52 H new ATOM 0 HH11 ARG B 35 -10.964 -3.302 -1.826 1.00 53.10 H new ATOM 0 HH12 ARG B 35 -11.398 -4.780 -0.961 1.00 53.10 H new ATOM 0 HH21 ARG B 35 -12.693 -3.121 1.776 1.00 4.30 H new ATOM 0 HH22 ARG B 35 -12.347 -4.678 1.017 1.00 4.30 H new ATOM 1570 N LEU B 36 -6.764 0.072 1.796 1.00 64.22 N ATOM 1571 CA LEU B 36 -5.475 -0.413 2.342 1.00 63.04 C ATOM 1572 C LEU B 36 -5.666 -0.993 3.765 1.00 14.42 C ATOM 1573 O LEU B 36 -5.302 -2.133 4.011 1.00 70.23 O ATOM 1574 CB LEU B 36 -4.413 0.713 2.360 1.00 41.22 C ATOM 1575 CG LEU B 36 -3.962 1.264 0.969 1.00 13.32 C ATOM 1576 CD1 LEU B 36 -2.907 2.383 1.129 1.00 10.12 C ATOM 1577 CD2 LEU B 36 -3.445 0.133 0.041 1.00 33.14 C ATOM 0 H LEU B 36 -6.756 1.053 1.515 1.00 64.22 H new ATOM 0 HA LEU B 36 -5.116 -1.207 1.686 1.00 63.04 H new ATOM 0 HB2 LEU B 36 -4.806 1.544 2.946 1.00 41.22 H new ATOM 0 HB3 LEU B 36 -3.531 0.343 2.883 1.00 41.22 H new ATOM 0 HG LEU B 36 -4.841 1.697 0.491 1.00 13.32 H new ATOM 0 HD11 LEU B 36 -2.611 2.748 0.145 1.00 10.12 H new ATOM 0 HD12 LEU B 36 -3.332 3.203 1.708 1.00 10.12 H new ATOM 0 HD13 LEU B 36 -2.033 1.988 1.647 1.00 10.12 H new ATOM 0 HD21 LEU B 36 -3.141 0.558 -0.916 1.00 33.14 H new ATOM 0 HD22 LEU B 36 -2.591 -0.358 0.507 1.00 33.14 H new ATOM 0 HD23 LEU B 36 -4.239 -0.596 -0.121 1.00 33.14 H new ATOM 1589 N ARG B 37 -6.315 -0.209 4.655 1.00 42.54 N ATOM 1590 CA ARG B 37 -6.672 -0.647 6.036 1.00 74.24 C ATOM 1591 C ARG B 37 -7.513 -1.956 6.044 1.00 33.42 C ATOM 1592 O ARG B 37 -7.415 -2.757 6.985 1.00 72.54 O ATOM 1593 CB ARG B 37 -7.449 0.471 6.780 1.00 31.42 C ATOM 1594 CG ARG B 37 -6.620 1.730 7.126 1.00 34.32 C ATOM 1595 CD ARG B 37 -7.475 2.779 7.857 1.00 32.13 C ATOM 1596 NE ARG B 37 -6.702 3.960 8.283 1.00 41.00 N ATOM 1597 CZ ARG B 37 -7.219 5.142 8.566 1.00 60.43 C ATOM 1598 NH1 ARG B 37 -8.483 5.388 8.413 1.00 71.24 N ATOM 1599 NH2 ARG B 37 -6.453 6.083 8.997 1.00 5.14 N ATOM 0 H ARG B 37 -6.608 0.745 4.443 1.00 42.54 H new ATOM 0 HA ARG B 37 -5.733 -0.849 6.552 1.00 74.24 H new ATOM 0 HB2 ARG B 37 -8.298 0.772 6.166 1.00 31.42 H new ATOM 0 HB3 ARG B 37 -7.854 0.057 7.703 1.00 31.42 H new ATOM 0 HG2 ARG B 37 -5.772 1.449 7.751 1.00 34.32 H new ATOM 0 HG3 ARG B 37 -6.213 2.162 6.212 1.00 34.32 H new ATOM 0 HD2 ARG B 37 -8.285 3.099 7.202 1.00 32.13 H new ATOM 0 HD3 ARG B 37 -7.935 2.319 8.731 1.00 32.13 H new ATOM 0 HE ARG B 37 -5.691 3.856 8.365 1.00 41.00 H new ATOM 0 HH11 ARG B 37 -9.106 4.659 8.066 1.00 71.24 H new ATOM 0 HH12 ARG B 37 -8.854 6.311 8.640 1.00 71.24 H new ATOM 0 HH21 ARG B 37 -5.455 5.913 9.118 1.00 5.14 H new ATOM 0 HH22 ARG B 37 -6.845 6.999 9.218 1.00 5.14 H new ATOM 1613 N GLU B 38 -8.330 -2.158 4.985 1.00 31.25 N ATOM 1614 CA GLU B 38 -9.189 -3.360 4.847 1.00 11.11 C ATOM 1615 C GLU B 38 -8.387 -4.575 4.306 1.00 1.14 C ATOM 1616 O GLU B 38 -8.679 -5.722 4.652 1.00 20.22 O ATOM 1617 CB GLU B 38 -10.398 -3.040 3.922 1.00 22.11 C ATOM 1618 CG GLU B 38 -11.350 -1.949 4.475 1.00 61.32 C ATOM 1619 CD GLU B 38 -12.484 -1.574 3.501 1.00 44.02 C ATOM 1620 OE1 GLU B 38 -13.486 -2.323 3.433 1.00 44.34 O ATOM 1621 OE2 GLU B 38 -12.356 -0.570 2.762 1.00 21.35 O ATOM 0 H GLU B 38 -8.413 -1.501 4.209 1.00 31.25 H new ATOM 0 HA GLU B 38 -9.559 -3.632 5.836 1.00 11.11 H new ATOM 0 HB2 GLU B 38 -10.023 -2.720 2.950 1.00 22.11 H new ATOM 0 HB3 GLU B 38 -10.968 -3.955 3.758 1.00 22.11 H new ATOM 0 HG2 GLU B 38 -11.786 -2.298 5.411 1.00 61.32 H new ATOM 0 HG3 GLU B 38 -10.770 -1.056 4.707 1.00 61.32 H new ATOM 1628 N LEU B 39 -7.374 -4.296 3.464 1.00 51.14 N ATOM 1629 CA LEU B 39 -6.518 -5.332 2.826 1.00 41.44 C ATOM 1630 C LEU B 39 -5.365 -5.787 3.758 1.00 2.23 C ATOM 1631 O LEU B 39 -4.729 -6.816 3.499 1.00 34.10 O ATOM 1632 CB LEU B 39 -5.958 -4.804 1.472 1.00 14.41 C ATOM 1633 CG LEU B 39 -7.026 -4.455 0.372 1.00 33.03 C ATOM 1634 CD1 LEU B 39 -6.370 -3.843 -0.889 1.00 21.35 C