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 29 MET CE :methyl 177:sc= -0.682 (180deg=-0.774) USER MOD Set 1.2: A 33 TYR OH : rot -30:sc= 0.859 USER MOD Set 1.3: B 29 MET CE :methyl 172:sc= -0.665 (180deg=-0.726) USER MOD Set 1.4: B 33 TYR OH : rot 108:sc= 1.02 USER MOD Single : A 30 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0.031) USER MOD Single : A 32 CYS SG : rot 77:sc= 0.507 USER MOD Single : A 34 SER OG : rot 180:sc= 0.359 USER MOD Single : A 47 THR OG1 : rot -80:sc=-0.00189 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.4! K(o=-2.4!,f=-0.0069) USER MOD Single : A 56 GLN : amide:sc= 0.401 K(o=0.4,f=-0.1) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.936 USER MOD Single : A 66 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.1!) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : B 31 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.54) USER MOD Single : B 32 CYS SG : rot 83:sc= 0.177 USER MOD Single : B 34 SER OG : rot -72:sc= 0.264 USER MOD Single : B 47 THR OG1 : rot -160:sc= -0.369 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 50 SER OG : rot 180:sc= -0.102 USER MOD Single : B 51 GLN : amide:sc= -0.186 K(o=-0.19,f=-3.5!) USER MOD Single : B 56 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.29) USER MOD Single : B 61 TYR OH : rot 30:sc= -0.215 USER MOD Single : B 66 GLN : amide:sc= -2.04! K(o=-2!,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 9.216 14.006 4.892 1.00 21.31 N ATOM 372 CA ASP A 27 8.138 13.058 4.594 1.00 41.11 C ATOM 373 C ASP A 27 8.637 11.598 4.439 1.00 2.10 C ATOM 374 O ASP A 27 9.133 11.198 3.379 1.00 0.03 O ATOM 375 CB ASP A 27 7.303 13.534 3.366 1.00 62.24 C ATOM 376 CG ASP A 27 6.659 14.917 3.610 1.00 60.01 C ATOM 377 OD1 ASP A 27 7.325 15.955 3.376 1.00 35.24 O ATOM 378 OD2 ASP A 27 5.502 14.970 4.077 1.00 3.12 O ATOM 0 HA ASP A 27 7.477 13.045 5.461 1.00 41.11 H new ATOM 0 HB2 ASP A 27 7.945 13.582 2.487 1.00 62.24 H new ATOM 0 HB3 ASP A 27 6.523 12.803 3.151 1.00 62.24 H new ATOM 383 N ASP A 28 8.492 10.807 5.522 1.00 74.32 N ATOM 384 CA ASP A 28 8.782 9.358 5.505 1.00 53.12 C ATOM 385 C ASP A 28 7.822 8.624 4.535 1.00 12.12 C ATOM 386 O ASP A 28 8.187 7.596 3.968 1.00 53.50 O ATOM 387 CB ASP A 28 8.684 8.764 6.936 1.00 22.00 C ATOM 388 CG ASP A 28 9.032 7.259 6.996 1.00 14.21 C ATOM 389 OD1 ASP A 28 10.225 6.917 6.824 1.00 0.42 O ATOM 390 OD2 ASP A 28 8.121 6.416 7.167 1.00 4.43 O ATOM 0 H ASP A 28 8.173 11.152 6.427 1.00 74.32 H new ATOM 0 HA ASP A 28 9.802 9.214 5.148 1.00 53.12 H new ATOM 0 HB2 ASP A 28 9.356 9.312 7.597 1.00 22.00 H new ATOM 0 HB3 ASP A 28 7.673 8.912 7.315 1.00 22.00 H new ATOM 395 N MET A 29 6.595 9.181 4.335 1.00 31.25 N ATOM 396 CA MET A 29 5.623 8.629 3.361 1.00 20.13 C ATOM 397 C MET A 29 6.135 8.733 1.917 1.00 3.32 C ATOM 398 O MET A 29 5.796 7.895 1.100 1.00 43.44 O ATOM 399 CB MET A 29 4.233 9.300 3.460 1.00 73.21 C ATOM 400 CG MET A 29 4.180 10.819 3.232 1.00 33.24 C ATOM 401 SD MET A 29 2.525 11.384 2.751 1.00 53.51 S ATOM 402 CE MET A 29 1.455 10.338 3.749 1.00 55.00 C ATOM 0 H MET A 29 6.262 10.006 4.834 1.00 31.25 H new ATOM 0 HA MET A 29 5.514 7.577 3.625 1.00 20.13 H new ATOM 0 HB2 MET A 29 3.573 8.824 2.734 1.00 73.21 H new ATOM 0 HB3 MET A 29 3.824 9.090 4.448 1.00 73.21 H new ATOM 0 HG2 MET A 29 4.486 11.332 4.144 1.00 33.24 H new ATOM 0 HG3 MET A 29 4.895 11.093 2.456 1.00 33.24 H new ATOM 0 HE1 MET A 29 0.415 10.621 3.587 1.00 55.00 H new ATOM 0 HE2 MET A 29 1.596 9.296 3.463 1.00 55.00 H new ATOM 0 HE3 MET A 29 1.705 10.462 4.803 1.00 55.00 H new ATOM 412 N ASN A 30 6.955 9.762 1.626 1.00 42.44 N ATOM 413 CA ASN A 30 7.574 9.956 0.292 1.00 60.20 C ATOM 414 C ASN A 30 8.541 8.779 -0.017 1.00 41.54 C ATOM 415 O ASN A 30 8.483 8.176 -1.098 1.00 74.34 O ATOM 416 CB ASN A 30 8.316 11.325 0.260 1.00 3.40 C ATOM 417 CG ASN A 30 8.758 11.798 -1.136 1.00 12.22 C ATOM 418 OD1 ASN A 30 8.966 11.017 -2.055 1.00 72.25 O ATOM 419 ND2 ASN A 30 8.932 13.092 -1.295 1.00 41.03 N ATOM 0 H ASN A 30 7.209 10.481 2.303 1.00 42.44 H new ATOM 0 HA ASN A 30 6.803 9.966 -0.478 1.00 60.20 H new ATOM 0 HB2 ASN A 30 7.664 12.084 0.694 1.00 3.40 H new ATOM 0 HB3 ASN A 30 9.196 11.258 0.899 1.00 3.40 H new ATOM 0 HD21 ASN A 30 9.245 13.458 -2.194 1.00 41.03 H new ATOM 0 HD22 ASN A 30 8.754 13.730 -0.519 1.00 41.03 H new ATOM 426 N HIS A 31 9.399 8.451 0.970 1.00 5.25 N ATOM 427 CA HIS A 31 10.324 7.291 0.899 1.00 75.30 C ATOM 428 C HIS A 31 9.543 5.952 0.826 1.00 54.43 C ATOM 429 O HIS A 31 9.911 5.052 0.068 1.00 54.15 O ATOM 430 CB HIS A 31 11.273 7.277 2.122 1.00 44.44 C ATOM 431 CG HIS A 31 12.130 8.511 2.270 1.00 12.13 C ATOM 432 ND1 HIS A 31 13.379 8.589 1.704 1.00 53.21 N ATOM 433 CD2 HIS A 31 11.884 9.666 2.938 1.00 51.34 C ATOM 434 CE1 HIS A 31 13.860 9.770 2.036 1.00 21.13 C ATOM 435 NE2 HIS A 31 12.990 10.460 2.784 1.00 53.15 N ATOM 0 H HIS A 31 9.474 8.979 1.839 1.00 5.25 H new ATOM 0 HA HIS A 31 10.914 7.396 -0.011 1.00 75.30 H new ATOM 0 HB2 HIS A 31 10.677 7.155 3.026 1.00 44.44 H new ATOM 0 HB3 HIS A 31 11.924 6.406 2.050 1.00 44.44 H new ATOM 0 HD2 HIS A 31 10.987 9.913 3.487 1.00 51.34 H new ATOM 0 HE1 HIS A 31 14.833 10.135 1.742 1.00 21.13 H new ATOM 0 HE2 HIS A 31 13.125 11.396 3.166 1.00 53.15 H new ATOM 443 N CYS A 32 8.464 5.856 1.631 1.00 21.13 N ATOM 444 CA CYS A 32 7.554 4.684 1.667 1.00 51.50 C ATOM 445 C CYS A 32 6.806 4.480 0.329 1.00 41.11 C ATOM 446 O CYS A 32 6.599 3.352 -0.079 1.00 52.23 O ATOM 447 CB CYS A 32 6.528 4.804 2.825 1.00 14.40 C ATOM 448 SG CYS A 32 7.243 4.679 4.487 1.00 31.50 S ATOM 0 H CYS A 32 8.195 6.594 2.281 1.00 21.13 H new ATOM 0 HA CYS A 32 8.185 3.812 1.837 1.00 51.50 H new ATOM 0 HB2 CYS A 32 6.012 5.760 2.737 1.00 14.40 H new ATOM 0 HB3 CYS A 32 5.776 4.024 2.708 1.00 14.40 H new ATOM 0 HG CYS A 32 7.819 5.802 4.797 1.00 31.50 H new ATOM 454 N TYR A 33 6.429 5.591 -0.335 1.00 53.41 N ATOM 455 CA TYR A 33 5.717 5.579 -1.645 1.00 53.14 C ATOM 456 C TYR A 33 6.599 4.987 -2.769 1.00 50.51 C ATOM 457 O TYR A 33 6.125 4.214 -3.613 1.00 42.21 O ATOM 458 CB TYR A 33 5.237 7.021 -2.027 1.00 11.42 C ATOM 459 CG TYR A 33 3.788 7.356 -1.614 1.00 74.42 C ATOM 460 CD1 TYR A 33 2.735 6.581 -2.090 1.00 41.31 C ATOM 461 CD2 TYR A 33 3.461 8.452 -0.803 1.00 71.42 C ATOM 462 CE1 TYR A 33 1.430 6.872 -1.792 1.00 74.12 C ATOM 463 CE2 TYR A 33 2.150 8.745 -0.491 1.00 25.23 C ATOM 464 CZ TYR A 33 1.136 7.952 -0.988 1.00 62.24 C ATOM 465 OH TYR A 33 -0.169 8.244 -0.685 1.00 5.30 O ATOM 0 H TYR A 33 6.607 6.531 0.018 1.00 53.41 H new ATOM 0 HA TYR A 33 4.843 4.936 -1.537 1.00 53.14 H new ATOM 0 HB2 TYR A 33 5.907 7.745 -1.565 1.00 11.42 H new ATOM 0 HB3 TYR A 33 5.329 7.145 -3.106 1.00 11.42 H new ATOM 0 HD1 TYR A 33 2.953 5.726 -2.712 1.00 41.31 H new ATOM 0 HD2 TYR A 33 4.251 9.079 -0.415 1.00 71.42 H new ATOM 0 HE1 TYR A 33 0.634 6.257 -2.186 1.00 74.12 H new ATOM 0 HE2 TYR A 33 1.918 9.591 0.139 1.00 25.23 H new ATOM 0 HH TYR A 33 -0.748 7.960 -1.423 1.00 5.30 H new ATOM 475 N SER A 34 7.875 5.391 -2.773 1.00 20.15 N ATOM 476 CA SER A 34 8.898 4.826 -3.675 1.00 15.03 C ATOM 477 C SER A 34 9.152 3.335 -3.361 1.00 64.53 C ATOM 478 O SER A 34 9.259 2.511 -4.266 1.00 0.24 O ATOM 479 CB SER A 34 10.207 5.633 -3.554 1.00 34.32 C ATOM 480 OG SER A 34 9.993 6.991 -3.918 1.00 24.52 O ATOM 0 H SER A 34 8.232 6.118 -2.153 1.00 20.15 H new ATOM 0 HA SER A 34 8.531 4.894 -4.699 1.00 15.03 H new ATOM 0 HB2 SER A 34 10.580 5.579 -2.531 1.00 34.32 H new ATOM 0 HB3 SER A 34 10.971 5.195 -4.196 1.00 34.32 H new ATOM 0 HG SER A 34 10.833 7.489 -3.834 1.00 24.52 H new ATOM 486 N ARG A 35 9.203 3.015 -2.052 1.00 33.43 N ATOM 487 CA ARG A 35 9.466 1.651 -1.533 1.00 54.32 C ATOM 488 C ARG A 35 8.287 0.684 -1.848 1.00 34.15 C ATOM 489 O ARG A 35 8.499 -0.524 -2.007 1.00 51.45 O ATOM 490 CB ARG A 35 9.747 1.749 0.005 1.00 20.24 C ATOM 491 CG ARG A 35 10.831 0.800 0.562 1.00 73.14 C ATOM 492 CD ARG A 35 10.407 -0.675 0.662 1.00 33.03 C ATOM 493 NE ARG A 35 11.272 -1.411 1.602 1.00 3.43 N ATOM 494 CZ ARG A 35 11.751 -2.619 1.440 1.00 72.24 C ATOM 495 NH1 ARG A 35 11.612 -3.258 0.329 1.00 34.10 N ATOM 496 NH2 ARG A 35 12.423 -3.163 2.395 1.00 54.23 N ATOM 0 H ARG A 35 9.061 3.704 -1.313 1.00 33.43 H new ATOM 0 HA ARG A 35 10.341 1.232 -2.031 1.00 54.32 H new ATOM 0 HB2 ARG A 35 10.038 2.774 0.236 1.00 20.24 H new ATOM 0 HB3 ARG A 35 8.815 1.555 0.537 1.00 20.24 H new ATOM 0 HG2 ARG A 35 11.714 0.867 -0.073 1.00 73.14 H new ATOM 0 HG3 ARG A 35 11.124 1.147 1.553 1.00 73.14 H new ATOM 0 HD2 ARG A 35 9.370 -0.737 0.992 1.00 33.03 H new ATOM 0 HD3 ARG A 35 10.457 -1.139 -0.323 1.00 33.03 H new ATOM 0 HE ARG A 35 11.523 -0.931 2.466 1.00 3.43 H new ATOM 0 HH11 ARG A 35 11.119 -2.823 -0.451 1.00 34.10 H new ATOM 0 HH12 ARG A 35 11.995 -4.198 0.230 1.00 34.10 H new ATOM 0 HH21 ARG A 35 12.577 -2.653 3.265 1.00 54.23 H new ATOM 0 HH22 ARG A 35 12.801 -4.103 2.281 1.00 54.23 H new ATOM 510 N LEU A 36 7.055 1.240 -1.940 1.00 11.24 N ATOM 511 CA LEU A 36 5.878 0.497 -2.433 1.00 53.34 C ATOM 512 C LEU A 36 6.147 0.050 -3.878 1.00 3.15 C ATOM 513 O LEU A 36 6.151 -1.140 -4.162 1.00 33.45 O ATOM 514 CB LEU A 36 4.572 1.355 -2.383 1.00 54.42 C ATOM 515 CG LEU A 36 4.050 1.766 -0.968 1.00 33.34 C ATOM 516 CD1 LEU A 36 2.755 2.612 -1.057 1.00 1.01 C ATOM 517 CD2 LEU A 36 3.855 0.532 -0.057 1.00 60.25 C ATOM 0 H LEU A 36 6.854 2.205 -1.677 1.00 11.24 H new ATOM 0 HA LEU A 36 5.723 -0.364 -1.783 1.00 53.34 H new ATOM 0 HB2 LEU A 36 4.741 2.264 -2.960 1.00 54.42 H new ATOM 0 HB3 LEU A 36 3.782 0.800 -2.888 1.00 54.42 H new ATOM 0 HG LEU A 36 4.816 2.394 -0.513 1.00 33.34 H new ATOM 0 HD11 LEU A 36 2.424 2.878 -0.053 1.00 1.01 H new ATOM 0 HD12 LEU A 36 2.952 3.520 -1.626 1.00 1.01 H new ATOM 0 HD13 LEU A 36 1.976 2.034 -1.555 1.00 1.01 H new ATOM 0 HD21 LEU A 36 3.491 0.854 0.919 1.00 60.25 H new ATOM 0 HD22 LEU A 36 3.129 -0.144 -0.510 1.00 60.25 H new ATOM 0 HD23 LEU A 36 4.807 0.014 0.063 1.00 60.25 H new ATOM 529 N ARG A 37 6.472 1.031 -4.742 1.00 14.54 N ATOM 530 CA ARG A 37 6.760 0.806 -6.179 1.00 40.44 C ATOM 531 C ARG A 37 7.854 -0.270 -6.425 1.00 55.35 C ATOM 532 O ARG A 37 7.839 -0.940 -7.461 1.00 33.41 O ATOM 533 CB ARG A 37 7.156 2.143 -6.851 1.00 63.22 C ATOM 534 CG ARG A 37 5.999 3.161 -6.936 1.00 63.02 C ATOM 535 CD ARG A 37 6.396 4.460 -7.653 1.00 55.24 C ATOM 536 NE ARG A 37 7.343 5.278 -6.870 1.00 64.31 N ATOM 537 CZ ARG A 37 8.165 6.177 -7.371 1.00 64.32 C ATOM 538 NH1 ARG A 37 8.324 6.328 -8.648 1.00 32.25 N ATOM 539 NH2 ARG A 37 8.865 6.908 -6.578 1.00 13.31 N ATOM 0 H ARG A 37 6.544 2.010 -4.464 1.00 14.54 H new ATOM 0 HA ARG A 37 5.845 0.420 -6.629 1.00 40.44 H new ATOM 0 HB2 ARG A 37 7.980 2.589 -6.295 1.00 63.22 H new ATOM 0 HB3 ARG A 37 7.524 1.939 -7.857 1.00 63.22 H new ATOM 0 HG2 ARG A 37 5.159 2.705 -7.460 1.00 63.02 H new ATOM 0 HG3 ARG A 37 5.656 3.398 -5.929 1.00 63.02 H new ATOM 0 HD2 ARG A 37 6.844 4.216 -8.616 1.00 55.24 H new ATOM 0 HD3 ARG A 37 5.500 5.046 -7.857 1.00 55.24 H new ATOM 0 HE ARG A 37 7.362 5.136 -5.860 1.00 64.31 H new ATOM 0 HH11 ARG A 37 7.804 5.740 -9.300 1.00 32.25 H new ATOM 0 HH12 ARG A 37 8.969 7.034 -9.002 1.00 32.25 H new ATOM 0 HH21 ARG A 37 8.782 6.790 -5.568 1.00 13.31 H new ATOM 0 HH22 ARG A 37 9.504 7.606 -6.959 1.00 13.31 H new ATOM 553 N GLU A 38 8.778 -0.448 -5.447 1.00 41.32 N ATOM 554 CA GLU A 38 9.894 -1.422 -5.564 1.00 61.04 C ATOM 555 C GLU A 38 9.392 -2.871 -5.337 1.00 34.04 C ATOM 556 O GLU A 38 9.860 -3.816 -5.979 1.00 53.22 O ATOM 557 CB GLU A 38 11.028 -1.084 -4.549 1.00 74.15 C ATOM 558 CG GLU A 38 11.585 0.354 -4.624 1.00 31.35 C ATOM 559 CD GLU A 38 12.086 0.770 -6.021 1.00 60.10 C ATOM 560 OE1 GLU A 38 13.242 0.445 -6.377 1.00 10.10 O ATOM 561 OE2 GLU A 38 11.329 1.427 -6.774 1.00 4.21 O ATOM 0 H GLU A 38 8.772 0.070 -4.568 1.00 41.32 H new ATOM 0 HA GLU A 38 10.295 -1.350 -6.575 1.00 61.04 H new ATOM 0 HB2 GLU A 38 10.652 -1.256 -3.541 1.00 74.15 H new ATOM 0 HB3 GLU A 38 11.851 -1.782 -4.706 1.00 74.15 H new ATOM 0 HG2 GLU A 38 10.807 1.049 -4.308 1.00 31.35 H new ATOM 0 HG3 GLU A 38 12.406 0.450 -3.913 1.00 31.35 H new ATOM 568 N LEU A 39 8.426 -3.018 -4.412 1.00 52.11 N ATOM 569 CA LEU A 39 7.862 -4.331 -4.009 1.00 35.23 C ATOM 570 C LEU A 39 6.610 -4.733 -4.828 1.00 72.43 C ATOM 571 O LEU A 39 6.283 -5.920 -4.911 1.00 70.42 O ATOM 572 CB LEU A 39 7.501 -4.287 -2.504 1.00 62.42 C ATOM 573 CG LEU A 39 8.693 -4.065 -1.518 1.00 62.42 C ATOM 574 CD1 LEU A 39 8.185 -3.950 -0.060 1.00 31.43 C ATOM 575 CD2 LEU A 39 9.764 -5.188 -1.659 1.00 54.12 C ATOM 0 H LEU A 39 8.009 -2.229 -3.918 1.00 52.11 H new ATOM 0 HA LEU A 39 8.625 -5.084 -4.207 1.00 35.23 H new ATOM 0 HB2 LEU A 39 6.774 -3.490 -2.349 1.00 62.42 H new ATOM 0 HB3 LEU A 39 7.008 -5.223 -2.242 1.00 62.42 H new ATOM 0 HG LEU A 39 9.175 -3.123 -1.781 1.00 62.42 H new ATOM 0 HD11 LEU A 39 9.032 -3.796 0.609 1.00 31.43 H new ATOM 0 HD12 LEU A 39 7.500 -3.106 0.021 1.00 31.43 H new ATOM 0 HD13 LEU A 39 7.665 -4.867 0.218 1.00 31.43 H new ATOM 0 HD21 LEU A 39 10.579 -5.003 -0.959 1.00 54.12 H new ATOM 0 HD22 LEU A 39 9.309 -6.154 -1.440 1.00 54.12 H new ATOM 0 HD23 LEU A 39 10.154 -5.193 -2.677 1.00 54.12 H new ATOM 587 N VAL A 40 5.917 -3.737 -5.406 1.00 44.33 N ATOM 588 CA VAL A 40 4.614 -3.929 -6.099 1.00 24.12 C ATOM 589 C VAL A 40 4.795 -4.147 -7.632 1.00 4.20 C ATOM 590 O VAL A 40 5.148 -3.199 -8.348 1.00 62.52 O ATOM 591 CB VAL A 40 3.657 -2.691 -5.833 1.00 71.42 C ATOM 592 CG1 VAL A 40 2.310 -2.801 -6.590 1.00 3.22 C ATOM 593 CG2 VAL A 40 3.416 -2.501 -4.317 1.00 12.03 C ATOM 0 H VAL A 40 6.239 -2.769 -5.410 1.00 44.33 H new ATOM 0 HA VAL A 40 4.159 -4.830 -5.689 1.00 24.12 H new ATOM 0 HB VAL A 40 4.167 -1.811 -6.224 1.00 71.42 H new ATOM 0 HG11 VAL A 40 1.697 -1.927 -6.370 1.00 3.22 H new ATOM 0 HG12 VAL A 40 2.498 -2.852 -7.662 1.00 3.22 H new ATOM 0 HG13 VAL A 40 1.786 -3.702 -6.271 1.00 3.22 H new ATOM 0 HG21 VAL A 40 2.758 -1.647 -4.157 1.00 12.03 H new ATOM 0 HG22 VAL A 40 2.952 -3.398 -3.907 1.00 12.03 H new ATOM 0 HG23 VAL A 40 4.368 -2.323 -3.817 1.00 12.03 H new ATOM 603 N PRO A 41 4.555 -5.403 -8.166 1.00 1.44 N ATOM 604 CA PRO A 41 4.500 -5.668 -9.633 1.00 52.52 C ATOM 605 C PRO A 41 3.226 -5.086 -10.303 1.00 2.05 C ATOM 606 O PRO A 41 3.139 -5.037 -11.536 1.00 53.12 O ATOM 607 CB PRO A 41 4.544 -7.233 -9.735 1.00 72.32 C ATOM 608 CG PRO A 41 4.915 -7.703 -8.354 1.00 62.52 C ATOM 609 CD PRO A 41 4.357 -6.664 -7.413 1.00 61.23 C ATOM 0 HA PRO A 41 5.321 -5.184 -10.162 1.00 52.52 H new ATOM 0 HB2 PRO A 41 3.579 -7.636 -10.043 1.00 72.32 H new ATOM 0 HB3 PRO A 41 5.276 -7.560 -10.473 1.00 72.32 H new ATOM 0 HG2 PRO A 41 4.493 -8.687 -8.147 1.00 62.52 H new ATOM 0 HG3 PRO A 41 5.996 -7.790 -8.246 1.00 62.52 H new ATOM 0 HD2 PRO A 41 3.305 -6.842 -7.191 1.00 61.23 H new ATOM 0 HD3 PRO A 41 4.887 -6.654 -6.460 1.00 61.23 H new ATOM 617 N GLY A 42 2.231 -4.675 -9.470 1.00 52.22 N ATOM 618 CA GLY A 42 1.065 -3.895 -9.933 1.00 3.35 C ATOM 619 C GLY A 42 1.459 -2.554 -10.563 1.00 73.40 C ATOM 620 O GLY A 42 0.744 -2.031 -11.424 1.00 55.14 O ATOM 0 H GLY A 42 2.220 -4.876 -8.470 1.00 52.22 H new ATOM 0 HA2 GLY A 42 0.506 -4.483 -10.661 1.00 3.35 H new ATOM 0 HA3 GLY A 42 0.398 -3.713 -9.091 1.00 3.35 H new ATOM 624 N VAL A 43 2.598 -1.997 -10.099 1.00 53.21 N ATOM 625 CA VAL A 43 3.306 -0.893 -10.780 1.00 31.43 C ATOM 626 C VAL A 43 4.073 -1.463 -12.015 1.00 42.03 C ATOM 627 O VAL A 43 5.041 -2.214 -11.836 1.00 3.32 O ATOM 628 CB VAL A 43 4.310 -0.165 -9.796 1.00 3.32 C ATOM 629 CG1 VAL A 43 5.125 0.952 -10.510 1.00 74.31 C ATOM 630 CG2 VAL A 43 3.554 0.387 -8.558 1.00 34.34 C ATOM 0 H VAL A 43 3.053 -2.302 -9.239 1.00 53.21 H new ATOM 0 HA VAL A 43 2.575 -0.155 -11.110 1.00 31.43 H new ATOM 0 HB VAL A 43 5.032 -0.907 -9.454 1.00 3.32 H new ATOM 0 HG11 VAL A 43 5.800 1.423 -9.796 1.00 74.31 H new ATOM 0 HG12 VAL A 43 5.705 0.516 -11.324 1.00 74.31 H new ATOM 0 HG13 VAL A 43 4.442 1.700 -10.912 1.00 74.31 H new ATOM 0 HG21 VAL A 43 4.260 0.884 -7.893 1.00 34.34 H new ATOM 0 HG22 VAL A 43 2.797 1.101 -8.883 1.00 34.34 H new ATOM 0 HG23 VAL A 43 3.074 -0.436 -8.028 1.00 34.34 H new ATOM 640 N PRO A 44 3.643 -1.151 -13.284 1.00 1.14 N ATOM 641 CA PRO A 44 4.313 -1.669 -14.514 1.00 51.11 C ATOM 642 C PRO A 44 5.734 -1.072 -14.740 1.00 11.11 C ATOM 643 O PRO A 44 6.211 -0.259 -13.932 1.00 3.22 O ATOM 644 CB PRO A 44 3.327 -1.279 -15.663 1.00 70.14 C ATOM 645 CG PRO A 44 2.047 -0.893 -14.970 1.00 24.12 C ATOM 646 CD PRO A 44 2.468 -0.312 -13.639 1.00 2.13 C ATOM 0 HA PRO A 44 4.496 -2.742 -14.452 1.00 51.11 H new ATOM 0 HB2 PRO A 44 3.719 -0.452 -16.255 1.00 70.14 H new ATOM 0 HB3 PRO A 44 3.169 -2.113 -16.346 1.00 70.14 H new ATOM 0 HG2 PRO A 44 1.487 -0.165 -15.557 1.00 24.12 H new ATOM 0 HG3 PRO A 44 1.398 -1.758 -14.833 1.00 24.12 H new ATOM 0 HD2 PRO A 44 2.731 0.743 -13.721 1.00 2.13 H new ATOM 0 HD3 PRO A 44 1.676 -0.386 -12.894 1.00 2.13 H new ATOM 654 N ARG A 45 6.383 -1.471 -15.862 1.00 55.43 N ATOM 655 CA ARG A 45 7.763 -1.037 -16.229 1.00 11.34 C ATOM 656 C ARG A 45 7.898 0.516 -16.289 1.00 3.34 C ATOM 657 O ARG A 45 7.445 1.161 -17.249 1.00 41.21 O ATOM 658 CB ARG A 45 8.171 -1.681 -17.588 1.00 41.44 C ATOM 659 CG ARG A 45 9.621 -1.381 -18.047 1.00 53.42 C ATOM 660 CD ARG A 45 9.928 -1.948 -19.449 1.00 72.32 C ATOM 661 NE ARG A 45 11.308 -1.641 -19.889 1.00 22.05 N ATOM 662 CZ ARG A 45 11.690 -1.416 -21.137 1.00 71.30 C ATOM 663 NH1 ARG A 45 10.837 -1.379 -22.115 1.00 3.04 N ATOM 664 NH2 ARG A 45 12.936 -1.199 -21.396 1.00 4.12 N ATOM 0 H ARG A 45 5.966 -2.105 -16.543 1.00 55.43 H new ATOM 0 HA ARG A 45 8.441 -1.380 -15.447 1.00 11.34 H new ATOM 0 HB2 ARG A 45 8.046 -2.761 -17.513 1.00 41.44 H new ATOM 0 HB3 ARG A 45 7.483 -1.333 -18.359 1.00 41.44 H new ATOM 0 HG2 ARG A 45 9.781 -0.303 -18.052 1.00 53.42 H new ATOM 0 HG3 ARG A 45 10.321 -1.804 -17.327 1.00 53.42 H new ATOM 0 HD2 ARG A 45 9.783 -3.028 -19.441 1.00 72.32 H new ATOM 0 HD3 ARG A 45 9.220 -1.537 -20.168 1.00 72.32 H new ATOM 0 HE ARG A 45 12.028 -1.599 -19.168 1.00 22.05 H new ATOM 0 HH11 ARG A 45 9.844 -1.525 -21.932 1.00 3.04 H new ATOM 0 HH12 ARG A 45 11.160 -1.204 -23.067 1.00 3.04 H new ATOM 0 HH21 ARG A 45 13.622 -1.201 -20.641 1.00 4.12 H new ATOM 0 HH22 ARG A 45 13.235 -1.025 -22.356 1.00 4.12 H new ATOM 678 N GLY A 46 8.511 1.093 -15.233 1.00 41.35 N ATOM 679 CA GLY A 46 8.620 2.547 -15.078 1.00 44.44 C ATOM 680 C GLY A 46 7.280 3.192 -14.707 1.00 45.03 C ATOM 681 O GLY A 46 6.944 3.275 -13.519 1.00 64.42 O ATOM 0 H GLY A 46 8.939 0.563 -14.474 1.00 41.35 H new ATOM 0 HA2 GLY A 46 9.356 2.774 -14.307 1.00 44.44 H new ATOM 0 HA3 GLY A 46 8.986 2.983 -16.007 1.00 44.44 H new ATOM 685 N THR A 47 6.524 3.626 -15.748 1.00 14.22 N ATOM 686 CA THR A 47 5.135 4.166 -15.639 1.00 0.03 C ATOM 687 C THR A 47 5.078 5.576 -14.978 1.00 75.10 C ATOM 688 O THR A 47 5.905 5.915 -14.130 1.00 15.14 O ATOM 689 CB THR A 47 4.175 3.175 -14.875 1.00 53.51 C ATOM 690 OG1 THR A 47 4.393 1.838 -15.337 1.00 71.14 O ATOM 691 CG2 THR A 47 2.679 3.519 -15.059 1.00 72.14 C ATOM 0 H THR A 47 6.866 3.612 -16.709 1.00 14.22 H new ATOM 0 