ATOM 1635 CD2 LEU B 39 -7.909 -5.678 0.022 1.00 43.54 C ATOM 0 H LEU B 39 -7.120 -3.344 3.202 1.00 51.14 H new ATOM 0 HA LEU B 39 -7.140 -6.207 2.637 1.00 41.44 H new ATOM 0 HB2 LEU B 39 -5.365 -3.911 1.670 1.00 14.41 H new ATOM 0 HB3 LEU B 39 -5.279 -5.554 1.066 1.00 14.41 H new ATOM 0 HG LEU B 39 -7.684 -3.695 0.793 1.00 33.03 H new ATOM 0 HD11 LEU B 39 -7.140 -3.615 -1.626 1.00 21.35 H new ATOM 0 HD12 LEU B 39 -5.845 -2.927 -0.618 1.00 21.35 H new ATOM 0 HD13 LEU B 39 -5.662 -4.555 -1.313 1.00 21.35 H new ATOM 0 HD21 LEU B 39 -8.634 -5.397 -0.741 1.00 43.54 H new ATOM 0 HD22 LEU B 39 -7.280 -6.485 -0.355 1.00 43.54 H new ATOM 0 HD23 LEU B 39 -8.435 -6.015 0.915 1.00 43.54 H new ATOM 1647 N VAL B 40 -5.086 -4.998 4.823 1.00 73.51 N ATOM 1648 CA VAL B 40 -4.139 -5.394 5.894 1.00 2.21 C ATOM 1649 C VAL B 40 -4.890 -6.238 6.972 1.00 2.23 C ATOM 1650 O VAL B 40 -5.694 -5.688 7.741 1.00 60.30 O ATOM 1651 CB VAL B 40 -3.433 -4.147 6.574 1.00 3.45 C ATOM 1652 CG1 VAL B 40 -2.360 -4.591 7.605 1.00 53.02 C ATOM 1653 CG2 VAL B 40 -2.818 -3.204 5.513 1.00 51.41 C ATOM 0 H VAL B 40 -5.506 -4.079 4.964 1.00 73.51 H new ATOM 0 HA VAL B 40 -3.353 -5.991 5.431 1.00 2.21 H new ATOM 0 HB VAL B 40 -4.202 -3.594 7.113 1.00 3.45 H new ATOM 0 HG11 VAL B 40 -1.897 -3.710 8.051 1.00 53.02 H new ATOM 0 HG12 VAL B 40 -2.831 -5.188 8.386 1.00 53.02 H new ATOM 0 HG13 VAL B 40 -1.598 -5.187 7.103 1.00 53.02 H new ATOM 0 HG21 VAL B 40 -2.341 -2.359 6.010 1.00 51.41 H new ATOM 0 HG22 VAL B 40 -2.075 -3.748 4.930 1.00 51.41 H new ATOM 0 HG23 VAL B 40 -3.604 -2.840 4.851 1.00 51.41 H new ATOM 1663 N PRO B 41 -4.639 -7.586 7.054 1.00 61.23 N ATOM 1664 CA PRO B 41 -5.383 -8.495 7.966 1.00 71.45 C ATOM 1665 C PRO B 41 -4.785 -8.571 9.403 1.00 32.44 C ATOM 1666 O PRO B 41 -5.121 -9.481 10.171 1.00 43.22 O ATOM 1667 CB PRO B 41 -5.256 -9.842 7.217 1.00 1.21 C ATOM 1668 CG PRO B 41 -3.885 -9.804 6.608 1.00 2.02 C ATOM 1669 CD PRO B 41 -3.614 -8.343 6.271 1.00 53.32 C ATOM 0 HA PRO B 41 -6.406 -8.168 8.152 1.00 71.45 H new ATOM 0 HB2 PRO B 41 -5.365 -10.687 7.897 1.00 1.21 H new ATOM 0 HB3 PRO B 41 -6.027 -9.946 6.454 1.00 1.21 H new ATOM 0 HG2 PRO B 41 -3.139 -10.189 7.303 1.00 2.02 H new ATOM 0 HG3 PRO B 41 -3.838 -10.426 5.714 1.00 2.02 H new ATOM 0 HD2 PRO B 41 -2.603 -8.051 6.553 1.00 53.32 H new ATOM 0 HD3 PRO B 41 -3.713 -8.157 5.202 1.00 53.32 H new ATOM 1677 N GLY B 42 -3.916 -7.599 9.759 1.00 25.22 N ATOM 1678 CA GLY B 42 -3.234 -7.581 11.070 1.00 2.52 C ATOM 1679 C GLY B 42 -3.379 -6.254 11.822 1.00 12.10 C ATOM 1680 O GLY B 42 -2.444 -5.820 12.510 1.00 12.43 O ATOM 0 H GLY B 42 -3.671 -6.815 9.154 1.00 25.22 H new ATOM 0 HA2 GLY B 42 -3.634 -8.384 11.689 1.00 2.52 H new ATOM 0 HA3 GLY B 42 -2.175 -7.790 10.921 1.00 2.52 H new ATOM 1684 N VAL B 43 -4.559 -5.611 11.695 1.00 14.24 N ATOM 1685 CA VAL B 43 -4.871 -4.339 12.398 1.00 53.15 C ATOM 1686 C VAL B 43 -5.654 -4.617 13.720 1.00 21.21 C ATOM 1687 O VAL B 43 -6.773 -5.133 13.668 1.00 61.03 O ATOM 1688 CB VAL B 43 -5.712 -3.363 11.478 1.00 22.43 C ATOM 1689 CG1 VAL B 43 -5.972 -2.003 12.181 1.00 44.32 C ATOM 1690 CG2 VAL B 43 -5.026 -3.161 10.101 1.00 64.54 C ATOM 0 H VAL B 43 -5.320 -5.952 11.108 1.00 14.24 H new ATOM 0 HA VAL B 43 -3.923 -3.858 12.637 1.00 53.15 H new ATOM 0 HB VAL B 43 -6.681 -3.831 11.302 1.00 22.43 H new ATOM 0 HG11 VAL B 43 -6.552 -1.357 11.521 1.00 44.32 H new ATOM 0 HG12 VAL B 43 -6.527 -2.171 13.104 1.00 44.32 H new ATOM 0 HG13 VAL B 43 -5.020 -1.525 12.412 1.00 44.32 H new ATOM 0 HG21 VAL B 43 -5.626 -2.486 9.491 1.00 64.54 H new ATOM 0 HG22 VAL B 43 -4.035 -2.732 10.248 1.00 64.54 H new ATOM 0 HG23 VAL B 43 -4.934 -4.122 9.596 1.00 64.54 H new ATOM 1700 N PRO B 44 -5.075 -4.295 14.927 1.00 32.42 N ATOM 1701 CA PRO B 44 -5.803 -4.406 16.225 1.00 31.53 C ATOM 1702 C PRO B 44 -6.958 -3.365 16.349 1.00 45.23 C ATOM 1703 O PRO B 44 -6.813 -2.210 15.914 1.00 51.51 O ATOM 1704 CB PRO B 44 -4.693 -4.158 17.297 1.00 65.44 C ATOM 1705 CG PRO B 44 -3.392 -4.301 16.547 1.00 5.40 C ATOM 1706 CD PRO B 44 -3.680 -3.835 15.139 1.00 62.22 C ATOM 0 HA PRO B 44 -6.294 -5.373 16.337 1.00 31.53 H new ATOM 0 HB2 PRO B 44 -4.787 -3.167 17.741 1.00 65.44 H new ATOM 0 HB3 PRO B 44 -4.761 -4.880 18.111 1.00 65.44 H new ATOM 0 HG2 PRO B 44 -2.607 -3.700 17.006 1.00 5.40 H new ATOM 0 HG3 PRO B 44 -3.047 -5.335 16.555 1.00 5.40 H new ATOM 0 HD2 PRO B 44 -3.591 -2.753 15.044 1.00 62.22 H new ATOM 0 HD3 PRO B 44 -2.993 -4.276 14.417 1.00 62.22 H new ATOM 1714 N ARG B 45 -8.100 -3.791 16.936 1.00 32.25 N ATOM 1715 CA ARG B 45 -9.273 -2.912 17.165 1.00 1.13 C ATOM 1716 C ARG B 45 -8.941 -1.831 18.232 1.00 54.42 C ATOM 1717 O ARG B 45 -8.814 -2.133 19.422 1.00 2.54 O ATOM 1718 CB ARG B 45 -10.522 -3.751 17.590 1.00 3.41 C ATOM 1719 CG ARG B 45 -11.308 -4.462 16.440 1.00 62.53 C ATOM 1720 CD ARG B 45 -10.484 -5.482 15.601 1.00 0.31 C ATOM 1721 NE ARG B 45 -9.798 -4.861 14.443 1.00 34.54 N ATOM 1722 CZ ARG B 45 -9.959 -5.212 13.177 1.00 41.10 C ATOM 1723 NH1 ARG B 45 -10.798 -6.132 12.837 1.00 51.43 N ATOM 1724 NH2 ARG B 45 -9.284 -4.608 12.254 1.00 4.44 N ATOM 0 H ARG B 45 -8.235 -4.748 17.263 1.00 32.25 H new ATOM 0 HA ARG B 45 -9.512 -2.407 16.229 1.00 1.13 H new ATOM 0 HB2 ARG B 45 -10.197 -4.510 18.302 1.00 3.41 H new ATOM 0 HB3 ARG B 45 -11.212 -3.093 18.119 1.00 3.41 H new ATOM 0 HG2 ARG B 45 -12.163 -4.980 16.874 1.00 62.53 H new ATOM 0 HG3 ARG B 45 -11.704 -3.700 15.768 1.00 62.53 H new ATOM 0 HD2 ARG B 45 -9.742 -5.957 16.243 1.00 0.31 H new ATOM 0 HD3 ARG B 45 -11.147 -6.270 15.243 1.00 0.31 H new ATOM 0 HE ARG B 45 -9.148 -4.100 14.638 1.00 34.54 H new ATOM 0 HH11 ARG B 45 -11.353 -6.605 13.550 1.00 51.43 H new ATOM 0 HH12 ARG B 45 -10.906 -6.386 11.855 1.00 51.43 H new ATOM 0 HH21 ARG B 45 -8.631 -3.865 12.503 1.00 4.44 H new ATOM 0 HH22 ARG B 45 -9.404 -4.875 11.277 1.00 4.44 H new ATOM 1738 N GLY B 46 -8.766 -0.582 17.772 1.00 33.34 N ATOM 1739 CA GLY B 46 -8.416 0.557 18.645 1.00 54.01 C ATOM 1740 C GLY B 46 -7.147 1.280 18.192 1.00 0.03 C ATOM 1741 O GLY B 46 -6.934 2.448 18.536 1.00 12.43 O ATOM 0 H GLY B 46 -8.862 -0.331 16.788 1.00 33.34 H new ATOM 0 HA2 GLY B 46 -9.245 1.264 18.663 1.00 54.01 H new ATOM 0 HA3 GLY B 46 -8.281 0.199 19.666 1.00 54.01 H new ATOM 1745 N THR B 47 -6.300 0.573 17.419 1.00 53.31 N ATOM 1746 CA THR B 47 -5.040 1.121 16.872 1.00 31.05 C ATOM 1747 C THR B 47 -5.325 2.088 15.697 1.00 21.41 C ATOM 1748 O THR B 47 -5.629 1.657 14.573 1.00 60.02 O ATOM 1749 CB THR B 47 -4.085 -0.042 16.419 1.00 53.11 C ATOM 1750 OG1 THR B 47 -3.797 -0.895 17.545 1.00 72.01 O ATOM 1751 CG2 THR B 47 -2.756 0.464 15.821 1.00 4.33 C ATOM 0 H THR B 47 -6.469 -0.397 17.155 1.00 53.31 H new ATOM 0 HA THR B 47 -4.542 1.686 17.660 1.00 31.05 H new ATOM 0 HB THR B 47 -4.607 -0.590 15.635 1.00 53.11 H new ATOM 0 HG1 THR B 47 -3.203 -1.621 17.262 1.00 72.01 H new ATOM 0 HG21 THR B 47 -2.141 -0.387 15.528 1.00 4.33 H new ATOM 0 HG22 THR B 47 -2.962 1.081 14.946 1.00 4.33 H new ATOM 0 HG23 THR B 47 -2.224 1.056 16.566 1.00 4.33 H new ATOM 1759 N GLN B 48 -5.276 3.401 15.993 1.00 71.25 N ATOM 1760 CA GLN B 48 -5.509 4.467 15.000 1.00 13.50 C ATOM 1761 C GLN B 48 -4.294 4.609 14.054 1.00 1.51 C ATOM 1762 O GLN B 48 -3.271 5.189 14.429 1.00 64.32 O ATOM 1763 CB GLN B 48 -5.816 5.814 15.719 1.00 4.55 C ATOM 1764 CG GLN B 48 -7.044 5.765 16.662 1.00 3.22 C ATOM 1765 CD GLN B 48 -7.396 7.110 17.317 1.00 43.52 C ATOM 1766 OE1 GLN B 48 -6.542 7.953 17.551 1.00 40.53 O ATOM 1767 NE2 GLN B 48 -8.656 7.312 17.643 1.00 70.55 N ATOM 0 H GLN B 48 -5.073 3.753 16.929 1.00 71.25 H new ATOM 0 HA GLN B 48 -6.374 4.196 14.394 1.00 13.50 H new ATOM 0 HB2 GLN B 48 -4.941 6.113 16.296 1.00 4.55 H new ATOM 0 HB3 GLN B 48 -5.980 6.585 14.967 1.00 4.55 H new