HA THR A 47 4.786 4.270 -16.666 1.00 0.03 H new ATOM 0 HB THR A 47 4.411 3.270 -13.815 1.00 53.51 H new ATOM 0 HG1 THR A 47 3.920 1.704 -16.185 1.00 71.14 H new ATOM 0 HG21 THR A 47 2.070 2.801 -14.509 1.00 72.14 H new ATOM 0 HG22 THR A 47 2.487 4.523 -14.680 1.00 72.14 H new ATOM 0 HG23 THR A 47 2.423 3.476 -16.118 1.00 72.14 H new ATOM 699 N GLN A 48 4.093 6.396 -15.403 1.00 3.53 N ATOM 700 CA GLN A 48 3.799 7.714 -14.791 1.00 25.41 C ATOM 701 C GLN A 48 2.664 7.566 -13.757 1.00 75.23 C ATOM 702 O GLN A 48 1.481 7.526 -14.121 1.00 20.54 O ATOM 703 CB GLN A 48 3.391 8.736 -15.887 1.00 52.42 C ATOM 704 CG GLN A 48 4.460 8.960 -16.970 1.00 42.54 C ATOM 705 CD GLN A 48 4.024 9.948 -18.059 1.00 33.32 C ATOM 706 OE1 GLN A 48 2.847 10.087 -18.362 1.00 52.43 O ATOM 707 NE2 GLN A 48 4.966 10.619 -18.674 1.00 71.12 N ATOM 0 H GLN A 48 3.477 6.164 -16.182 1.00 3.53 H new ATOM 0 HA GLN A 48 4.695 8.080 -14.289 1.00 25.41 H new ATOM 0 HB2 GLN A 48 2.473 8.393 -16.364 1.00 52.42 H new ATOM 0 HB3 GLN A 48 3.166 9.691 -15.412 1.00 52.42 H new ATOM 0 HG2 GLN A 48 5.372 9.328 -16.500 1.00 42.54 H new ATOM 0 HG3 GLN A 48 4.704 8.004 -17.433 1.00 42.54 H new ATOM 0 HE21 GLN A 48 5.942 10.489 -18.407 1.00 71.12 H new ATOM 0 HE22 GLN A 48 4.724 11.271 -19.420 1.00 71.12 H new ATOM 716 N LEU A 49 3.037 7.443 -12.473 1.00 22.22 N ATOM 717 CA LEU A 49 2.073 7.285 -11.358 1.00 41.23 C ATOM 718 C LEU A 49 2.164 8.467 -10.372 1.00 51.34 C ATOM 719 O LEU A 49 3.240 8.769 -9.853 1.00 61.03 O ATOM 720 CB LEU A 49 2.308 5.946 -10.602 1.00 75.13 C ATOM 721 CG LEU A 49 2.108 4.646 -11.445 1.00 1.52 C ATOM 722 CD1 LEU A 49 2.354 3.389 -10.592 1.00 12.14 C ATOM 723 CD2 LEU A 49 0.704 4.602 -12.117 1.00 33.20 C ATOM 0 H LEU A 49 4.012 7.450 -12.173 1.00 22.22 H new ATOM 0 HA LEU A 49 1.073 7.271 -11.792 1.00 41.23 H new ATOM 0 HB2 LEU A 49 3.324 5.947 -10.206 1.00 75.13 H new ATOM 0 HB3 LEU A 49 1.633 5.910 -9.747 1.00 75.13 H new ATOM 0 HG LEU A 49 2.849 4.662 -12.244 1.00 1.52 H new ATOM 0 HD11 LEU A 49 2.208 2.499 -11.204 1.00 12.14 H new ATOM 0 HD12 LEU A 49 3.375 3.403 -10.210 1.00 12.14 H new ATOM 0 HD13 LEU A 49 1.654 3.373 -9.757 1.00 12.14 H new ATOM 0 HD21 LEU A 49 0.605 3.682 -12.694 1.00 33.20 H new ATOM 0 HD22 LEU A 49 -0.068 4.633 -11.348 1.00 33.20 H new ATOM 0 HD23 LEU A 49 0.591 5.460 -12.780 1.00 33.20 H new ATOM 735 N SER A 50 1.021 9.131 -10.143 1.00 61.23 N ATOM 736 CA SER A 50 0.868 10.153 -9.080 1.00 64.40 C ATOM 737 C SER A 50 0.696 9.483 -7.694 1.00 51.04 C ATOM 738 O SER A 50 0.645 8.253 -7.597 1.00 5.50 O ATOM 739 CB SER A 50 -0.345 11.058 -9.403 1.00 71.34 C ATOM 740 OG SER A 50 -0.169 11.738 -10.636 1.00 41.41 O ATOM 0 H SER A 50 0.172 8.979 -10.687 1.00 61.23 H new ATOM 0 HA SER A 50 1.770 10.765 -9.045 1.00 64.40 H new ATOM 0 HB2 SER A 50 -1.251 10.454 -9.445 1.00 71.34 H new ATOM 0 HB3 SER A 50 -0.483 11.784 -8.602 1.00 71.34 H new ATOM 0 HG SER A 50 -0.952 12.300 -10.814 1.00 41.41 H new ATOM 746 N GLN A 51 0.591 10.303 -6.629 1.00 75.34 N ATOM 747 CA GLN A 51 0.468 9.818 -5.229 1.00 23.10 C ATOM 748 C GLN A 51 -0.768 8.900 -5.024 1.00 45.42 C ATOM 749 O GLN A 51 -0.692 7.900 -4.297 1.00 32.41 O ATOM 750 CB GLN A 51 0.408 11.018 -4.239 1.00 44.14 C ATOM 751 CG GLN A 51 1.637 11.970 -4.258 1.00 31.30 C ATOM 752 CD GLN A 51 2.892 11.464 -3.509 1.00 4.43 C ATOM 753 OE1 GLN A 51 3.660 12.257 -2.972 1.00 30.34 O ATOM 754 NE2 GLN A 51 3.139 10.166 -3.476 1.00 15.34 N ATOM 0 H GLN A 51 0.589 11.320 -6.709 1.00 75.34 H new ATOM 0 HA GLN A 51 1.356 9.220 -5.024 1.00 23.10 H new ATOM 0 HB2 GLN A 51 -0.485 11.603 -4.460 1.00 44.14 H new ATOM 0 HB3 GLN A 51 0.291 10.626 -3.229 1.00 44.14 H new ATOM 0 HG2 GLN A 51 1.909 12.161 -5.296 1.00 31.30 H new ATOM 0 HG3 GLN A 51 1.340 12.925 -3.826 1.00 31.30 H new ATOM 0 HE21 GLN A 51 2.496 9.513 -3.924 1.00 15.34 H new ATOM 0 HE22 GLN A 51 3.972 9.817 -3.002 1.00 15.34 H new ATOM 763 N VAL A 52 -1.894 9.253 -5.683 1.00 53.44 N ATOM 764 CA VAL A 52 -3.134 8.433 -5.655 1.00 44.41 C ATOM 765 C VAL A 52 -2.917 7.100 -6.405 1.00 53.11 C ATOM 766 O VAL A 52 -3.272 6.030 -5.914 1.00 2.34 O ATOM 767 CB VAL A 52 -4.378 9.162 -6.310 1.00 34.14 C ATOM 768 CG1 VAL A 52 -5.700 8.447 -5.919 1.00 65.44 C ATOM 769 CG2 VAL A 52 -4.424 10.661 -5.949 1.00 64.30 C ATOM 0 H VAL A 52 -1.973 10.102 -6.243 1.00 53.44 H new ATOM 0 HA VAL A 52 -3.351 8.262 -4.601 1.00 44.41 H new ATOM 0 HB VAL A 52 -4.263 9.101 -7.392 1.00 34.14 H new ATOM 0 HG11 VAL A 52 -6.543 8.963 -6.379 1.00 65.44 H new ATOM 0 HG12 VAL A 52 -5.672 7.415 -6.268 1.00 65.44 H new ATOM 0 HG13 VAL A 52 -5.814 8.461 -4.835 1.00 65.44 H new ATOM 0 HG21 VAL A 52 -5.293 11.122 -6.419 1.00 64.30 H new ATOM 0 HG22 VAL A 52 -4.495 10.773 -4.867 1.00 64.30 H new ATOM 0 HG23 VAL A 52 -3.517 11.149 -6.305 1.00 64.30 H new ATOM 779 N GLU A 53 -2.308 7.210 -7.600 1.00 43.32 N ATOM 780 CA GLU A 53 -2.047 6.077 -8.515 1.00 40.33 C ATOM 781 C GLU A 53 -1.187 4.969 -7.871 1.00 4.51 C ATOM 782 O GLU A 53 -1.399 3.791 -8.143 1.00 32.01 O ATOM 783 CB GLU A 53 -1.364 6.607 -9.800 1.00 10.23 C ATOM 784 CG GLU A 53 -2.242 7.516 -10.675 1.00 41.23 C ATOM 785 CD GLU A 53 -3.429 6.760 -11.294 1.00 22.33 C ATOM 786 OE1 GLU A 53 -3.220 6.024 -12.285 1.00 20.44 O ATOM 787 OE2 GLU A 53 -4.560 6.879 -10.783 1.00 14.44 O ATOM 0 H GLU A 53 -1.977 8.103 -7.966 1.00 43.32 H new ATOM 0 HA GLU A 53 -3.007 5.621 -8.756 1.00 40.33 H new ATOM 0 HB2 GLU A 53 -0.467 7.158 -9.516 1.00 10.23 H new ATOM 0 HB3 GLU A 53 -1.039 5.756 -10.398 1.00 10.23 H new ATOM 0 HG2 GLU A 53 -2.616 8.345 -10.074 1.00 41.23 H new ATOM 0 HG3 GLU A 53 -1.635 7.948 -11.470 1.00 41.23 H new ATOM 794 N ILE A 54 -0.220 5.359 -7.024 1.00 22.52 N ATOM 795 CA ILE A 54 0.600 4.391 -6.258 1.00 74.21 C ATOM 796 C ILE A 54 -0.289 3.581 -5.276 1.00 51.53 C ATOM 797 O ILE A 54 -0.208 2.354 -5.242 1.00 64.34 O ATOM 798 CB ILE A 54 1.775 5.098 -5.487 1.00 51.11 C ATOM 799 CG1 ILE A 54 2.714 5.872 -6.482 1.00 43.33 C ATOM 800 CG2 ILE A 54 2.586 4.077 -4.632 1.00 13.54 C ATOM 801 CD1 ILE A 54 3.845 6.652 -5.825 1.00 43.43 C ATOM 0 H ILE A 54 0.017 6.336 -6.849 1.00 22.52 H new ATOM 0 HA ILE A 54 1.049 3.703 -6.975 1.00 74.21 H new ATOM 0 HB ILE A 54 1.335 5.825 -4.804 1.00 51.11 H new ATOM 0 HG12 ILE A 54 3.145 5.156 -7.182 1.00 43.33 H new ATOM 0 HG13 ILE A 54 2.107 6.564 -7.067 1.00 43.33 H new ATOM 0 HG21 ILE A 54 3.391 4.596 -4.112 1.00 13.54 H new ATOM 0 HG22 ILE A 54 1.926 3.608 -3.903 1.00 13.54 H new ATOM 0 HG23 ILE A 54 3.009 3.312 -5.283 1.00 13.54 H new ATOM 0 HD11 ILE A 54 4.437 7.151 -6.593 1.00 43.43 H new ATOM 0 HD12 ILE A 54 3.428 7.397 -5.147 1.00 43.43 H new ATOM 0 HD13 ILE A 54 4.481 5.967 -5.264 1.00 43.43 H new ATOM 813 N LEU A 55 -1.169 4.288 -4.526 1.00 71.12 N ATOM 814 CA LEU A 55 -2.152 3.658 -3.600 1.00 41.03 C ATOM 815 C LEU A 55 -3.046 2.623 -4.325 1.00 22.33 C ATOM 816 O LEU A 55 -3.257 1.514 -3.832 1.00 65.21 O ATOM 817 CB LEU A 55 -3.067 4.741 -2.957 1.00 71.15 C ATOM 818 CG LEU A 55 -2.365 5.823 -2.083 1.00 3.13 C ATOM 819 CD1 LEU A 55 -3.370 6.906 -1.613 1.00 64.31 C ATOM 820 CD2 LEU A 55 -1.637 5.177 -0.882 1.00 32.23 C ATOM 0 H LEU A 55 -1.220 5.307 -4.543 1.00 71.12 H new ATOM 0 HA LEU A 55 -1.576 3.146 -2.829 1.00 41.03 H new ATOM 0 HB2 LEU A 55 -3.607 5.248 -3.757 1.00 71.15 H new ATOM 0 HB3 LEU A 55 -3.810 4.236 -2.340 1.00 71.15 H new ATOM 0 HG LEU A 55 -1.616 6.317 -2.702 1.00 3.13 H new ATOM 0 HD11 LEU A 55 -2.849 7.646 -1.005 1.00 64.31 H new ATOM 0 HD12 LEU A 55 -3.811 7.395 -2.482 1.00 64.31 H new ATOM 0 HD13 LEU A 55 -4.157 6.439 -1.021 1.00 64.31 H new ATOM 0 HD21 LEU A 55 -1.155 5.954 -0.288 1.00 32.23 H new ATOM 0 HD22 LEU A 55 -2.358 4.642 -0.264 1.00 32.23 H new ATOM 0 HD23 LEU A 55 -0.883 4.479 -1.246 1.00 32.23 H new ATOM 832 N GLN A 56 -3.545 3.015 -5.512 1.00 42.42 N ATOM 833 CA GLN A 56 -4.469 2.194 -6.320 1.00 20.21 C ATOM 834 C GLN A 56 -3.755 0.977 -6.960 1.00 20.40 C ATOM 835 O GLN A 56 -4.336 -0.097 -7.039 1.00 73.45 O ATOM 836 CB GLN A 56 -5.162 3.071 -7.397 1.00 51.11 C ATOM 837 CG GLN A 56 -5.926 4.282 -6.809 1.00 24.44 C ATOM 838 CD GLN A 56 -6.768 5.076 -7.813 1.00 61.03 C ATOM 839 OE1 GLN A 56 -6.483 5.133 -9.001 1.00 0.24 O ATOM 840 NE2 GLN A 56 -7.812 5.712 -7.319 1.00 44.33 N ATOM 0 H GLN A 56 -3.319 3.913 -5.940 1.00 42.42 H new ATOM 0 HA GLN A 56 -5.232 1.794 -5.653 1.00 20.21 H new ATOM 0 HB2 GLN A 56 -4.410 3.432 -8.099 1.00 51.11 H new ATOM 0 HB3 GLN A 56 -5.858 2.453 -7.965 1.00 51.11 H new ATOM 0 HG2 GLN A 56 -6.580 3.926 -6.013 1.00 24.44 H new ATOM 0 HG3 GLN A 56 -5.204 4.958 -6.350 1.00 24.44 H new ATOM 0 HE21 GLN A 56 -8.025 5.646 -6.324 1.00 44.33 H new ATOM 0 HE22 GLN A 56 -8.406 6.270 -7.932 1.00 44.33 H new ATOM 849 N ARG A 57 -2.486 1.159 -7.391 1.00 25.33 N ATOM 850 CA ARG A 57 -1.638 0.053 -7.925 1.00 64.04 C ATOM 851 C ARG A 57 -1.273 -0.970 -6.822 1.00 22.22 C ATOM 852 O ARG A 57 -1.063 -2.154 -7.117 1.00 45.31 O ATOM 853 CB ARG A 57 -0.354 0.615 -8.622 1.00 51.22 C ATOM 854 CG ARG A 57 -0.435 0.801 -10.168 1.00 71.41 C ATOM 855 CD ARG A 57 -1.471 1.842 -10.657 1.00 52.33 C ATOM 856 NE ARG A 57 -2.864 1.368 -10.580 1.00 44.25 N ATOM 857 CZ ARG A 57 -3.910 2.001 -11.059 1.00 2.11 C ATOM 858 NH1 ARG A 57 -3.810 3.178 -11.595 1.00 72.23 N ATOM 859 NH2 ARG A 57 -5.070 1.443 -10.978 1.00 71.53 N ATOM 0 H ARG A 57 -2.018 2.065 -7.382 1.00 25.33 H new ATOM 0 HA ARG A 57 -2.225 -0.475 -8.677 1.00 64.04 H new ATOM 0 HB2 ARG A 57 -0.115 1.579 -8.173 1.00 51.22 H new ATOM 0 HB3 ARG A 57 0.477 -0.055 -8.401 1.00 51.22 H new ATOM 0 HG2 ARG A 57 0.549 1.093 -10.534 1.00 71.41 H new ATOM 0 HG3 ARG A 57 -0.671 -0.162 -10.621 1.00 71.41 H new ATOM 0 HD2 ARG A 57 -1.371 2.749 -10.061 1.00 52.33 H new ATOM 0 HD3 ARG A 57 -1.244 2.111 -11.689 1.00 52.33 H new ATOM 0 HE ARG A 57 -3.029 0.475 -10.116 1.00 44.25 H new ATOM 0 HH11 ARG A 57 -2.901 3.636 -11.653 1.00 72.23 H new ATOM 0 HH12 ARG A 57 -4.641 3.645 -11.959 1.00 72.23 H new ATOM 0 HH21 ARG A 57 -5.165 0.524 -10.547 1.00 71.53 H new ATOM 0 HH22 ARG A 57 -5.893 1.921 -11.345 1.00 71.53 H new ATOM 873 N VAL A 58 -1.186 -0.498 -5.562 1.00 61.31 N ATOM 874 CA VAL A 58 -1.062 -1.384 -4.388 1.00 35.11 C ATOM 875 C VAL A 58 -2.361 -2.203 -4.187 1.00 44.44 C ATOM 876 O VAL A 58 -2.294 -3.405 -3.944 1.00 31.04 O ATOM 877 CB VAL A 58 -0.712 -0.593 -3.070 1.00 45.14 C ATOM 878 CG1 VAL A 58 -0.768 -1.509 -1.822 1.00 2.40 C ATOM 879 CG2 VAL A 58 0.676 0.088 -3.184 1.00 14.40 C ATOM 0 H VAL A 58 -1.199 0.496 -5.331 1.00 61.31 H new ATOM 0 HA VAL A 58 -0.233 -2.062 -4.590 1.00 35.11 H new ATOM 0 HB VAL A 58 -1.468 0.183 -2.947 1.00 45.14 H new ATOM 0 HG11 VAL A 58 -0.521 -0.928 -0.933 1.00 2.40 H new ATOM 0 HG12 VAL A 58 -1.771 -1.922 -1.718 1.00 2.40 H new ATOM 0 HG13 VAL A 58 -0.051 -2.322 -1.935 1.00 2.40 H new ATOM 0 HG21 VAL A 58 0.894 0.627 -2.262 1.00 14.40 H new ATOM 0 HG22 VAL A 58 1.441 -0.671 -3.350 1.00 14.40 H new ATOM 0 HG23 VAL A 58 0.671 0.787 -4.020 1.00 14.40 H new ATOM 889 N ILE A 59 -3.534 -1.541 -4.308 1.00 52.40 N ATOM 890 CA ILE A 59 -4.853 -2.220 -4.223 1.00 10.40 C ATOM 891 C ILE A 59 -4.977 -3.320 -5.314 1.00 44.05 C ATOM 892 O ILE A 59 -5.439 -4.419 -5.025 1.00 72.44 O ATOM 893 CB ILE A 59 -6.049 -1.192 -4.332 1.00 74.42 C ATOM 894 CG1 ILE A 59 -5.973 -0.135 -3.175 1.00 12.02 C ATOM 895 CG2 ILE A 59 -7.433 -1.906 -4.336 1.00 1.11 C ATOM 896 CD1 ILE A 59 -7.022 0.966 -3.231 1.00 30.21 C ATOM 0 H ILE A 59 -3.597 -0.535 -4.465 1.00 52.40 H new ATOM 0 HA ILE A 59 -4.914 -2.693 -3.243 1.00 10.40 H new ATOM 0 HB ILE A 59 -5.950 -0.675 -5.287 1.00 74.42 H new ATOM 0 HG12 ILE A 59 -6.067 -0.656 -2.222 1.00 12.02 H new ATOM 0 HG13 ILE A 59 -4.985 0.326 -3.190 1.00 12.02 H new ATOM 0 HG21 ILE A 59 -8.226 -1.162 -4.412 1.00 1.11 H new ATOM 0 HG22 ILE A 59 -7.490 -2.585 -5.187 1.00 1.11 H new ATOM 0 HG23 ILE A 59 -7.553 -2.471 -3.412 1.00 1.11 H new ATOM 0 HD11 ILE A 59 -6.883 1.644 -2.389 1.00 30.21 H new ATOM 0 HD12 ILE A 59 -6.918 1.520 -4.164 1.00 30.21 H new ATOM 0 HD13 ILE A 59 -8.017 0.524 -3.181 1.00 30.21 H new ATOM 908 N ASP A 60 -4.502 -3.012 -6.549 1.00 21.03 N ATOM 909 CA ASP A 60 -4.433 -3.990 -7.670 1.00 1.24 C ATOM 910 C ASP A 60 -3.551 -5.204 -7.310 1.00 13.34 C ATOM 911 O ASP A 60 -3.938 -6.345 -7.550 1.00 30.44 O ATOM 912 CB ASP A 60 -3.906 -3.323 -8.969 1.00 22.43 C ATOM 913 CG ASP A 60 -4.865 -2.274 -9.544 1.00 24.33 C ATOM 914 OD1 ASP A 60 -6.038 -2.611 -9.805 1.00 15.51 O ATOM 915 OD2 ASP A 60 -4.458 -1.113 -9.750 1.00 51.05 O ATOM 0 H ASP A 60 -4.158 -2.084 -6.796 1.00 21.03 H new ATOM 0 HA ASP A 60 -5.449 -4.342 -7.845 1.00 1.24 H new ATOM 0 HB2 ASP A 60 -2.945 -2.852 -8.763 1.00 22.43 H new ATOM 0 HB3 ASP A 60 -3.729 -4.094 -9.719 1.00 22.43 H new ATOM 920 N TYR A 61 -2.377 -4.929 -6.710 1.00 34.32 N ATOM 921 CA TYR A 61 -1.449 -5.972 -6.212 1.00 52.01 C ATOM 922 C TYR A 61 -2.137 -6.915 -5.194 1.00 30.41 C ATOM 923 O TYR A 61 -1.972 -8.138 -5.258 1.00 50.33 O ATOM 924 CB TYR A 61 -0.196 -5.308 -5.574 1.00 0.10 C ATOM 925 CG TYR A 61 0.697 -6.258 -4.745 1.00 30.21 C ATOM 926 CD1 TYR A 61 1.490 -7.221 -5.367 1.00 45.41 C ATOM 927 CD2 TYR A 61 0.696 -6.228 -3.344 1.00 42.25 C ATOM 928 CE1 TYR A 61 2.269 -8.093 -4.634 1.00 33.31 C ATOM 929 CE2 TYR A 61 1.480 -7.093 -2.614 1.00 15.31 C ATOM 930 CZ TYR A 61 2.248 -8.036 -3.260 1.00 62.02 C ATOM 931 OH TYR A 61 3.014 -8.919 -2.526 1.00 53.33 O ATOM 0 H TYR A 61 -2.042 -3.978 -6.555 1.00 34.32 H new ATOM 0 HA TYR A 61 -1.141 -6.579 -7.063 1.00 52.01 H new ATOM 0 HB2 TYR A 61 0.407 -4.868 -6.368 1.00 0.10 H new ATOM 0 HB3 TYR A 61 -0.524 -4.490 -4.932 1.00 0.10 H new ATOM 0 HD1 TYR A 61 1.495 -7.286 -6.445 1.00 45.41 H new ATOM 0 HD2 TYR A 61 0.070 -5.515 -2.828 1.00 42.25 H new ATOM 0 HE1 TYR A 61 2.893 -8.817 -5.137 1.00 33.31 H new ATOM 0 HE2 TYR A 61 1.493 -7.032 -1.536 1.00 15.31 H new ATOM 0 HH TYR A 61 3.815 -9.161 -3.037 1.00 53.33 H new ATOM 941 N ILE A 62 -2.897 -6.327 -4.252 1.00 22.44 N ATOM 942 CA ILE A 62 -3.616 -7.100 -3.219 1.00 53.54 C ATOM 943 C ILE A 62 -4.795 -7.897 -3.854 1.00 24.11 C ATOM 944 O ILE A 62 -5.153 -8.962 -3.362 1.00 51.32 O ATOM 945 CB ILE A 62 -4.121 -6.190 -2.026 1.00 41.24 C ATOM 946 CG1 ILE A 62 -2.964 -5.283 -1.470 1.00 54.32 C ATOM 947 CG2 ILE A 62 -4.704 -7.058 -0.877 1.00 21.43 C ATOM 948 CD1 ILE A 62 -3.388 -4.263 -0.412 1.00 2.23 C ATOM 0 H ILE A 62 -3.030 -5.318 -4.184 1.00 22.44 H new ATOM 0 HA ILE A 62 -2.905 -7.808 -2.793 1.00 53.54 H new ATOM 0 HB ILE A 62 -4.908 -5.546 -2.419 1.00 41.24 H new ATOM 0 HG12 ILE A 62 -2.193 -5.925 -1.044 1.00 54.32 H new ATOM 0 HG13 ILE A 62 -2.509 -4.749 -2.305 1.00 54.32 H new ATOM 0 HG21 ILE A 62 -5.044 -6.411 -0.069 1.00 21.43 H new ATOM 0 HG22 ILE A 62 -5.544 -7.642 -1.253 1.00 21.43 H new ATOM 0 HG23 ILE A 62 -3.933 -7.731 -0.502 1.00 21.43 H new ATOM 0 HD11 ILE A 62 -2.519 -3.687 -0.093 1.00 2.23 H new ATOM 0 HD12 ILE A 62 -4.134 -3.590 -0.834 1.00 2.23 H new ATOM 0 HD13 ILE A 62 -3.813 -4.784 0.446 1.00 2.23 H new ATOM 960 N LEU A 63 -5.370 -7.384 -4.967 1.00 4.51 N ATOM 961 CA LEU A 63 -6.395 -8.116 -5.756 1.00 33.35 C ATOM 962 C LEU A 63 -5.814 -9.421 -6.358 1.00 53.02 C ATOM 963 O LEU A 63 -6.510 -10.430 -6.406 1.00 33.02 O ATOM 964 CB LEU A 63 -6.982 -7.217 -6.884 1.00 34.11 C ATOM 965 CG LEU A 63 -7.824 -5.982 -6.419 1.00 20.25 C ATOM 966 CD1 LEU A 63 -8.212 -5.077 -7.616 1.00 4.30 C ATOM 967 CD2 LEU A 63 -9.068 -6.430 -5.612 1.00 10.41 C ATOM 0 H LEU A 63 -5.142 -6.463 -5.342 1.00 4.51 H new ATOM 0 HA LEU A 63 -7.202 -8.383 -5.073 1.00 33.35 H new ATOM 0 HB2 LEU A 63 -6.157 -6.857 -7.499 1.00 34.11 H new ATOM 0 HB3 LEU A 63 -7.609 -7.837 -7.524 1.00 34.11 H new ATOM 0 HG LEU A 63 -7.200 -5.384 -5.755 1.00 20.25 H new ATOM 0 HD11 LEU A 63 -8.796 -4.229 -7.257 1.00 4.30 H new ATOM 0 HD12 LEU A 63 -7.308 -4.714 -8.106 1.00 4.30 H new ATOM 0 HD13 LEU A 63 -8.805 -5.650 -8.328 1.00 4.30 H new ATOM 0 HD21 LEU A 63 -9.635 -5.553 -5.301 1.00 10.41 H new ATOM 0 HD22 LEU A 63 -9.696 -7.066 -6.235 1.00 10.41 H new ATOM 0 HD23 LEU A 63 -8.749 -6.987 -4.731 1.00 10.41 H new ATOM 979 N ASP A 64 -4.534 -9.382 -6.800 1.00 51.21 N ATOM 980 CA ASP A 64 -3.804 -10.585 -7.278 1.00 13.31 C ATOM 981 C ASP A 64 -3.678 -11.662 -6.172 1.00 42.41 C ATOM 982 O ASP A 64 -3.779 -12.866 -6.439 1.00 3.41 O ATOM 983 CB ASP A 64 -2.386 -10.203 -7.785 1.00 12.03 C ATOM 984 CG ASP A 64 -2.393 -9.355 -9.061 1.00 12.20 C ATOM 985 OD1 ASP A 64 -2.538 -9.928 -10.158 1.00 53.51 O ATOM 986 OD2 ASP A 64 -2.254 -8.122 -8.983 1.00 70.30 O ATOM 0 H ASP A 64 -3.981 -8.525 -6.836 1.00 51.21 H new ATOM 0 HA ASP A 64 -4.386 -11.002 -8.100 1.00 13.31 H new ATOM 0 HB2 ASP A 64 -1.865 -9.656 -6.999 1.00 12.03 H new ATOM 0 HB3 ASP A 64 -1.818 -11.115 -7.969 1.00 12.03 H new ATOM 991 N LEU A 65 -3.434 -11.198 -4.938 1.00 74.35 N ATOM 992 CA LEU A 65 -3.267 -12.064 -3.745 1.00 22.00 C ATOM 993 C LEU A 65 -4.603 -12.725 -3.313 1.00 24.44 C ATOM 994 O LEU A 65 -4.658 -13.925 -3.016 1.00 62.52 O ATOM 995 CB LEU A 65 -2.715 -11.210 -2.573 1.00 41.12 C ATOM 996 CG LEU A 65 -1.402 -10.416 -2.858 1.00 41.21 C ATOM 997 CD1 LEU A 65 -1.052 -9.481 -1.680 1.00 2.33 C ATOM 998 CD2 LEU A 65 -0.229 -11.366 -3.200 1.00 61.41 C ATOM 0 H LEU A 65 -3.345 -10.203 -4.730 1.00 74.35 H new ATOM 0 HA LEU A 65 -2.571 -12.862 -4.004 1.00 22.00 H new ATOM 0 HB2 LEU A 65 -3.486 -10.500 -2.273 1.00 41.12 H new ATOM 0 HB3 LEU A 65 -2.539 -11.868 -1.722 1.00 41.12 H new ATOM 0 HG LEU A 65 -1.575 -9.791 -3.734 1.00 41.21 H new ATOM 0 HD11 LEU A 65 -0.133 -8.940 -1.905 1.00 2.33 H new ATOM 0 HD12 LEU A 65 -1.863 -8.770 -1.527 1.00 2.33 H new ATOM 0 HD13 LEU A 65 -0.912 -10.072 -0.775 1.00 2.33 H new ATOM 0 HD21 LEU A 65 0.670 -10.780 -3.393 1.00 61.41 H new ATOM 0 HD22 LEU A 65 -0.050 -12.040 -2.362 1.00 61.41 H new ATOM 0 HD23 LEU A 65 -0.479 -11.949 -4.087 1.00 61.41 H new ATOM 1010 N GLN A 66 -5.660 -11.906 -3.272 1.00 62.13 N ATOM 1011 CA GLN A 66 -7.003 -12.323 -2.814 1.00 10.24 C ATOM 1012 C GLN A 66 -7.687 -13.264 -3.834 1.00 64.15 C ATOM 1013 O GLN A 66 -8.043 -14.399 -3.505 1.00 11.33 O ATOM 1014 CB GLN A 66 -7.892 -11.077 -2.547 1.00 50.01 C ATOM 1015 CG GLN A 66 -7.366 -10.149 -1.432 1.00 61.32 C ATOM 1016 CD GLN A 66 -8.228 -8.898 -1.248 1.00 15.53 C ATOM 1017 OE1 GLN A 66 -9.166 -8.882 -0.459 1.00 72.31 O ATOM 1018 NE2 GLN A 66 -7.927 -7.848 -1.988 1.00 63.44 N ATOM 0 H GLN A 66 -5.614 -10.927 -3.556 1.00 62.13 H new ATOM 0 HA GLN A 66 -6.879 -12.878 -1.884 1.00 10.24 H new ATOM 0 HB2 GLN A 66 -7.980 -10.503 -3.470 1.00 50.01 H new ATOM 0 HB3 GLN A 66 -8.895 -11.411 -2.283 1.00 50.01 H new ATOM 0 HG2 GLN A 66 -7.329 -10.701 -0.493 1.00 61.32 H new ATOM 0 HG3 GLN A 66 -6.344 -9.850 -1.666 1.00 61.32 H new ATOM 0 HE21 GLN A 66 -7.141 -7.890 -2.636 1.00 63.44 H new ATOM 0 HE22 GLN A 66 -8.481 -6.995 -1.912 1.00 63.44 H new ATOM 1431 N ASP B 27 -12.353 12.609 -0.802 1.00 55.52 N ATOM 1432 CA ASP B 27 -10.968 12.456 -1.278 1.00 62.41 C ATOM 1433 C ASP B 27 -10.654 11.004 -1.711 1.00 15.35 C ATOM 1434 O ASP B 27 -10.705 10.067 -0.912 1.00 53.32 O ATOM 1435 CB ASP B 27 -9.960 13.017 -0.240 1.00 42.45 C ATOM 1436 CG ASP B 27 -10.207 14.520 0.021 1.00 61.35 C ATOM 1437 OD1 ASP B 27 -9.719 15.351 -0.782 1.00 11.22 O ATOM 1438 OD2 ASP B 27 -10.941 14.863 0.979 1.00 22.44 O ATOM 0 HA ASP B 27 -10.856 13.056 -2.181 1.00 62.41 H new ATOM 0 HB2 ASP B 27 -10.050 12.463 0.694 1.00 42.45 H new ATOM 0 HB3 ASP B 27 -8.942 12.870 -0.601 1.00 42.45 H new ATOM 1443 N ASP B 28 -10.333 10.846 -3.005 1.00 0.33 N ATOM 1444 CA ASP B 28 -10.019 9.543 -3.625 1.00 61.23 C ATOM 1445 C ASP B 28 -8.786 8.879 -2.954 1.00 0.43 C ATOM 1446 O ASP B 28 -8.714 7.655 -2.860 1.00 43.02 O ATOM 1447 CB ASP B 28 -9.814 9.740 -5.154 1.00 52.42 C ATOM 1448 CG ASP B 28 -9.707 8.429 -5.961 1.00 5.34 C ATOM 1449 OD1 ASP B 28 -10.440 7.462 -5.650 1.00 33.55 O ATOM 1450 OD2 ASP B 28 -8.913 8.369 -6.921 1.00 22.33 O ATOM 0 H ASP B 28 -10.283 11.626 -3.660 1.00 0.33 H new ATOM 0 HA ASP B 28 -10.855 8.861 -3.471 1.00 61.23 H new ATOM 0 HB2 ASP B 28 -10.645 10.326 -5.546 1.00 52.42 H new ATOM 0 HB3 ASP B 28 -8.908 10.325 -5.314 1.00 52.42 H new ATOM 1455 N MET B 29 -7.843 9.716 -2.451 1.00 32.41 N ATOM 1456 CA MET B 29 -6.692 9.241 -1.647 1.00 52.24 C ATOM 1457 C MET B 29 -7.167 8.579 -0.335 1.00 3.41 C ATOM 1458 O MET B 29 -6.701 7.504 0.024 1.00 2.03 O ATOM 1459 CB MET B 29 -5.718 10.401 -1.293 1.00 63.52 C ATOM 1460 CG MET B 29 -5.222 11.218 -2.491 1.00 0.14 C ATOM 1461 SD MET B 29 -3.625 12.014 -2.196 1.00 64.12 S ATOM 1462 CE MET B 29 -2.537 10.587 -2.076 1.00 63.23 C ATOM 0 H MET B 29 -7.859 10.726 -2.590 1.00 32.41 H new ATOM 0 HA MET B 29 -6.166 8.509 -2.261 1.00 52.24 H new ATOM 0 HB2 MET B 29 -6.216 11.074 -0.595 1.00 63.52 H new ATOM 0 HB3 MET B 29 -4.855 9.985 -0.774 1.00 63.52 H new ATOM 0 HG2 MET B 29 -5.140 10.565 -3.360 1.00 0.14 H new ATOM 0 HG3 MET B 29 -5.962 11.981 -2.734 1.00 0.14 H new ATOM 0 HE1 MET B 29 -1.500 10.922 -2.037 1.00 63.23 H new ATOM 0 HE2 MET B 29 -2.771 10.026 -1.171 1.00 63.23 H new ATOM 0 HE3 MET B 29 -2.679 9.947 -2.947 1.00 63.23 H new ATOM 1472 N ASN B 30 -8.111 9.254 0.352 1.00 23.52 N ATOM 1473 CA ASN B 30 -8.674 8.817 1.653 1.00 1.34 C ATOM 1474 C ASN B 30 -9.459 7.484 1.519 1.00 50.45 C ATOM 1475 O ASN B 30 -9.364 6.612 2.393 1.00 15.22 O ATOM 1476 CB ASN B 30 -9.582 9.951 2.213 1.00 41.41 C ATOM 1477 CG ASN B 30 -10.261 9.649 3.560 1.00 42.30 C ATOM 1478 OD1 ASN B 30 -9.738 8.922 4.403 1.00 64.45 O ATOM 1479 ND2 ASN B 30 -11.433 10.220 3.772 1.00 71.11 N ATOM 0 H ASN B 30 -8.511 10.130 0.017 1.00 23.52 H new ATOM 0 HA ASN B 30 -7.857 8.627 2.349 1.00 1.34 H new ATOM 0 HB2 ASN B 30 -8.981 10.854 2.323 1.00 41.41 H new ATOM 0 HB3 ASN B 30 -10.355 10.171 1.477 1.00 41.41 H new ATOM 0 HD21 ASN B 30 -11.926 10.062 4.651 1.00 71.11 H new ATOM 0 HD22 ASN B 30 -11.845 10.819 3.057 1.00 71.11 H new ATOM 1486 N HIS B 31 -10.218 7.341 0.413 1.00 52.41 N ATOM 1487 CA HIS B 31 -10.988 6.107 0.118 1.00 25.44 C ATOM 1488 C HIS B 31 -10.027 4.933 -0.228 1.00 31.52 C ATOM 1489 O HIS B 31 -10.266 3.782 0.164 1.00 73.23 O ATOM 1490 CB HIS B 31 -12.001 6.351 -1.040 1.00 70.24 C ATOM 1491 CG HIS B 31 -13.108 5.314 -1.107 1.00 61.12 C ATOM 1492 ND1 HIS B 31 -12.844 3.992 -1.395 1.00 72.12 N ATOM 1493 CD2 HIS B 31 -14.440 5.443 -0.861 1.00 31.14 C ATOM 1494 CE1 HIS B 31 -13.995 3.359 -1.307 1.00 23.54 C ATOM 1495 NE2 HIS B 31 -14.994 4.193 -0.991 1.00 32.45 N ATOM 0 H HIS B 31 -10.317 8.067 -0.296 1.00 52.41 H new ATOM 0 HA HIS B 31 -11.553 5.835 1.010 1.00 25.44 H new ATOM 0 HB2 HIS B 31 -12.446 7.339 -0.920 1.00 70.24 H new ATOM 0 HB3 HIS B 31 -11.462 6.357 -1.988 1.00 70.24 H new ATOM 0 HD2 HIS B 31 -14.962 6.355 -0.611 1.00 31.14 H new ATOM 0 HE1 HIS B 31 -14.118 2.298 -1.470 1.00 23.54 H new ATOM 0 HE2 HIS B 31 -15.977 3.947 -0.870 1.00 32.45 H new ATOM 1503 N CYS B 32 -8.938 5.246 -0.960 1.00 72.33 N ATOM 1504 CA CYS B 32 -7.863 4.272 -1.273 1.00 14.41 C ATOM 1505 C CYS B 32 -7.106 3.824 0.008 1.00 15.11 C ATOM 1506 O CYS B 32 -6.799 2.642 0.160 1.00 24.10 O ATOM 1507 CB CYS B 32 -6.884 4.856 -2.320 1.00 53.35 C ATOM 1508 SG CYS B 32 -7.635 5.133 -3.945 1.00 1.14 S ATOM 0 H CYS B 32 -8.776 6.174 -1.350 1.00 72.33 H new ATOM 0 HA CYS B 32 -8.333 3.386 -1.700 1.00 14.41 H new ATOM 0 HB2 CYS B 32 -6.488 5.801 -1.947 1.00 53.35 H new ATOM 0 HB3 CYS B 32 -6.038 4.178 -2.431 1.00 53.35 H new ATOM 0 HG CYS B 32 -8.254 6.276 -3.948 1.00 1.14 H new ATOM 1514 N TYR B 33 -6.854 4.782 0.928 1.00 52.12 N ATOM 1515 CA TYR B 33 -6.239 4.520 2.260 1.00 70.32 C ATOM 1516 C TYR B 33 -7.144 3.622 3.135 1.00 32.04 C ATOM 1517 O TYR B 33 -6.647 2.788 3.907 1.00 34.34 O ATOM 1518 CB TYR B 33 -5.935 5.857 3.012 1.00 3.34 C ATOM 1519 CG TYR B 33 -4.558 6.478 2.703 1.00 73.44 C ATOM 1520 CD1 TYR B 33 -3.391 5.778 3.007 1.00 64.25 C ATOM 1521 CD2 TYR B 33 -4.416 7.767 2.178 1.00 22.54 C ATOM 1522 CE1 TYR B 33 -2.146 6.321 2.790 1.00 21.02 C ATOM 1523 CE2 TYR B 33 -3.169 8.314 1.947 1.00 44.05 C ATOM 1524 CZ TYR B 33 -2.036 7.594 2.265 1.00 23.13 C ATOM 1525 OH TYR B 33 -0.792 8.153 2.064 1.00 74.34 O ATOM 0 H TYR B 33 -7.071 5.766 0.772 1.00 52.12 H new ATOM 0 HA TYR B 33 -5.301 3.995 2.081 1.00 70.32 H new ATOM 0 HB2 TYR B 33 -6.709 6.582 2.760 1.00 3.34 H new ATOM 0 HB3 TYR B 33 -6.003 5.677 4.085 1.00 3.34 H new ATOM 0 HD1 TYR B 33 -3.467 4.784 3.423 1.00 64.25 H new ATOM 0 HD2 TYR B 33 -5.299 8.346 1.949 1.00 22.54 H new ATOM 0 HE1 TYR B 33 -1.258 5.754 3.029 1.00 21.02 H new ATOM 0 HE2 TYR B 33 -3.081 9.302 1.519 1.00 44.05 H new ATOM 0 HH TYR B 33 -0.601 8.189 1.103 1.00 74.34 H new ATOM 1535 N SER B 34 -8.471 3.826 3.013 1.00 43.32 N ATOM 1536 CA SER B 34 -9.490 2.985 3.682 1.00 35.42 C ATOM 1537 C SER B 34 -9.373 1.519 3.208 1.00 30.41 C ATOM 1538 O SER B 34 -9.251 0.607 4.027 1.00 43.21 O ATOM 1539 CB SER B 34 -10.920 3.532 3.412 1.00 13.11 C ATOM 1540 OG SER B 34 -11.921 2.754 4.058 1.00 1.53 O ATOM 0 H SER B 34 -8.869 4.577 2.449 1.00 43.32 H new ATOM 0 HA SER B 34 -9.310 3.018 4.757 1.00 35.42 H new ATOM 0 HB2 SER B 34 -10.984 4.564 3.757 1.00 13.11 H new ATOM 0 HB3 SER B 34 -11.107 3.543 2.338 1.00 13.11 H new ATOM 0 HG SER B 34 -12.013 1.893 3.599 1.00 1.53 H new ATOM 1546 N ARG B 35 -9.359 1.330 1.870 1.00 15.34 N ATOM 1547 CA ARG B 35 -9.238 -0.007 1.235 1.00 71.52 C ATOM 1548 C ARG B 35 -7.880 -0.686 1.492 1.00 31.01 C ATOM 1549 O ARG B 35 -7.823 -1.906 1.506 1.00 63.32 O ATOM 1550 CB ARG B 35 -9.553 0.069 -0.289 1.00 42.23 C ATOM 1551 CG ARG B 35 -11.065 0.007 -0.603 1.00 70.33 C ATOM 1552 CD ARG B 35 -11.657 -1.397 -0.333 1.00 22.24 C ATOM 1553 NE ARG B 35 -13.116 -1.429 -0.511 1.00 62.44 N ATOM 1554 CZ ARG B 35 -13.883 -2.491 -0.396 1.00 41.12 C ATOM 1555 NH1 ARG B 35 -13.393 -3.672 -0.165 1.00 51.23 N ATOM 1556 NH2 ARG B 35 -15.160 -2.354 -0.517 1.00 52.51 N ATOM 0 H ARG B 35 -9.431 2.095 1.199 1.00 15.34 H new ATOM 0 HA ARG B 35 -9.984 -0.641 1.714 1.00 71.52 H new ATOM 0 HB2 ARG B 35 -9.143 0.995 -0.692 1.00 42.23 H new ATOM 0 HB3 ARG B 35 -9.049 -0.752 -0.799 1.00 42.23 H new ATOM 0 HG2 ARG B 35 -11.591 0.745 0.003 1.00 70.33 H new ATOM 0 HG3 ARG B 35 -11.230 0.275 -1.647 1.00 70.33 H new ATOM 0 HD2 ARG B 35 -11.195 -2.120 -1.006 1.00 22.24 H new ATOM 0 HD3 ARG B 35 -11.410 -1.704 0.683 1.00 22.24 H new ATOM 0 HE ARG B 35 -13.575 -0.548 -0.745 1.00 62.44 H new ATOM 0 HH11 ARG B 35 -12.385 -3.796 -0.067 1.00 51.23 H new ATOM 0 HH12 ARG B 35 -14.016 -4.475 -0.081 1.00 51.23 H new ATOM 0 HH21 ARG B 35 -15.559 -1.433 -0.699 1.00 52.51 H new ATOM 0 HH22 ARG B 35 -15.771 -3.167 -0.431 1.00 52.51 H new ATOM 1570 N LEU B 36 -6.802 0.091 1.702 1.00 43.34 N ATOM 1571 CA LEU B 36 -5.523 -0.478 2.188 1.00 43.32 C ATOM 1572 C LEU B 36 -5.756 -1.143 3.567 1.00 13.34 C ATOM 1573 O LEU B 36 -5.540 -2.333 3.730 1.00 3.43 O ATOM 1574 CB LEU B 36 -4.407 0.600 2.276 1.00 60.11 C ATOM 1575 CG LEU B 36 -3.990 1.273 0.927 1.00 24.32 C ATOM 1576 CD1 LEU B 36 -2.847 2.293 1.134 1.00 40.44 C ATOM 1577 CD2 LEU B 36 -3.616 0.225 -0.152 1.00 44.12 C ATOM 0 H LEU B 36 -6.785 1.099 1.547 1.00 43.34 H new ATOM 0 HA LEU B 36 -5.182 -1.227 1.473 1.00 43.32 H new ATOM 0 HB2 LEU B 36 -4.738 1.381 2.961 1.00 60.11 H new ATOM 0 HB3 LEU B 36 -3.522 0.142 2.718 1.00 60.11 H new ATOM 0 HG LEU B 36 -4.861 1.817 0.561 1.00 24.32 H new ATOM 0 HD11 LEU B 36 -2.582 2.742 0.177 1.00 40.44 H new ATOM 0 HD12 LEU B 36 -3.175 3.072 1.822 1.00 40.44 H new ATOM 0 HD13 LEU B 36 -1.977 1.785 1.550 1.00 40.44 H new ATOM 0 HD21 LEU B 36 -3.333 0.736 -1.072 1.00 44.12 H new ATOM 0 HD22 LEU B 36 -2.779 -0.378 0.201 1.00 44.12 H new ATOM 0 HD23 LEU B 36 -4.473 -0.421 -0.344 1.00 44.12 H new ATOM 1589 N ARG B 37 -6.313 -0.365 4.510 1.00 3.23 N ATOM 1590 CA ARG B 37 -6.631 -0.840 5.882 1.00 75.15 C ATOM 1591 C ARG B 37 -7.694 -1.979 5.918 1.00 44.24 C ATOM 1592 O ARG B 37 -7.774 -2.713 6.912 1.00 13.12 O ATOM 1593 CB ARG B 37 -7.090 0.352 6.745 1.00 64.35 C ATOM 1594 CG ARG B 37 -5.965 1.371 7.020 1.00 4.21 C ATOM 1595 CD ARG B 37 -6.456 2.586 7.804 1.00 54.05 C ATOM 1596 NE ARG B 37 -7.020 2.234 9.122 1.00 43.13 N ATOM 1597 CZ ARG B 37 -7.954 2.911 9.757 1.00 73.24 C ATOM 1598 NH1 ARG B 37 -8.482 3.977 9.257 1.00 4.51 N ATOM 1599 NH2 ARG B 37 -8.350 2.516 10.915 1.00 61.02 N ATOM 0 H ARG B 37 -6.558 0.612 4.350 1.00 3.23 H new ATOM 0 HA ARG B 37 -5.716 -1.272 6.288 1.00 75.15 H new ATOM 0 HB2 ARG B 37 -7.916 0.858 6.245 1.00 64.35 H new ATOM 0 HB3 ARG B 37 -7.473 -0.021 7.695 1.00 64.35 H new ATOM 0 HG2 ARG B 37 -5.165 0.883 7.576 1.00 4.21 H new ATOM 0 HG3 ARG B 37 -5.539 1.702 6.073 1.00 4.21 H new ATOM 0 HD2 ARG B 37 -5.627 3.280 7.943 1.00 54.05 H new ATOM 0 HD3 ARG B 37 -7.213 3.107 7.219 1.00 54.05 H new