ATOM 0 HG2 GLN B 48 -7.907 5.413 16.097 1.00 3.22 H new ATOM 0 HG3 GLN B 48 -6.856 5.031 17.446 1.00 3.22 H new ATOM 0 HE21 GLN B 48 -9.356 6.598 17.441 1.00 70.55 H new ATOM 0 HE22 GLN B 48 -8.932 8.182 18.098 1.00 70.55 H new ATOM 1776 N LEU B 49 -4.415 4.044 12.836 1.00 31.04 N ATOM 1777 CA LEU B 49 -3.338 4.071 11.824 1.00 52.31 C ATOM 1778 C LEU B 49 -3.204 5.479 11.194 1.00 61.35 C ATOM 1779 O LEU B 49 -4.078 5.900 10.428 1.00 3.24 O ATOM 1780 CB LEU B 49 -3.601 3.012 10.712 1.00 44.31 C ATOM 1781 CG LEU B 49 -3.701 1.522 11.175 1.00 14.21 C ATOM 1782 CD1 LEU B 49 -3.940 0.581 9.967 1.00 73.40 C ATOM 1783 CD2 LEU B 49 -2.454 1.087 11.988 1.00 5.53 C ATOM 0 H LEU B 49 -5.257 3.558 12.527 1.00 31.04 H new ATOM 0 HA LEU B 49 -2.402 3.827 12.327 1.00 52.31 H new ATOM 0 HB2 LEU B 49 -4.529 3.274 10.204 1.00 44.31 H new ATOM 0 HB3 LEU B 49 -2.802 3.087 9.974 1.00 44.31 H new ATOM 0 HG LEU B 49 -4.561 1.443 11.840 1.00 14.21 H new ATOM 0 HD11 LEU B 49 -4.006 -0.450 10.316 1.00 73.40 H new ATOM 0 HD12 LEU B 49 -4.870 0.856 9.470 1.00 73.40 H new ATOM 0 HD13 LEU B 49 -3.112 0.674 9.264 1.00 73.40 H new ATOM 0 HD21 LEU B 49 -2.562 0.046 12.291 1.00 5.53 H new ATOM 0 HD22 LEU B 49 -1.562 1.194 11.371 1.00 5.53 H new ATOM 0 HD23 LEU B 49 -2.360 1.715 12.874 1.00 5.53 H new ATOM 1795 N SER B 50 -2.116 6.199 11.537 1.00 71.44 N ATOM 1796 CA SER B 50 -1.770 7.505 10.908 1.00 61.10 C ATOM 1797 C SER B 50 -1.455 7.322 9.401 1.00 41.13 C ATOM 1798 O SER B 50 -1.180 6.208 8.970 1.00 72.21 O ATOM 1799 CB SER B 50 -0.559 8.150 11.634 1.00 73.02 C ATOM 1800 OG SER B 50 -0.836 8.377 13.011 1.00 54.30 O ATOM 0 H SER B 50 -1.452 5.900 12.252 1.00 71.44 H new ATOM 0 HA SER B 50 -2.630 8.168 11.002 1.00 61.10 H new ATOM 0 HB2 SER B 50 0.311 7.500 11.539 1.00 73.02 H new ATOM 0 HB3 SER B 50 -0.306 9.094 11.152 1.00 73.02 H new ATOM 0 HG SER B 50 -0.053 8.782 13.440 1.00 54.30 H new ATOM 1806 N GLN B 51 -1.467 8.429 8.629 1.00 34.13 N ATOM 1807 CA GLN B 51 -1.309 8.415 7.137 1.00 23.51 C ATOM 1808 C GLN B 51 -0.085 7.582 6.662 1.00 13.34 C ATOM 1809 O GLN B 51 -0.191 6.761 5.740 1.00 2.30 O ATOM 1810 CB GLN B 51 -1.183 9.870 6.606 1.00 12.44 C ATOM 1811 CG GLN B 51 -2.353 10.800 6.989 1.00 23.41 C ATOM 1812 CD GLN B 51 -2.177 12.257 6.527 1.00 24.44 C ATOM 1813 OE1 GLN B 51 -0.946 12.757 6.497 1.00 61.42 O flip ATOM 1814 NE2 GLN B 51 -3.147 12.946 6.230 1.00 20.53 N flip ATOM 0 H GLN B 51 -1.586 9.367 9.012 1.00 34.13 H new ATOM 0 HA GLN B 51 -2.200 7.936 6.731 1.00 23.51 H new ATOM 0 HB2 GLN B 51 -0.256 10.301 6.984 1.00 12.44 H new ATOM 0 HB3 GLN B 51 -1.101 9.840 5.519 1.00 12.44 H new ATOM 0 HG2 GLN B 51 -3.273 10.403 6.560 1.00 23.41 H new ATOM 0 HG3 GLN B 51 -2.474 10.786 8.072 1.00 23.41 H new ATOM 0 HE21 GLN B 51 -4.085 12.546 6.259 1.00 20.53 H new ATOM 0 HE22 GLN B 51 -3.016 13.919 5.954 1.00 20.53 H new ATOM 1823 N VAL B 52 1.068 7.814 7.312 1.00 14.04 N ATOM 1824 CA VAL B 52 2.316 7.067 7.028 1.00 71.01 C ATOM 1825 C VAL B 52 2.234 5.614 7.568 1.00 43.13 C ATOM 1826 O VAL B 52 2.657 4.681 6.893 1.00 22.50 O ATOM 1827 CB VAL B 52 3.587 7.774 7.637 1.00 72.12 C ATOM 1828 CG1 VAL B 52 4.889 7.161 7.062 1.00 22.21 C ATOM 1829 CG2 VAL B 52 3.545 9.299 7.408 1.00 22.24 C ATOM 0 H VAL B 52 1.167 8.517 8.044 1.00 14.04 H new ATOM 0 HA VAL B 52 2.420 7.048 5.943 1.00 71.01 H new ATOM 0 HB VAL B 52 3.579 7.602 8.713 1.00 72.12 H new ATOM 0 HG11 VAL B 52 5.752 7.665 7.497 1.00 22.21 H new ATOM 0 HG12 VAL B 52 4.929 6.099 7.304 1.00 22.21 H new ATOM 0 HG13 VAL B 52 4.903 7.287 5.979 1.00 22.21 H new ATOM 0 HG21 VAL B 52 4.435 9.756 7.840 1.00 22.24 H new ATOM 0 HG22 VAL B 52 3.513 9.506 6.338 1.00 22.24 H new ATOM 0 HG23 VAL B 52 2.657 9.714 7.884 1.00 22.24 H new ATOM 1839 N GLU B 53 1.677 5.455 8.791 1.00 3.03 N ATOM 1840 CA GLU B 53 1.522 4.136 9.474 1.00 21.41 C ATOM 1841 C GLU B 53 0.659 3.132 