ATOM 0 HE ARG B 37 -6.656 1.397 9.578 1.00 43.13 H new ATOM 0 HH11 ARG B 37 -8.178 4.317 8.345 1.00 4.51 H new ATOM 0 HH12 ARG B 37 -9.204 4.479 9.774 1.00 4.51 H new ATOM 0 HH21 ARG B 37 -7.941 1.682 11.337 1.00 61.02 H new ATOM 0 HH22 ARG B 37 -9.073 3.036 11.412 1.00 61.02 H new ATOM 1613 N GLU B 38 -8.509 -2.114 4.841 1.00 71.43 N ATOM 1614 CA GLU B 38 -9.559 -3.164 4.760 1.00 45.25 C ATOM 1615 C GLU B 38 -8.972 -4.498 4.233 1.00 62.03 C ATOM 1616 O GLU B 38 -9.351 -5.580 4.696 1.00 43.51 O ATOM 1617 CB GLU B 38 -10.739 -2.698 3.855 1.00 33.21 C ATOM 1618 CG GLU B 38 -11.572 -1.526 4.434 1.00 43.01 C ATOM 1619 CD GLU B 38 -12.664 -1.009 3.476 1.00 21.25 C ATOM 1620 OE1 GLU B 38 -13.762 -1.602 3.435 1.00 71.03 O ATOM 1621 OE2 GLU B 38 -12.431 -0.009 2.762 1.00 14.02 O ATOM 0 H GLU B 38 -8.460 -1.512 4.019 1.00 71.43 H new ATOM 0 HA GLU B 38 -9.940 -3.332 5.767 1.00 45.25 H new ATOM 0 HB2 GLU B 38 -10.340 -2.399 2.886 1.00 33.21 H new ATOM 0 HB3 GLU B 38 -11.402 -3.545 3.679 1.00 33.21 H new ATOM 0 HG2 GLU B 38 -12.040 -1.849 5.364 1.00 43.01 H new ATOM 0 HG3 GLU B 38 -10.901 -0.704 4.684 1.00 43.01 H new ATOM 1628 N LEU B 39 -8.037 -4.401 3.269 1.00 14.43 N ATOM 1629 CA LEU B 39 -7.449 -5.577 2.581 1.00 64.45 C ATOM 1630 C LEU B 39 -6.163 -6.095 3.280 1.00 10.34 C ATOM 1631 O LEU B 39 -5.660 -7.175 2.935 1.00 63.31 O ATOM 1632 CB LEU B 39 -7.148 -5.227 1.099 1.00 10.34 C ATOM 1633 CG LEU B 39 -8.349 -4.684 0.249 1.00 65.10 C ATOM 1634 CD1 LEU B 39 -7.912 -4.366 -1.207 1.00 3.23 C ATOM 1635 CD2 LEU B 39 -9.565 -5.644 0.285 1.00 54.11 C ATOM 0 H LEU B 39 -7.665 -3.509 2.942 1.00 14.43 H new ATOM 0 HA LEU B 39 -8.184 -6.381 2.629 1.00 64.45 H new ATOM 0 HB2 LEU B 39 -6.352 -4.482 1.079 1.00 10.34 H new ATOM 0 HB3 LEU B 39 -6.760 -6.121 0.610 1.00 10.34 H new ATOM 0 HG LEU B 39 -8.672 -3.749 0.707 1.00 65.10 H new ATOM 0 HD11 LEU B 39 -8.767 -3.992 -1.770 1.00 3.23 H new ATOM 0 HD12 LEU B 39 -7.127 -3.610 -1.194 1.00 3.23 H new ATOM 0 HD13 LEU B 39 -7.535 -5.273 -1.680 1.00 3.23 H new ATOM 0 HD21 LEU B 39 -10.374 -5.229 -0.317 1.00 54.11 H new ATOM 0 HD22 LEU B 39 -9.274 -6.614 -0.117 1.00 54.11 H new ATOM 0 HD23 LEU B 39 -9.903 -5.764 1.314 1.00 54.11 H new ATOM 1647 N VAL B 40 -5.623 -5.313 4.237 1.00 2.12 N ATOM 1648 CA VAL B 40 -4.448 -5.718 5.059 1.00 63.35 C ATOM 1649 C VAL B 40 -4.904 -6.231 6.458 1.00 33.21 C ATOM 1650 O VAL B 40 -5.302 -5.427 7.311 1.00 32.41 O ATOM 1651 CB VAL B 40 -3.418 -4.526 5.236 1.00 35.51 C ATOM 1652 CG1 VAL B 40 -2.179 -4.942 6.078 1.00 54.30 C ATOM 1653 CG2 VAL B 40 -2.990 -3.955 3.862 1.00 32.42 C ATOM 0 H VAL B 40 -5.982 -4.386 4.466 1.00 2.12 H new ATOM 0 HA VAL B 40 -3.946 -6.526 4.527 1.00 63.35 H new ATOM 0 HB VAL B 40 -3.930 -3.739 5.789 1.00 35.51 H new ATOM 0 HG11 VAL B 40 -1.502 -4.093 6.172 1.00 54.30 H new ATOM 0 HG12 VAL B 40 -2.503 -5.260 7.069 1.00 54.30 H new ATOM 0 HG13 VAL B 40 -1.663 -5.765 5.584 1.00 54.30 H new ATOM 0 HG21 VAL B 40 -2.283 -3.139 4.011 1.00 32.42 H new ATOM 0 HG22 VAL B 40 -2.517 -4.741 3.273 1.00 32.42 H new ATOM 0 HG23 VAL B 40 -3.868 -3.583 3.333 1.00 32.42 H new ATOM 1663 N PRO B 41 -4.866 -7.586 6.721 1.00 24.22 N ATOM 1664 CA PRO B 41 -5.156 -8.148 8.070 1.00 42.00 C ATOM 1665 C PRO B 41 -3.952 -8.035 9.053 1.00 31.33 C ATOM 1666 O PRO B 41 -4.064 -8.424 10.222 1.00 21.41 O ATOM 1667 CB PRO B 41 -5.509 -9.622 7.753 1.00 54.54 C ATOM 1668 CG PRO B 41 -4.686 -9.953 6.541 1.00 53.22 C ATOM 1669 CD PRO B 41 -4.577 -8.668 5.734 1.00 25.52 C ATOM 0 HA PRO B 41 -5.951 -7.608 8.585 1.00 42.00 H new ATOM 0 HB2 PRO B 41 -5.265 -10.277 8.589 1.00 54.54 H new ATOM 0 HB3 PRO B 41 -6.574 -9.741 7.554 1.00 54.54 H new ATOM 0 HG2 PRO B 41 -3.699 -10.316 6.829 1.00 53.22 H new ATOM 0 HG3 PRO B 41 -5.158 -10.742 5.954 1.00 53.22 H new ATOM 0 HD2 PRO B 41 -3.584 -8.555 5.299 1.00 25.52 H new ATOM 0 HD3 PRO B 41 -5.290 -8.655 4.909 1.00 25.52 H new ATOM 1677 N GLY B 42 -2.810 -7.505 8.557 1.00 62.42 N ATOM 1678 CA GLY B 42 -1.623 -7.233 9.392 1.00 75.41 C ATOM 1679 C GLY B 42 -1.774 -6.019 10.317 1.00 12.22 C ATOM 1680 O GLY B 42 -0.947 -5.822 11.215 1.00 62.52 O ATOM 0 H GLY B 42 -2.688 -7.257 7.575 1.00 62.42 H new ATOM 0 HA2 GLY B 42 -1.408 -8.113 9.998 1.00 75.41 H new ATOM 0 HA3 GLY B 42 -0.763 -7.076 8.742 1.00 75.41 H new ATOM 1684 N VAL B 43 -2.826 -5.203 10.081 1.00 3.33 N ATOM 1685 CA VAL B 43 -3.177 -4.047 10.943 1.00 25.12 C ATOM 1686 C VAL B 43 -3.535 -4.512 12.396 1.00 73.33 C ATOM 1687 O VAL B 43 -4.481 -5.291 12.569 1.00 63.25 O ATOM 1688 CB VAL B 43 -4.381 -3.228 10.316 1.00 64.42 C ATOM 1689 CG1 VAL B 43 -4.860 -2.078 11.244 1.00 61.34 C ATOM 1690 CG2 VAL B 43 -4.011 -2.688 8.906 1.00 3.33 C ATOM 0 H VAL B 43 -3.456 -5.326 9.289 1.00 3.33 H new ATOM 0 HA VAL B 43 -2.304 -3.397 11.000 1.00 25.12 H new ATOM 0 HB VAL B 43 -5.216 -3.920 10.212 1.00 64.42 H new ATOM 0 HG11 VAL B 43 -5.686 -1.548 10.770 1.00 61.34 H new ATOM 0 HG12 VAL B 43 -5.194 -2.493 12.195 1.00 61.34 H new ATOM 0 HG13 VAL B 43 -4.037 -1.385 11.420 1.00 61.34 H new ATOM 0 HG21 VAL B 43 -4.853 -2.130 8.498 1.00 3.33 H new ATOM 0 HG22 VAL B 43 -3.144 -2.032 8.984 1.00 3.33 H new ATOM 0 HG23 VAL B 43 -3.775 -3.523 8.247 1.00 3.33 H new ATOM 1700 N PRO B 44 -2.781 -4.052 13.460 1.00 32.12 N ATOM 1701 CA PRO B 44 -3.057 -4.438 14.871 1.00 31.20 C ATOM 1702 C PRO B 44 -4.389 -3.839 15.400 1.00 52.35 C ATOM 1703 O PRO B 44 -4.731 -2.686 15.085 1.00 24.01 O ATOM 1704 CB PRO B 44 -1.834 -3.885 15.663 1.00 11.44 C ATOM 1705 CG PRO B 44 -0.815 -3.542 14.616 1.00 51.11 C ATOM 1706 CD PRO B 44 -1.604 -3.149 13.385 1.00 71.13 C ATOM 0 HA PRO B 44 -3.178 -5.516 14.978 1.00 31.20 H new ATOM 0 HB2 PRO B 44 -2.108 -3.008 16.249 1.00 11.44 H new ATOM 0 HB3 PRO B 44 -1.448 -4.628 16.361 1.00 11.44 H new ATOM 0 HG2 PRO B 44 -0.174 -2.725 14.947 1.00 51.11 H new ATOM 0 HG3 PRO B 44 -0.166 -4.393 14.409 1.00 51.11 H new ATOM 0 HD2 PRO B 44 -1.895 -2.099 13.407 1.00 71.13 H new ATOM 0 HD3 PRO B 44 -1.032 -3.302 12.470 1.00 71.13 H new ATOM 1714 N ARG B 45 -5.109 -4.621 16.224 1.00 54.31 N ATOM 1715 CA ARG B 45 -6.438 -4.247 16.757 1.00 54.24 C ATOM 1716 C ARG B 45 -6.295 -3.202 17.885 1.00 12.12 C ATOM 1717 O ARG B 45 -5.453 -3.358 18.773 1.00 72.22 O ATOM 1718 CB ARG B 45 -7.211 -5.500 17.282 1.00 31.43 C ATOM 1719 CG ARG B 45 -7.510 -6.595 16.216 1.00 62.12 C ATOM 1720 CD ARG B 45 -6.290 -7.476 15.876 1.00 11.43 C ATOM 1721 NE ARG B 45 -6.583 -8.436 14.802 1.00 52.11 N ATOM 1722 CZ ARG B 45 -6.291 -9.718 14.809 1.00 62.24 C ATOM 1723 NH1 ARG B 45 -5.736 -10.283 15.836 1.00 65.43 N ATOM 1724 NH2 ARG B 45 -6.562 -10.431 13.771 1.00 54.20 N ATOM 0 H ARG B 45 -4.787 -5.535 16.542 1.00 54.31 H new ATOM 0 HA ARG B 45 -7.012 -3.810 15.940 1.00 54.24 H new ATOM 0 HB2 ARG B 45 -6.633 -5.951 18.089 1.00 31.43 H new ATOM 0 HB3 ARG B 45 -8.156 -5.169 17.713 1.00 31.43 H new ATOM 0 HG2 ARG B 45 -8.318 -7.231 16.578 1.00 62.12 H new ATOM 0 HG3 ARG B 45 -7.866 -6.115 15.305 1.00 62.12 H new ATOM 0 HD2 ARG B 45 -5.457 -6.840 15.576 1.00 11.43 H new ATOM 0 HD3 ARG B 45 -5.974 -8.016 16.768 1.00 11.43 H new ATOM 0 HE ARG B 45 -7.057 -8.074 13.974 1.00 52.11 H new ATOM 0 HH11 ARG B 45 -5.516 -9.731 16.665 1.00 65.43 H new ATOM 0 HH12 ARG B 45 -5.520 -11.280 15.815 1.00 65.43 H new ATOM 0 HH21 ARG B 45 -6.998 -10.000 12.956 1.00 54.20 H new ATOM 0 HH22 ARG B 45 -6.340 -11.427 13.764 1.00 54.20 H new ATOM 1738 N GLY B 46 -7.102 -2.128 17.815 1.00 41.41 N ATOM 1739 CA GLY B 46 -7.053 -1.027 18.793 1.00 73.33 C ATOM 1740 C GLY B 46 -5.963 0.022 18.509 1.00 2.32 C ATOM 1741 O GLY B 46 -5.989 1.105 19.095 1.00 34.14 O ATOM 0 H GLY B 46 -7.802 -1.999 17.084 1.00 41.41 H new ATOM 0 HA2 GLY B 46 -8.023 -0.530 18.813 1.00 73.33 H new ATOM 0 HA3 GLY B 46 -6.889 -1.445 19.786 1.00 73.33 H new ATOM 1745 N THR B 47 -5.004 -0.299 17.612 1.00 31.13 N ATOM 1746 CA THR B 47 -3.895 0.615 17.258 1.00 64.13 C ATOM 1747 C THR B 47 -4.336 1.627 16.175 1.00 63.23 C ATOM 1748 O THR B 47 -4.653 1.235 15.041 1.00 15.31 O ATOM 1749 CB THR B 47 -2.647 -0.184 16.744 1.00 15.24 C ATOM 1750 OG1 THR B 47 -2.241 -1.161 17.723 1.00 73.04 O ATOM 1751 CG2 THR B 47 -1.443 0.731 16.430 1.00 21.51 C ATOM 0 H THR B 47 -4.976 -1.190 17.117 1.00 31.13 H new ATOM 0 HA THR B 47 -3.621 1.157 18.163 1.00 64.13 H new ATOM 0 HB THR B 47 -2.953 -0.672 15.819 1.00 15.24 H new ATOM 0 HG1 THR B 47 -1.312 -1.425 17.556 1.00 73.04 H new ATOM 0 HG21 THR B 47 -0.608 0.125 16.078 1.00 21.51 H new ATOM 0 HG22 THR B 47 -1.722 1.448 15.658 1.00 21.51 H new ATOM 0 HG23 THR B 47 -1.148 1.267 17.332 1.00 21.51 H new ATOM 1759 N GLN B 48 -4.371 2.923 16.543 1.00 31.30 N ATOM 1760 CA GLN B 48 -4.674 4.019 15.601 1.00 64.11 C ATOM 1761 C GLN B 48 -3.448 4.309 14.702 1.00 44.42 C ATOM 1762 O GLN B 48 -2.362 4.630 15.196 1.00 43.23 O ATOM 1763 CB GLN B 48 -5.094 5.299 16.369 1.00 42.00 C ATOM 1764 CG GLN B 48 -5.495 6.497 15.471 1.00 64.53 C ATOM 1765 CD GLN B 48 -5.879 7.752 16.264 1.00 23.40 C ATOM 1766 OE1 GLN B 48 -5.043 8.596 16.565 1.00 2.33 O ATOM 1767 NE2 GLN B 48 -7.143 7.871 16.622 1.00 14.23 N ATOM 0 H GLN B 48 -4.191 3.239 17.496 1.00 31.30 H new ATOM 0 HA GLN B 48 -5.506 3.709 14.969 1.00 64.11 H new ATOM 0 HB2 GLN B 48 -5.933 5.055 17.021 1.00 42.00 H new ATOM 0 HB3 GLN B 48 -4.270 5.606 17.012 1.00 42.00 H new ATOM 0 HG2 GLN B 48 -4.665 6.736 14.806 1.00 64.53 H new ATOM 0 HG3 GLN B 48 -6.334 6.204 14.841 1.00 64.53 H new ATOM 0 HE21 GLN B 48 -7.818 7.153 16.358 1.00 14.23 H new ATOM 0 HE22 GLN B 48 -7.446 8.681 17.163 1.00 14.23 H new ATOM 1776 N LEU B 49 -3.638 4.175 13.387 1.00 3.10 N ATOM 1777 CA LEU B 49 -2.575 4.402 12.381 1.00 31.12 C ATOM 1778 C LEU B 49 -2.783 5.730 11.628 1.00 44.41 C ATOM 1779 O LEU B 49 -3.887 6.012 11.142 1.00 11.51 O ATOM 1780 CB LEU B 49 -2.548 3.227 11.370 1.00 24.42 C ATOM 1781 CG LEU B 49 -2.305 1.813 11.987 1.00 60.41 C ATOM 1782 CD1 LEU B 49 -2.354 0.715 10.903 1.00 44.54 C ATOM 1783 CD2 LEU B 49 -0.978 1.766 12.790 1.00 33.52 C ATOM 0 H LEU B 49 -4.533 3.905 12.980 1.00 3.10 H new ATOM 0 HA LEU B 49 -1.622 4.458 12.908 1.00 31.12 H new ATOM 0 HB2 LEU B 49 -3.496 3.211 10.833 1.00 24.42 H new ATOM 0 HB3 LEU B 49 -1.768 3.422 10.634 1.00 24.42 H new ATOM 0 HG LEU B 49 -3.114 1.614 12.690 1.00 60.41 H new ATOM 0 HD11 LEU B 49 -2.181 -0.258 11.363 1.00 44.54 H new ATOM 0 HD12 LEU B 49 -3.333 0.721 10.423 1.00 44.54 H new ATOM 0 HD13 LEU B 49 -1.583 0.906 10.157 1.00 44.54 H new ATOM 0 HD21 LEU B 49 -0.840 0.768 13.206 1.00 33.52 H new ATOM 0 HD22 LEU B 49 -0.144 2.003 12.129 1.00 33.52 H new ATOM 0 HD23 LEU B 49 -1.017 2.494 13.600 1.00 33.52 H new ATOM 1795 N SER B 50 -1.714 6.536 11.545 1.00 14.31 N ATOM 1796 CA SER B 50 -1.676 7.749 10.684 1.00 60.35 C ATOM 1797 C SER B 50 -1.405 7.371 9.205 1.00 41.24 C ATOM 1798 O SER B 50 -1.096 6.214 8.909 1.00 74.11 O ATOM 1799 CB SER B 50 -0.592 8.734 11.198 1.00 74.33 C ATOM 1800 OG SER B 50 -0.555 9.935 10.433 1.00 12.51 O ATOM 0 H SER B 50 -0.852 6.375 12.066 1.00 14.31 H new ATOM 0 HA SER B 50 -2.650 8.237 10.735 1.00 60.35 H new ATOM 0 HB2 SER B 50 -0.788 8.976 12.243 1.00 74.33 H new ATOM 0 HB3 SER B 50 0.384 8.250 11.161 1.00 74.33 H new ATOM 0 HG SER B 50 0.139 10.529 10.789 1.00 12.51 H new ATOM 1806 N GLN B 51 -1.499 8.371 8.299 1.00 3.32 N ATOM 1807 CA GLN B 51 -1.288 8.206 6.830 1.00 61.31 C ATOM 1808 C GLN B 51 -0.011 7.396 6.476 1.00 50.13 C ATOM 1809 O GLN B 51 -0.038 6.464 5.662 1.00 44.44 O ATOM 1810 CB GLN B 51 -1.176 9.612 6.178 1.00 12.24 C ATOM 1811 CG GLN B 51 -2.425 10.513 6.261 1.00 34.24 C ATOM 1812 CD GLN B 51 -3.600 10.040 5.392 1.00 61.13 C ATOM 1813 OE1 GLN B 51 -3.847 8.848 5.215 1.00 51.15 O ATOM 1814 NE2 GLN B 51 -4.306 10.970 4.796 1.00 45.40 N ATOM 0 H GLN B 51 -1.726 9.329 8.564 1.00 3.32 H new ATOM 0 HA GLN B 51 -2.142 7.646 6.449 1.00 61.31 H new ATOM 0 HB2 GLN B 51 -0.344 10.139 6.645 1.00 12.24 H new ATOM 0 HB3 GLN B 51 -0.920 9.481 5.127 1.00 12.24 H new ATOM 0 HG2 GLN B 51 -2.753 10.566 7.299 1.00 34.24 H new ATOM 0 HG3 GLN B 51 -2.150 11.525 5.962 1.00 34.24 H new ATOM 0 HE21 GLN B 51 -4.089 11.954 4.953 1.00 45.40 H new ATOM 0 HE22 GLN B 51 -5.072 10.709 4.175 1.00 45.40 H new ATOM 1823 N VAL B 52 1.100 7.784 7.116 1.00 51.10 N ATOM 1824 CA VAL B 52 2.427 7.186 6.874 1.00 71.00 C ATOM 1825 C VAL B 52 2.517 5.761 7.473 1.00 70.34 C ATOM 1826 O VAL B 52 3.067 4.856 6.844 1.00 14.23 O ATOM 1827 CB VAL B 52 3.568 8.093 7.463 1.00 2.22 C ATOM 1828 CG1 VAL B 52 4.954 7.635 6.968 1.00 71.10 C ATOM 1829 CG2 VAL B 52 3.322 9.580 7.122 1.00 4.24 C ATOM 0 H VAL B 52 1.108 8.523 7.819 1.00 51.10 H new ATOM 0 HA VAL B 52 2.562 7.114 5.795 1.00 71.00 H new ATOM 0 HB VAL B 52 3.551 7.989 8.548 1.00 2.22 H new ATOM 0 HG11 VAL B 52 5.723 8.281 7.392 1.00 71.10 H new ATOM 0 HG12 VAL B 52 5.131 6.606 7.282 1.00 71.10 H new ATOM 0 HG13 VAL B 52 4.990 7.694 5.880 1.00 71.10 H new ATOM 0 HG21 VAL B 52 4.125 10.187 7.540 1.00 4.24 H new ATOM 0 HG22 VAL B 52 3.298 9.706 6.040 1.00 4.24 H new ATOM 0 HG23 VAL B 52 2.369 9.897 7.545 1.00 4.24 H new ATOM 1839 N GLU B 53 1.938 5.589 8.682 1.00 51.33 N ATOM 1840 CA GLU B 53 1.894 4.288 9.412 1.00 54.43 C ATOM 1841 C GLU B 53 1.171 3.192 8.595 1.00 14.42 C ATOM 1842 O GLU B 53 1.518 2.010 8.678 1.00 33.52 O ATOM 1843 CB GLU B 53 1.192 4.471 10.784 1.00 71.40 C ATOM 1844 CG GLU B 53 1.832 5.525 11.710 1.00 5.25 C ATOM 1845 CD GLU B 53 3.264 5.171 12.145 1.00 52.15 C ATOM 1846 OE1 GLU B 53 3.429 4.240 12.956 1.00 40.51 O ATOM 1847 OE2 GLU B 53 4.227 5.825 11.688 1.00 10.32 O ATOM 0 H GLU B 53 1.483 6.349 9.188 1.00 51.33 H new ATOM 0 HA GLU B 53 2.923 3.963 9.566 1.00 54.43 H new ATOM 0 HB2 GLU B 53 0.152 4.747 10.609 1.00 71.40 H new ATOM 0 HB3 GLU B 53 1.184 3.512 11.302 1.00 71.40 H new ATOM 0 HG2 GLU B 53 1.844 6.487 11.198 1.00 5.25 H new ATOM 0 HG3 GLU B 53 1.210 5.643 12.597 1.00 5.25 H new ATOM 1854 N ILE B 54 0.151 3.614 7.818 1.00 22.24 N ATOM 1855 CA ILE B 54 -0.541 2.751 6.836 1.00 43.40 C ATOM 1856 C ILE B 54 0.464 2.206 5.791 1.00 4.42 C ATOM 1857 O ILE B 54 0.625 0.996 5.662 1.00 34.04 O ATOM 1858 CB ILE B 54 -1.695 3.547 6.103 1.00 43.45 C ATOM 1859 CG1 ILE B 54 -2.772 4.044 7.128 1.00 5.54 C ATOM 1860 CG2 ILE B 54 -2.349 2.709 4.965 1.00 31.23 C ATOM 1861 CD1 ILE B 54 -3.837 4.962 6.539 1.00 71.50 C ATOM 0 H ILE B 54 -0.217 4.565 7.854 1.00 22.24 H new ATOM 0 HA ILE B 54 -0.982 1.914 7.376 1.00 43.40 H new ATOM 0 HB ILE B 54 -1.240 4.421 5.637 1.00 43.45 H new ATOM 0 HG12 ILE B 54 -3.263 3.176 7.568 1.00 5.54 H new ATOM 0 HG13 ILE B 54 -2.267 4.569 7.939 1.00 5.54 H new ATOM 0 HG21 ILE B 54 -3.136 3.294 4.489 1.00 31.23 H new ATOM 0 HG22 ILE B 54 -1.593 2.448 4.225 1.00 31.23 H new ATOM 0 HG23 ILE B 54 -2.777 1.798 5.384 1.00 31.23 H new ATOM 0 HD11 ILE B 54 -4.538 5.255 7.321 1.00 71.50 H new ATOM 0 HD12 ILE B 54 -3.362 5.852 6.125 1.00 71.50 H new ATOM 0 HD13 ILE B 54 -4.374 4.437 5.749 1.00 71.50 H new ATOM 1873 N LEU B 55 1.172 3.132 5.115 1.00 65.45 N ATOM 1874 CA LEU B 55 2.136 2.808 4.030 1.00 43.04 C ATOM 1875 C LEU B 55 3.294 1.910 4.514 1.00 2.10 C ATOM 1876 O LEU B 55 3.731 1.014 3.788 1.00 4.05 O ATOM 1877 CB LEU B 55 2.691 4.117 3.423 1.00 22.22 C ATOM 1878 CG LEU B 55 1.626 5.088 2.825 1.00 71.14 C ATOM 1879 CD1 LEU B 55 2.283 6.383 2.304 1.00 43.24 C ATOM 1880 CD2 LEU B 55 0.787 4.391 1.722 1.00 4.04 C ATOM 0 H LEU B 55 1.095 4.132 5.302 1.00 65.45 H new ATOM 0 HA LEU B 55 1.597 2.244 3.269 1.00 43.04 H new ATOM 0 HB2 LEU B 55 3.247 4.648 4.196 1.00 22.22 H new ATOM 0 HB3 LEU B 55 3.403 3.859 2.639 1.00 22.22 H new ATOM 0 HG LEU B 55 0.942 5.368 3.627 1.00 71.14 H new ATOM 0 HD11 LEU B 55 1.516 7.040 1.893 1.00 43.24 H new ATOM 0 HD12 LEU B 55 2.792 6.888 3.125 1.00 43.24 H new ATOM 0 HD13 LEU B 55 3.005 6.137 1.525 1.00 43.24 H new ATOM 0 HD21 LEU B 55 0.054 5.093 1.325 1.00 4.04 H new ATOM 0 HD22 LEU B 55 1.445 4.060 0.919 1.00 4.04 H new ATOM 0 HD23 LEU B 55 0.272 3.529 2.147 1.00 4.04 H new ATOM 1892 N GLN B 56 3.766 2.169 5.745 1.00 72.25 N ATOM 1893 CA GLN B 56 4.791 1.347 6.428 1.00 60.03 C ATOM 1894 C GLN B 56 4.342 -0.127 6.556 1.00 72.05 C ATOM 1895 O GLN B 56 5.069 -1.040 6.175 1.00 32.53 O ATOM 1896 CB GLN B 56 5.079 1.925 7.842 1.00 73.12 C ATOM 1897 CG GLN B 56 5.767 3.312 7.861 1.00 22.11 C ATOM 1898 CD GLN B 56 5.788 3.964 9.249 1.00 4.15 C ATOM 1899 OE1 GLN B 56 5.757 3.291 10.275 1.00 33.13 O ATOM 1900 NE2 GLN B 56 5.889 5.275 9.293 1.00 34.25 N ATOM 0 H GLN B 56 3.447 2.961 6.303 1.00 72.25 H new ATOM 0 HA GLN B 56 5.698 1.377 5.824 1.00 60.03 H new ATOM 0 HB2 GLN B 56 4.137 1.997 8.386 1.00 73.12 H new ATOM 0 HB3 GLN B 56 5.707 1.218 8.385 1.00 73.12 H new ATOM 0 HG2 GLN B 56 6.791 3.206 7.502 1.00 22.11 H new ATOM 0 HG3 GLN B 56 5.252 3.974 7.165 1.00 22.11 H new ATOM 0 HE21 GLN B 56 5.913 5.814 8.427 1.00 34.25 H new ATOM 0 HE22 GLN B 56 5.943 5.752 10.193 1.00 34.25 H new ATOM 1909 N ARG B 57 3.123 -0.329 7.090 1.00 22.30 N ATOM 1910 CA ARG B 57 2.558 -1.678 7.335 1.00 3.22 C ATOM 1911 C ARG B 57 2.077 -2.365 6.046 1.00 63.42 C ATOM 1912 O ARG B 57 1.887 -3.583 6.035 1.00 51.55 O ATOM 1913 CB ARG B 57 1.435 -1.598 8.389 1.00 1.43 C ATOM 1914 CG ARG B 57 1.927 -1.056 9.744 1.00 31.34 C ATOM 1915 CD ARG B 57 0.850 -1.087 10.829 1.00 43.33 C ATOM 1916 NE ARG B 57 1.351 -0.526 12.094 1.00 61.04 N ATOM 1917 CZ ARG B 57 1.798 -1.221 13.115 1.00 42.21 C ATOM 1918 NH1 ARG B 57 1.896 -2.508 13.055 1.00 60.32 N ATOM 1919 NH2 ARG B 57 2.192 -0.610 14.179 1.00 44.10 N ATOM 0 H ARG B 57 2.501 0.432 7.364 1.00 22.30 H new ATOM 0 HA ARG B 57 3.361 -2.304 7.724 1.00 3.22 H new ATOM 0 HB2 ARG B 57 0.636 -0.957 8.015 1.00 1.43 H new ATOM 0 HB3 ARG B 57 1.007 -2.590 8.533 1.00 1.43 H new ATOM 0 HG2 ARG B 57 2.784 -1.643 10.074 1.00 31.34 H new ATOM 0 HG3 ARG B 57 2.274 -0.031 9.614 1.00 31.34 H new ATOM 0 HD2 ARG B 57 -0.020 -0.521 10.497 1.00 43.33 H new ATOM 0 HD3 ARG B 57 0.521 -2.114 10.989 1.00 43.33 H new ATOM 0 HE ARG B 57 1.351 0.490 12.186 1.00 61.04 H new ATOM 0 HH11 ARG B 57 1.624 -3.001 12.205 1.00 60.32 H new ATOM 0 HH12 ARG B 57 2.245 -3.031 13.858 1.00 60.32 H new ATOM 0 HH21 ARG B 57 2.156 0.408 14.225 1.00 44.10 H new ATOM 0 HH22 ARG B 57 2.540 -1.145 14.975 1.00 44.10 H new ATOM 1933 N VAL B 58 1.847 -1.580 4.977 1.00 43.33 N ATOM 1934 CA VAL B 58 1.652 -2.127 3.621 1.00 73.12 C ATOM 1935 C VAL B 58 2.983 -2.740 3.108 1.00 74.31 C ATOM 1936 O VAL B 58 2.984 -3.840 2.565 1.00 41.43 O ATOM 1937 CB VAL B 58 1.109 -1.042 2.612 1.00 12.33 C ATOM 1938 CG1 VAL B 58 1.084 -1.580 1.164 1.00 33.42 C ATOM 1939 CG2 VAL B 58 -0.302 -0.546 3.028 1.00 11.24 C ATOM 0 H VAL B 58 1.792 -0.563 5.026 1.00 43.33 H new ATOM 0 HA VAL B 58 0.893 -2.907 3.680 1.00 73.12 H new ATOM 0 HB VAL B 58 1.795 -0.196 2.647 1.00 12.33 H new ATOM 0 HG11 VAL B 58 0.705 -0.807 0.495 1.00 33.42 H new ATOM 0 HG12 VAL B 58 2.094 -1.858 0.862 1.00 33.42 H new ATOM 0 HG13 VAL B 58 0.436 -2.455 1.112 1.00 33.42 H new ATOM 0 HG21 VAL B 58 -0.650 0.201 2.314 1.00 11.24 H new ATOM 0 HG22 VAL B 58 -0.995 -1.388 3.040 1.00 11.24 H new ATOM 0 HG23 VAL B 58 -0.253 -0.102 4.022 1.00 11.24 H new ATOM 1949 N ILE B 59 4.111 -2.028 3.322 1.00 