8.674 1.00 71.23 C ATOM 1842 O GLU B 53 0.861 1.920 8.781 1.00 54.55 O ATOM 1843 CB GLU B 53 0.943 4.342 10.902 1.00 73.32 C ATOM 1844 CG GLU B 53 1.930 4.982 11.901 1.00 32.21 C ATOM 1845 CD GLU B 53 3.118 4.054 12.244 1.00 24.13 C ATOM 1846 OE1 GLU B 53 3.006 3.264 13.207 1.00 12.25 O ATOM 1847 OE2 GLU B 53 4.156 4.095 11.546 1.00 64.42 O ATOM 0 H GLU B 53 1.319 6.237 9.339 1.00 3.03 H new ATOM 0 HA GLU B 53 2.516 3.695 9.541 1.00 21.41 H new ATOM 0 HB2 GLU B 53 0.055 4.970 10.834 1.00 73.32 H new ATOM 0 HB3 GLU B 53 0.622 3.377 11.294 1.00 73.32 H new ATOM 0 HG2 GLU B 53 2.311 5.914 11.483 1.00 32.21 H new ATOM 0 HG3 GLU B 53 1.398 5.238 12.817 1.00 32.21 H new ATOM 1854 N ILE B 54 -0.292 3.652 7.878 1.00 4.45 N ATOM 1855 CA ILE B 54 -1.061 2.848 6.904 1.00 21.03 C ATOM 1856 C ILE B 54 -0.101 2.202 5.876 1.00 44.33 C ATOM 1857 O ILE B 54 -0.101 0.983 5.692 1.00 34.43 O ATOM 1858 CB ILE B 54 -2.125 3.740 6.155 1.00 14.51 C ATOM 1859 CG1 ILE B 54 -3.163 4.340 7.162 1.00 40.12 C ATOM 1860 CG2 ILE B 54 -2.837 2.954 5.020 1.00 22.32 C ATOM 1861 CD1 ILE B 54 -4.117 5.359 6.560 1.00 54.53 C ATOM 0 H ILE B 54 -0.551 4.639 7.889 1.00 4.45 H new ATOM 0 HA ILE B 54 -1.589 2.064 7.448 1.00 21.03 H new ATOM 0 HB ILE B 54 -1.588 4.567 5.690 1.00 14.51 H new ATOM 0 HG12 ILE B 54 -3.747 3.525 7.590 1.00 40.12 H new ATOM 0 HG13 ILE B 54 -2.622 4.810 7.983 1.00 40.12 H new ATOM 0 HG21 ILE B 54 -3.562 3.602 4.528 1.00 22.32 H new ATOM 0 HG22 ILE B 54 -2.099 2.617 4.292 1.00 22.32 H new ATOM 0 HG23 ILE B 54 -3.350 2.090 5.442 1.00 22.32 H new ATOM 0 HD11 ILE B 54 -4.798 5.719 7.331 1.00 54.53 H new ATOM 0 HD12 ILE B 54 -3.548 6.197 6.158 1.00 54.53 H new ATOM 0 HD13 ILE B 54 -4.690 4.892 5.759 1.00 54.53 H new ATOM 1873 N LEU B 55 0.747 3.051 5.259 1.00 42.55 N ATOM 1874 CA LEU B 55 1.760 2.622 4.271 1.00 63.20 C ATOM 1875 C LEU B 55 2.754 1.606 4.885 1.00 61.13 C ATOM 1876 O LEU B 55 3.093 0.613 4.250 1.00 63.23 O ATOM 1877 CB LEU B 55 2.532 3.853 3.717 1.00 2.21 C ATOM 1878 CG LEU B 55 1.663 4.995 3.089 1.00 4.34 C ATOM 1879 CD1 LEU B 55 2.548 6.171 2.601 1.00 45.25 C ATOM 1880 CD2 LEU B 55 0.758 4.454 1.948 1.00 62.30 C ATOM 0 H LEU B 55 0.749 4.056 5.432 1.00 42.55 H new ATOM 0 HA LEU B 55 1.236 2.130 3.452 1.00 63.20 H new ATOM 0 HB2 LEU B 55 3.122 4.279 4.528 1.00 2.21 H new ATOM 0 HB3 LEU B 55 3.235 3.503 2.961 1.00 2.21 H new ATOM 0 HG LEU B 55 1.008 5.380 3.871 1.00 4.34 H new ATOM 0 HD11 LEU B 55 1.916 6.948 2.170 1.00 45.25 H new ATOM 0 HD12 LEU B 55 3.104 6.582 3.444 1.00 45.25 H new ATOM 0 HD13 LEU B 55 3.247 5.811 1.846 1.00 45.25 H new ATOM 0 HD21 LEU B 55 0.168 5.271 1.533 1.00 62.30 H new ATOM 0 HD22 LEU B 55 1.380 4.021 1.164 1.00 62.30 H new ATOM 0 HD23 LEU B 55 0.090 3.689 2.345 1.00 62.30 H new ATOM 1892 N GLN B 56 3.174 1.861 6.146 1.00 63.32 N ATOM 1893 CA GLN B 56 4.119 0.997 6.895 1.00 12.23 C ATOM 1894 C GLN B 56 3.568 -0.437 7.081 1.00 55.52 C ATOM 1895 O GLN B 56 4.304 -1.411 6.928 1.00 74.12 O ATOM 1896 CB GLN B 56 4.447 1.614 8.286 1.00 32.32 C ATOM 1897 CG GLN B 56 5.125 3.004 8.254 1.00 2.50 C ATOM 1898 CD GLN B 56 6.453 3.037 7.494 1.00 72.20 C ATOM 1899 OE1 GLN B 56 6.789 4.176 6.944 1.00 72.23 O flip ATOM 1900 NE2 GLN B 56 7.185 2.055 7.422 1.00 54.40 N flip ATOM 0 H GLN B 56 2.866 2.676 6.676 1.00 63.32 H new ATOM 0 HA GLN B 56 5.031 0.936 6.302 1.00 12.23 H new ATOM 0 HB2 GLN B 56 3.522 1.693 8.856 1.00 32.32 H new ATOM 0 HB3 GLN B 56 5.096 0.925 8.826 1.00 32.32 H new ATOM 0 HG2 GLN B 56 4.440 3.719 7.798 1.00 2.50 H new ATOM 0 HG3 GLN B 56 5.297 3.336 9.278 1.00 2.50 H new ATOM 0 HE21 GLN B 56 6.904 1.177 7.858 1.00 54.40 H new ATOM 0 HE22 GLN B 56 8.074 2.117 6.926 1.00 54.40 H new ATOM 1909 N ARG B 57 2.260 -0.543 7.401 1.00 33.41 N ATOM 1910 CA ARG B 57 1.579 -1.847 7.597 1.00 45.23 C ATOM 1911 C ARG B 57 1.437 -2.624 6.274 1.00 44.22 C ATOM 1912 O ARG B 57 