1.32 N ATOM 1950 CA ILE B 59 5.470 -2.553 3.023 1.00 61.01 C ATOM 1951 C ILE B 59 5.727 -3.878 3.798 1.00 73.51 C ATOM 1952 O ILE B 59 6.122 -4.878 3.202 1.00 52.22 O ATOM 1953 CB ILE B 59 6.583 -1.488 3.376 1.00 64.21 C ATOM 1954 CG1 ILE B 59 6.416 -0.199 2.508 1.00 24.33 C ATOM 1955 CG2 ILE B 59 8.016 -2.063 3.224 1.00 73.22 C ATOM 1956 CD1 ILE B 59 7.337 0.947 2.885 1.00 55.23 C ATOM 0 H ILE B 59 4.111 -1.082 3.703 1.00 1.32 H new ATOM 0 HA ILE B 59 5.521 -2.757 1.953 1.00 61.01 H new ATOM 0 HB ILE B 59 6.448 -1.225 4.425 1.00 64.21 H new ATOM 0 HG12 ILE B 59 6.589 -0.457 1.463 1.00 24.33 H new ATOM 0 HG13 ILE B 59 5.384 0.143 2.585 1.00 24.33 H new ATOM 0 HG21 ILE B 59 8.745 -1.294 3.478 1.00 73.22 H new ATOM 0 HG22 ILE B 59 8.139 -2.915 3.893 1.00 73.22 H new ATOM 0 HG23 ILE B 59 8.171 -2.385 2.194 1.00 73.22 H new ATOM 0 HD11 ILE B 59 7.148 1.796 2.229 1.00 55.23 H new ATOM 0 HD12 ILE B 59 7.151 1.239 3.919 1.00 55.23 H new ATOM 0 HD13 ILE B 59 8.374 0.630 2.779 1.00 55.23 H new ATOM 1968 N ASP B 60 5.455 -3.859 5.123 1.00 32.53 N ATOM 1969 CA ASP B 60 5.581 -5.050 6.014 1.00 23.51 C ATOM 1970 C ASP B 60 4.664 -6.222 5.578 1.00 12.12 C ATOM 1971 O ASP B 60 5.048 -7.384 5.682 1.00 33.12 O ATOM 1972 CB ASP B 60 5.266 -4.659 7.484 1.00 51.00 C ATOM 1973 CG ASP B 60 6.244 -3.620 8.056 1.00 45.41 C ATOM 1974 OD1 ASP B 60 7.467 -3.882 8.049 1.00 73.32 O ATOM 1975 OD2 ASP B 60 5.803 -2.553 8.542 1.00 44.40 O ATOM 0 H ASP B 60 5.141 -3.020 5.611 1.00 32.53 H new ATOM 0 HA ASP B 60 6.612 -5.395 5.934 1.00 23.51 H new ATOM 0 HB2 ASP B 60 4.252 -4.263 7.539 1.00 51.00 H new ATOM 0 HB3 ASP B 60 5.292 -5.554 8.105 1.00 51.00 H new ATOM 1980 N TYR B 61 3.454 -5.882 5.102 1.00 62.10 N ATOM 1981 CA TYR B 61 2.468 -6.845 4.545 1.00 14.34 C ATOM 1982 C TYR B 61 3.060 -7.615 3.335 1.00 4.44 C ATOM 1983 O TYR B 61 2.998 -8.841 3.278 1.00 21.44 O ATOM 1984 CB TYR B 61 1.180 -6.064 4.140 1.00 3.31 C ATOM 1985 CG TYR B 61 0.105 -6.855 3.362 1.00 52.52 C ATOM 1986 CD1 TYR B 61 -0.757 -7.746 4.010 1.00 20.41 C ATOM 1987 CD2 TYR B 61 -0.061 -6.691 1.978 1.00 24.12 C ATOM 1988 CE1 TYR B 61 -1.731 -8.434 3.320 1.00 65.13 C ATOM 1989 CE2 TYR B 61 -1.036 -7.383 1.289 1.00 71.14 C ATOM 1990 CZ TYR B 61 -1.866 -8.253 1.966 1.00 71.41 C ATOM 1991 OH TYR B 61 -2.850 -8.933 1.294 1.00 4.22 O ATOM 0 H TYR B 61 3.121 -4.918 5.090 1.00 62.10 H new ATOM 0 HA TYR B 61 2.218 -7.588 5.302 1.00 14.34 H new ATOM 0 HB2 TYR B 61 0.722 -5.669 5.047 1.00 3.31 H new ATOM 0 HB3 TYR B 61 1.477 -5.208 3.534 1.00 3.31 H new ATOM 0 HD1 TYR B 61 -0.657 -7.898 5.075 1.00 20.41 H new ATOM 0 HD2 TYR B 61 0.586 -6.011 1.443 1.00 24.12 H new ATOM 0 HE1 TYR B 61 -2.387 -9.114 3.843 1.00 65.13 H new ATOM 0 HE2 TYR B 61 -1.149 -7.244 0.224 1.00 71.14 H new ATOM 0 HH TYR B 61 -3.608 -9.090 1.895 1.00 4.22 H new ATOM 2001 N ILE B 62 3.669 -6.862 2.406 1.00 21.11 N ATOM 2002 CA ILE B 62 4.271 -7.410 1.168 1.00 22.42 C ATOM 2003 C ILE B 62 5.557 -8.240 1.483 1.00 32.31 C ATOM 2004 O ILE B 62 5.801 -9.295 0.876 1.00 43.53 O ATOM 2005 CB ILE B 62 4.595 -6.232 0.163 1.00 23.20 C ATOM 2006 CG1 ILE B 62 3.322 -5.352 -0.103 1.00 31.41 C ATOM 2007 CG2 ILE B 62 5.160 -6.766 -1.172 1.00 33.24 C ATOM 2008 CD1 ILE B 62 3.572 -4.082 -0.910 1.00 41.44 C ATOM 0 H ILE B 62 3.761 -5.849 2.488 1.00 21.11 H new ATOM 0 HA ILE B 62 3.552 -8.085 0.703 1.00 22.42 H new ATOM 0 HB ILE B 62 5.358 -5.610 0.631 1.00 23.20 H new ATOM 0 HG12 ILE B 62 2.583 -5.958 -0.628 1.00 31.41 H new ATOM 0 HG13 ILE B 62 2.884 -5.075 0.856 1.00 31.41 H new ATOM 0 HG21 ILE B 62 5.371 -5.930 -1.838 1.00 33.24 H new ATOM 0 HG22 ILE B 62 6.079 -7.320 -0.982 1.00 33.24 H new ATOM 0 HG23 ILE B 62 4.429 -7.426 -1.639 1.00 33.24 H new ATOM 0 HD11 ILE B 62 2.633 -3.543 -1.041 1.00 41.44 H new ATOM 0 HD12 ILE B 62 4.283 -3.448 -0.380 1.00 41.44 H new ATOM 0 HD13 ILE B 62 3.978 -4.346 -1.887 1.00 41.44 H new ATOM 2020 N LEU B 63 6.353 -7.750 2.453 1.00 2.25 N ATOM 2021 CA LEU B 63 7.593 -8.419 2.925 1.00 51.34 C ATOM 2022 C LEU B 63 7.307 -9.732 3.699 1.00 42.12 C ATOM 2023 O LEU B 63 8.090 -10.675 3.630 1.00 12.34 O ATOM 2024 CB LEU B 63 8.406 -7.447 3.823 1.00 64.03 C ATOM 2025 CG LEU B 63 9.041 -6.211 3.100 1.00 53.41 C ATOM 2026 CD1 LEU B 63 9.735 -5.269 4.112 1.00 23.44 C ATOM 2027 CD2 LEU B 63 10.014 -6.655 1.972 1.00 32.00 C ATOM 0 H LEU B 63 6.157 -6.874 2.938 1.00 2.25 H new ATOM 0 HA LEU B 63 8.170 -8.686 2.040 1.00 51.34 H new ATOM 0 HB2 LEU B 63 7.752 -7.083 4.615 1.00 64.03 H new ATOM 0 HB3 LEU B 63 9.205 -8.011 4.304 1.00 64.03 H new ATOM 0 HG LEU B 63 8.234 -5.649 2.630 1.00 53.41 H new ATOM 0 HD11 LEU B 63 10.167 -4.420 3.582 1.00 23.44 H new ATOM 0 HD12 LEU B 63 9.003 -4.911 4.836 1.00 23.44 H new ATOM 0 HD13 LEU B 63 10.525 -5.812 4.632 1.00 23.44 H new ATOM 0 HD21 LEU B 63 10.438 -5.774 1.490 1.00 32.00 H new ATOM 0 HD22 LEU B 63 10.816 -7.256 2.399 1.00 32.00 H new ATOM 0 HD23 LEU B 63 9.471 -7.246 1.235 1.00 32.00 H new ATOM 2039 N ASP B 64 6.183 -9.757 4.442 1.00 52.35 N ATOM 2040 CA ASP B 64 5.727 -10.940 5.220 1.00 75.22 C ATOM 2041 C ASP B 64 5.393 -12.131 4.286 1.00 1.13 C ATOM 2042 O ASP B 64 5.637 -13.292 4.626 1.00 31.52 O ATOM 2043 CB ASP B 64 4.491 -10.537 6.071 1.00 62.24 C ATOM 2044 CG ASP B 64 3.893 -11.680 6.915 1.00 72.01 C ATOM 2045 OD1 ASP B 64 4.462 -12.014 7.971 1.00 53.01 O ATOM 2046 OD2 ASP B 64 2.846 -12.246 6.523 1.00 52.43 O ATOM 0 H ASP B 64 5.558 -8.955 4.524 1.00 52.35 H new ATOM 0 HA ASP B 64 6.531 -11.267 5.880 1.00 75.22 H new ATOM 0 HB2 ASP B 64 4.775 -9.722 6.736 1.00 62.24 H new ATOM 0 HB3 ASP B 64 3.718 -10.151 5.406 1.00 62.24 H new ATOM 2051 N LEU B 65 4.833 -11.809 3.109 1.00 34.30 N ATOM 2052 CA LEU B 65 4.464 -12.805 2.076 1.00 74.14 C ATOM 2053 C LEU B 65 5.710 -13.367 1.353 1.00 1.22 C ATOM 2054 O LEU B 65 5.805 -14.572 1.076 1.00 31.31 O ATOM 2055 CB LEU B 65 3.500 -12.147 1.053 1.00 71.45 C ATOM 2056 CG LEU B 65 2.217 -11.502 1.660 1.00 70.43 C ATOM 2057 CD1 LEU B 65 1.360 -10.819 0.577 1.00 12.11 C ATOM 2058 CD2 LEU B 65 1.396 -12.531 2.475 1.00 52.43 C ATOM 0 H LEU B 65 4.620 -10.848 2.841 1.00 34.30 H new ATOM 0 HA LEU B 65 3.968 -13.642 2.567 1.00 74.14 H new ATOM 0 HB2 LEU B 65 4.047 -11.380 0.506 1.00 71.45 H new ATOM 0 HB3 LEU B 65 3.198 -12.902 0.327 1.00 71.45 H new ATOM 0 HG LEU B 65 2.540 -10.725 2.353 1.00 70.43 H new ATOM 0 HD11 LEU B 65 0.474 -10.381 1.037 1.00 12.11 H new ATOM 0 HD12 LEU B 65 1.943 -10.036 0.092 1.00 12.11 H new ATOM 0 HD13 LEU B 65 1.056 -11.557 -0.165 1.00 12.11 H new ATOM 0 HD21 LEU B 65 0.509 -12.047 2.884 1.00 52.43 H new ATOM 0 HD22 LEU B 65 1.094 -13.353 1.825 1.00 52.43 H new ATOM 0 HD23 LEU B 65 2.006 -12.919 3.291 1.00 52.43 H new ATOM 2070 N GLN B 66 6.649 -12.465 1.045 1.00 60.21 N ATOM 2071 CA GLN B 66 7.882 -12.788 0.286 1.00 32.54 C ATOM 2072 C GLN B 66 9.085 -13.117 1.205 1.00 65.52 C ATOM 2073 O GLN B 66 8.951 -13.195 2.431 1.00 41.21 O ATOM 2074 CB GLN B 66 8.224 -11.601 -0.657 1.00 10.34 C ATOM 2075 CG GLN B 66 7.146 -11.298 -1.719 1.00 41.42 C ATOM 2076 CD GLN B 66 7.539 -10.145 -2.651 1.00 25.53 C ATOM 2077 OE1 GLN B 66 8.133 -10.346 -3.707 1.00 61.22 O ATOM 2078 NE2 GLN B 66 7.244 -8.932 -2.244 1.00 14.22 N ATOM 0 H GLN B 66 6.583 -11.483 1.313 1.00 60.21 H new ATOM 0 HA GLN B 66 7.688 -13.688 -0.297 1.00 32.54 H new ATOM 0 HB2 GLN B 66 8.383 -10.708 -0.053 1.00 10.34 H new ATOM 0 HB3 GLN B 66 9.165 -11.815 -1.163 1.00 10.34 H new ATOM 0 HG2 GLN B 66 6.965 -12.194 -2.313 1.00 41.42 H new ATOM 0 HG3 GLN B 66 6.209 -11.052 -1.219 1.00 41.42 H new ATOM 0 HE21 GLN B 66 6.750 -8.796 -1.362 1.00 14.22 H new ATOM 0 HE22 GLN B 66 7.509 -8.126 -2.810 1.00 14.22 H new ATOM 2087 N VAL B 67 10.260 -13.330 0.575 1.00 22.34 N ATOM 2088 CA VAL B 67 11.532 -13.610 1.278 1.00 22.21 C ATOM 2089 C VAL B 67 12.065 -12.369 2.056 1.00 43.25 C ATOM 2090 O VAL B 67 12.093 -11.243 1.532 1.00 72.00 O ATOM 2091 CB VAL B 67 12.629 -14.149 0.278 1.00 25.01 C ATOM 2092 CG1 VAL B 67 12.244 -15.545 -0.275 1.00 54.24 C ATOM 2093 CG2 VAL B 67 12.901 -13.152 -0.882 1.00 20.13 C ATOM 0 H VAL B 67 10.354 -13.313 -0.441 1.00 22.34 H new ATOM 0 HA VAL B 67 11.318 -14.387 2.012 1.00 22.21 H new ATOM 0 HB VAL B 67 13.555 -14.248 0.845 1.00 25.01 H new ATOM 0 HG11 VAL B 67 13.018 -15.891 -0.961 1.00 54.24 H new ATOM 0 HG12 VAL B 67 12.150 -16.250 0.551 1.00 54.24 H new ATOM 0 HG13 VAL B 67 11.294 -15.477 -0.805 1.00 54.24 H new ATOM 0 HG21 VAL B 67 13.662 -13.564 -1.545 1.00 20.13 H new ATOM 0 HG22 VAL B 67 11.981 -12.987 -1.443 1.00 20.13 H new ATOM 0 HG23 VAL B 67 13.251 -12.204 -0.473 1.00 20.13 H new ATOM 2103 N VAL B 68 12.456 -12.599 3.324 1.00 12.21 N ATOM 2104 CA VAL B 68 13.095 -11.583 4.212 1.00 33.15 C ATOM 2105 C VAL B 68 14.243 -12.231 5.052 1.00 11.04 C ATOM 2106 O VAL B 68 15.395 -11.748 4.984 1.00 37.88 O ATOM 2107 CB VAL B 68 12.051 -10.841 5.163 1.00 5.52 C ATOM 2108 CG1 VAL B 68 11.297 -9.724 4.399 1.00 43.31 C ATOM 2109 CG2 VAL B 68 11.049 -11.836 5.808 1.00 73.40 C ATOM 2110 OXT VAL B 68 13.999 -13.237 5.754 1.00 37.88 O ATOM 0 H VAL B 68 12.339 -13.506 3.776 1.00 12.21 H new ATOM 0 HA VAL B 68 13.517 -10.819 3.559 1.00 33.15 H new ATOM 0 HB VAL B 68 12.622 -10.380 5.969 1.00 5.52 H new ATOM 0 HG11 VAL B 68 10.592 -9.235 5.072 1.00 43.31 H new ATOM 0 HG12 VAL B 68 12.013 -8.990 4.028 1.00 43.31 H new ATOM 0 HG13 VAL B 68 10.755 -10.159 3.559 1.00 43.31 H new ATOM 0 HG21 VAL B 68 10.356 -11.290 6.448 1.00 73.40 H new ATOM 0 HG22 VAL B 68 10.492 -12.350 5.025 1.00 73.40 H new ATOM 0 HG23 VAL B 68 11.595 -12.567 6.405 1.00 73.40 H new