1.479 -3.854 6.275 1.00 30.34 O ATOM 1913 CB ARG B 57 0.188 -1.644 8.264 1.00 43.40 C ATOM 1914 CG ARG B 57 0.220 -1.053 9.703 1.00 51.32 C ATOM 1915 CD ARG B 57 0.751 -2.023 10.803 1.00 53.40 C ATOM 1916 NE ARG B 57 2.156 -2.464 10.609 1.00 73.30 N ATOM 1917 CZ ARG B 57 3.243 -1.729 10.782 1.00 73.51 C ATOM 1918 NH1 ARG B 57 3.185 -0.479 11.114 1.00 14.43 N ATOM 1919 NH2 ARG B 57 4.401 -2.267 10.593 1.00 13.32 N ATOM 0 H ARG B 57 1.649 0.263 7.530 1.00 33.41 H new ATOM 0 HA ARG B 57 2.203 -2.444 8.262 1.00 45.23 H new ATOM 0 HB2 ARG B 57 -0.407 -0.985 7.632 1.00 43.40 H new ATOM 0 HB3 ARG B 57 -0.325 -2.605 8.295 1.00 43.40 H new ATOM 0 HG2 ARG B 57 0.842 -0.158 9.698 1.00 51.32 H new ATOM 0 HG3 ARG B 57 -0.788 -0.739 9.973 1.00 51.32 H new ATOM 0 HD2 ARG B 57 0.668 -1.533 11.773 1.00 53.40 H new ATOM 0 HD3 ARG B 57 0.108 -2.903 10.835 1.00 53.40 H new ATOM 0 HE ARG B 57 2.297 -3.430 10.313 1.00 73.30 H new ATOM 0 HH11 ARG B 57 2.280 -0.029 11.251 1.00 14.43 H new ATOM 0 HH12 ARG B 57 4.044 0.056 11.239 1.00 14.43 H new ATOM 0 HH21 ARG B 57 4.469 -3.246 10.314 1.00 13.32 H new ATOM 0 HH22 ARG B 57 5.248 -1.713 10.722 1.00 13.32 H new ATOM 1933 N VAL B 58 1.269 -1.892 5.156 1.00 72.11 N ATOM 1934 CA VAL B 58 1.158 -2.499 3.811 1.00 45.32 C ATOM 1935 C VAL B 58 2.532 -3.034 3.305 1.00 52.43 C ATOM 1936 O VAL B 58 2.608 -4.172 2.841 1.00 2.31 O ATOM 1937 CB VAL B 58 0.541 -1.489 2.773 1.00 22.02 C ATOM 1938 CG1 VAL B 58 0.433 -2.123 1.369 1.00 33.34 C ATOM 1939 CG2 VAL B 58 -0.841 -0.970 3.253 1.00 73.02 C ATOM 0 H VAL B 58 1.207 -0.874 5.156 1.00 72.11 H new ATOM 0 HA VAL B 58 0.481 -3.349 3.901 1.00 45.32 H new ATOM 0 HB VAL B 58 1.216 -0.636 2.702 1.00 22.02 H new ATOM 0 HG11 VAL B 58 0.003 -1.400 0.675 1.00 33.34 H new ATOM 0 HG12 VAL B 58 1.425 -2.412 1.023 1.00 33.34 H new ATOM 0 HG13 VAL B 58 -0.206 -3.005 1.416 1.00 33.34 H new ATOM 0 HG21 VAL B 58 -1.244 -0.274 2.517 1.00 73.02 H new ATOM 0 HG22 VAL B 58 -1.525 -1.811 3.370 1.00 73.02 H new ATOM 0 HG23 VAL B 58 -0.726 -0.460 4.209 1.00 73.02 H new ATOM 1949 N ILE B 59 3.602 -2.211 3.410 1.00 40.42 N ATOM 1950 CA ILE B 59 4.986 -2.619 3.023 1.00 63.13 C ATOM 1951 C ILE B 59 5.432 -3.862 3.838 1.00 61.13 C ATOM 1952 O ILE B 59 5.881 -4.857 3.275 1.00 60.24 O ATOM 1953 CB ILE B 59 6.036 -1.457 3.259 1.00 51.24 C ATOM 1954 CG1 ILE B 59 5.616 -0.147 2.524 1.00 14.44 C ATOM 1955 CG2 ILE B 59 7.464 -1.884 2.816 1.00 23.13 C ATOM 1956 CD1 ILE B 59 6.452 1.074 2.876 1.00 40.35 C ATOM 0 H ILE B 59 3.539 -1.255 3.760 1.00 40.42 H new ATOM 0 HA ILE B 59 4.959 -2.854 1.959 1.00 63.13 H new ATOM 0 HB ILE B 59 6.052 -1.258 4.330 1.00 51.24 H new ATOM 0 HG12 ILE B 59 5.676 -0.314 1.449 1.00 14.44 H new ATOM 0 HG13 ILE B 59 4.572 0.065 2.755 1.00 14.44 H new ATOM 0 HG21 ILE B 59 8.160 -1.064 2.991 1.00 23.13 H new ATOM 0 HG22 ILE B 59 7.778 -2.755 3.391 1.00 23.13 H new ATOM 0 HG23 ILE B 59 7.457 -2.133 1.755 1.00 23.13 H new ATOM 0 HD11 ILE B 59 6.088 1.937 2.318 1.00 40.35 H new ATOM 0 HD12 ILE B 59 6.373 1.273 3.945 1.00 40.35 H new ATOM 0 HD13 ILE B 59 7.494 0.888 2.618 1.00 40.35 H new ATOM 1968 N ASP B 60 5.260 -3.771 5.169 1.00 5.42 N ATOM 1969 CA ASP B 60 5.615 -4.842 6.135 1.00 62.13 C ATOM 1970 C ASP B 60 4.825 -6.157 5.871 1.00 21.05 C ATOM 1971 O ASP B 60 5.358 -7.260 6.044 1.00 33.45 O ATOM 1972 CB ASP B 60 5.354 -4.308 7.567 1.00 51.14 C ATOM 1973 CG ASP B 60 5.732 -5.280 8.695 1.00 64.22 C ATOM 1974 OD1 ASP B 60 6.922 -5.647 8.798 1.00 22.24 O ATOM 1975 OD2 ASP B 60 4.841 -5.673 9.486 1.00 1.05 O ATOM 0 H ASP B 60 4.866 -2.943 5.616 1.00 5.42 H new ATOM 0 HA ASP B 60 6.668 -5.096 6.016 1.00 62.13 H new ATOM 0 HB2 ASP B 60 5.913 -3.382 7.702 1.00 51.14 H new ATOM 0 HB3 ASP B 60 4.297 -4.059 7.660 1.00 51.14 H new ATOM 1980 N TYR B 61 3.548 -6.006 5.458 1.00 74.12 N ATOM 1981 CA TYR B 61 2.669 -7.131 5.032 1.00 5.22 C ATOM 1982 C TYR B 61 3.258 -7.885 3.814 1.00 64.54 C ATOM 1983 O TYR B 61 3.382 -9.115 3.834 1.00 50.11 O ATOM 1984 CB TYR B 61 1.242 -6.582 4.703 1.00 11.41 C ATOM 1985 CG TYR B 61 0.305 -7.548 3.940 1.00 10.41 C ATOM 1986 CD1 TYR B 61 -0.194 -8.700 4.549 1.00 54.21 C ATOM 1987 CD2 TYR B 61 -0.071 -7.298 2.610 1.00 4.40 C ATOM 1988 CE1 TYR B 61 -1.027 -9.564 3.870 1.00 73.40 C ATOM 1989 CE2 TYR B 61 -0.907 -8.163 1.930 1.00 73.34 C ATOM 1990 CZ TYR B 61 -1.382 -9.294 2.565 1.00 24.12 C ATOM 1991 OH TYR B 61 -2.208 -10.169 1.889 1.00 50.21 O ATOM 0 H TYR B 61 3.089 -5.096 5.408 1.00 74.12 H new ATOM 0 HA TYR B 61 2.602 -7.846 5.852 1.00 5.22 H new ATOM 0 HB2 TYR B 61 0.758 -6.300 5.638 1.00 11.41 H new ATOM 0 HB3 TYR B 61 1.351 -5.672 4.114 1.00 11.41 H new ATOM 0 HD1 TYR B 61 0.077 -8.919 5.571 1.00 54.21 H new ATOM 0 HD2 TYR B 61 0.299 -6.415 2.110 1.00 4.40 H new ATOM 0 HE1 TYR B 61 -1.401 -10.451 4.360 1.00 73.40 H new ATOM 0 HE2 TYR B 61 -1.187 -7.956 0.908 1.00 73.34 H new ATOM 0 HH TYR B 61 -2.364 -9.836 0.981 1.00 50.21 H new ATOM 2001 N ILE B 62 3.621 -7.126 2.765 1.00 0.35 N ATOM 2002 CA ILE B 62 4.136 -7.692 1.496 1.00 12.13 C ATOM 2003 C ILE B 62 5.552 -8.316 1.688 1.00 55.05 C ATOM 2004 O ILE B 62 5.870 -9.338 1.079 1.00 24.41 O ATOM 2005 CB ILE B 62 4.158 -6.595 0.363 1.00 35.04 C ATOM 2006 CG1 ILE B 62 2.740 -5.936 0.193 1.00 14.44 C ATOM 2007 CG2 ILE B 62 4.644 -7.190 -0.986 1.00 13.43 C ATOM 2008 CD1 ILE B 62 2.707 -4.704 -0.708 1.00 33.52 C ATOM 0 H ILE B 62 3.568 -6.107 2.768 1.00 0.35 H new ATOM 0 HA ILE B 62 3.460 -8.489 1.189 1.00 12.13 H new ATOM 0 HB ILE B 62 4.864 -5.822 0.666 1.00 35.04 H new ATOM 0 HG12 ILE B 62 2.055 -6.682 -0.211 1.00 14.44 H new ATOM 0 HG13 ILE B 62 2.364 -5.658 1.178 1.00 14.44 H new ATOM 0 HG21 ILE B 62 4.648 -6.410 -1.747 1.00 13.43 H new ATOM 0 HG22 ILE B 62 5.652 -7.586 -0.867 1.00 13.43 H new ATOM 0 HG23 ILE B 62 3.973 -7.992 -1.293 1.00 13.43 H new ATOM 0 HD11 ILE B 62 1.688 -4.321 -0.763 1.00 33.52 H new ATOM 0 HD12 ILE B 62 3.362 -3.935 -0.297 1.00 33.52 H new ATOM 0 HD13 ILE B 62 3.048 -4.975 -1.707 1.00 33.52 H new ATOM 2020 N LEU B 63 6.377 -7.690 2.551 1.00 32.14 N ATOM 2021 CA LEU B 63 7.715 -8.213 2.941 1.00 5.03 C ATOM 2022 C LEU B 63 7.610 -9.508 3.781 1.00 73.51 C ATOM 2023 O LEU B 63 8.518 -10.340 3.759 1.00 73.42 O ATOM 2024 CB LEU B 63 8.506 -7.134 3.727 1.00 44.33 C ATOM 2025 CG LEU B 63 8.966 -5.882 2.912 1.00 11.25 C ATOM 2026 CD1 LEU B 63 9.668 -4.856 3.830 1.00 40.24 C ATOM 2027 CD2 LEU B 63 9.871 -6.289 1.719 1.00 34.35 C ATOM 0 H LEU B 63 6.140 -6.806 3.001 1.00 32.14 H new ATOM 0 HA LEU B 63 8.248 -8.458 2.022 1.00 5.03 H new ATOM 0 HB2 LEU B 63 7.887 -6.793 4.557 1.00 44.33 H new ATOM 0 HB3 LEU B 63 9.389 -7.604 4.159 1.00 44.33 H new ATOM 0 HG LEU B 63 8.078 -5.405 2.498 1.00 11.25 H new ATOM 0 HD11 LEU B 63 9.979 -3.994 3.241 1.00 40.24 H new ATOM 0 HD12 LEU B 63 8.978 -4.533 4.609 1.00 40.24 H new ATOM 0 HD13 LEU B 63 10.543 -5.317 4.288 1.00 40.24 H new ATOM 0 HD21 LEU B 63 10.175 -5.397 1.172 1.00 34.35 H new ATOM 0 HD22 LEU B 63 10.756 -6.804 2.093 1.00 34.35 H new ATOM 0 HD23 LEU B 63 9.319 -6.953 1.053 1.00 34.35 H new ATOM 2039 N ASP B 64 6.511 -9.646 4.543 1.00 32.54 N ATOM 2040 CA ASP B 64 6.208 -10.877 5.310 1.00 54.33 C ATOM 2041 C ASP B 64 5.873 -12.055 4.357 1.00 63.53 C ATOM 2042 O ASP B 64 6.209 -13.212 4.640 1.00 23.42 O ATOM 2043 CB ASP B 64 5.044 -10.608 6.294 1.00 11.22 C ATOM 2044 CG ASP B 64 4.685 -11.813 7.184 1.00 55.55 C ATOM 2045 OD1 ASP B 64 5.341 -12.016 8.224 1.00 34.32 O ATOM 2046 OD2 ASP B 64 3.759 -12.576 6.836 1.00 61.11 O ATOM 0 H ASP B 64 5.808 -8.914 4.647 1.00 32.54 H new ATOM 0 HA ASP B 64 7.091 -11.161 5.883 1.00 54.33 H new ATOM 0 HB2 ASP B 64 5.308 -9.764 6.932 1.00 11.22 H new ATOM 0 HB3 ASP B 64 4.162 -10.314 5.725 1.00 11.22 H new ATOM 2051 N LEU B 65 5.192 -11.741 3.241 1.00 74.45 N ATOM 2052 CA LEU B 65 4.868 -12.726 2.181 1.00 33.42 C ATOM 2053 C LEU B 65 6.137 -13.114 1.387 1.00 63.20 C ATOM 2054 O LEU B 65 6.436 -14.297 1.183 1.00 41.02 O ATOM 2055 CB LEU B 65 3.780 -12.144 1.236 1.00 32.50 C ATOM 2056 CG LEU B 65 2.445 -11.714 1.928 1.00 22.23 C ATOM 2057 CD1 LEU B 65 1.451 -11.117 0.909 1.00 54.31 C ATOM 2058 CD2 LEU B 65 1.815 -12.892 2.721 1.00 62.15 C ATOM 0 H LEU B 65 4.849 -10.801 3.044 1.00 74.45 H new ATOM 0 HA LEU B 65 4.479 -13.631 2.648 1.00 33.42 H new ATOM 0 HB2 LEU B 65 4.197 -11.278 0.721 1.00 32.50 H new ATOM 0 HB3 LEU B 65 3.550 -12.888 0.474 1.00 32.50 H new ATOM 0 HG LEU B 65 2.683 -10.930 2.647 1.00 22.23 H new ATOM 0 HD11 LEU B 65 0.534 -10.828 1.422 1.00 54.31 H new ATOM 0 HD12 LEU B 65 1.895 -10.240 0.438 1.00 54.31 H new ATOM 0 HD13 LEU B 65 1.221 -11.861 0.146 1.00 54.31 H new ATOM 0 HD21 LEU B 65 0.889 -12.561 3.190 1.00 62.15 H new ATOM 0 HD22 LEU B 65 1.602 -13.716 2.040 1.00 62.15 H new ATOM 0 HD23 LEU B 65 2.511 -13.227 3.490 1.00 62.15 H new ATOM 2070 N GLN B 66 6.879 -12.084 0.969 1.00 62.13 N ATOM 2071 CA GLN B 66 8.152 -12.218 0.226 1.00 45.45 C ATOM 2072 C GLN B 66 9.347 -12.324 1.212 1.00 53.41 C ATOM 2073 O GLN B 66 9.172 -12.690 2.376 1.00 32.14 O ATOM 2074 CB GLN B 66 8.323 -10.994 -0.718 1.00 41.54 C ATOM 2075 CG GLN B 66 7.224 -10.846 -1.799 1.00 34.24 C ATOM 2076 CD GLN B 66 7.402 -9.603 -2.684 1.00 20.44 C ATOM 2077 OE1 GLN B 66 7.916 -8.580 -2.252 1.00 71.11 O ATOM 2078 NE2 GLN B 66 6.981 -9.684 -3.930 1.00 72.41 N ATOM 0 H GLN B 66 6.614 -11.113 1.137 1.00 62.13 H new ATOM 0 HA GLN B 66 8.130 -13.130 -0.371 1.00 45.45 H new ATOM 0 HB2 GLN B 66 8.342 -10.087 -0.113 1.00 41.54 H new ATOM 0 HB3 GLN B 66 9.291 -11.068 -1.213 1.00 41.54 H new ATOM 0 HG2 GLN B 66 7.223 -11.735 -2.430 1.00 34.24 H new ATOM 0 HG3 GLN B 66 6.250 -10.800 -1.312 1.00 34.24 H new ATOM 0 HE21 GLN B 66 6.555 -10.547 -4.269 1.00 72.41 H new ATOM 0 HE22 GLN B 66 7.081 -8.884 -4.555 1.00 72.41 H new ATOM 2087 N VAL B 67 10.573 -12.056 0.728 1.00 52.23 N ATOM 2088 CA VAL B 67 11.771 -11.935 1.596 1.00 34.01 C ATOM 2089 C VAL B 67 12.033 -10.449 1.970 1.00 34.31 C ATOM 2090 O VAL B 67 11.867 -9.547 1.135 1.00 2.45 O ATOM 2091 CB VAL B 67 13.043 -12.578 0.912 1.00 45.01 C ATOM 2092 CG1 VAL B 67 12.884 -14.118 0.779 1.00 0.34 C ATOM 2093 CG2 VAL B 67 13.346 -11.924 -0.465 1.00 42.35 C ATOM 0 H VAL B 67 10.766 -11.918 -0.264 1.00 52.23 H new ATOM 0 HA VAL B 67 11.575 -12.488 2.515 1.00 34.01 H new ATOM 0 HB VAL B 67 13.898 -12.382 1.559 1.00 45.01 H new ATOM 0 HG11 VAL B 67 13.772 -14.536 0.305 1.00 0.34 H new ATOM 0 HG12 VAL B 67 12.759 -14.558 1.769 1.00 0.34 H new ATOM 0 HG13 VAL B 67 12.009 -14.342 0.170 1.00 0.34 H new ATOM 0 HG21 VAL B 67 14.227 -12.392 -0.904 1.00 42.35 H new ATOM 0 HG22 VAL B 67 12.493 -12.062 -1.129 1.00 42.35 H new ATOM 0 HG23 VAL B 67 13.531 -10.859 -0.329 1.00 42.35 H new ATOM 2103 N VAL B 68 12.404 -10.205 3.241 1.00 54.30 N ATOM 2104 CA VAL B 68 12.729 -8.846 3.743 1.00 23.04 C ATOM 2105 C VAL B 68 14.202 -8.479 3.394 1.00 34.44 C ATOM 2106 O VAL B 68 14.426 -7.604 2.529 1.00 37.62 O ATOM 2107 CB VAL B 68 12.490 -8.725 5.301 1.00 75.22 C ATOM 2108 CG1 VAL B 68 12.771 -7.285 5.811 1.00 2.03 C ATOM 2109 CG2 VAL B 68 11.063 -9.184 5.683 1.00 32.35 C ATOM 2110 OXT VAL B 68 15.132 -9.107 3.951 1.00 37.62 O ATOM 0 H VAL B 68 12.488 -10.935 3.948 1.00 54.30 H new ATOM 0 HA VAL B 68 12.058 -8.143 3.249 1.00 23.04 H new ATOM 0 HB VAL B 68 13.199 -9.390 5.794 1.00 75.22 H new ATOM 0 HG11 VAL B 68 12.596 -7.239 6.886 1.00 2.03 H new ATOM 0 HG12 VAL B 68 13.807 -7.020 5.600 1.00 2.03 H new ATOM 0 HG13 VAL B 68 12.107 -6.584 5.305 1.00 2.03 H new ATOM 0 HG21 VAL B 68 10.927 -9.090 6.760 1.00 32.35 H new ATOM 0 HG22 VAL B 68 10.331 -8.561 5.169 1.00 32.35 H new ATOM 0 HG23 VAL B 68 10.925 -10.225 5.389 1.00 32.35 H new