USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 TYR OH : rot 120:sc= 0.285 USER MOD Set 1.2: B 66 GLN : amide:sc= 0.293 K(o=0.58,f=-0.12) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.0576 K(o=0.14,f=-0.64) USER MOD Set 2.2: B 61 TYR OH : rot -119:sc= 0.087 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.273 K(o=-2.1,f=-4.7) USER MOD Set 3.2: B 29 MET CE :methyl -176:sc= -1.81! (180deg=-1.4) USER MOD Set 4.1: A 29 MET CE :methyl -122:sc= -0.0547 (180deg=-0.971) USER MOD Set 4.2: A 33 TYR OH : rot -100:sc= 0.856 USER MOD Set 4.3: B 33 TYR OH : rot 88:sc= 1.02 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 32 CYS SG : rot 75:sc= -0.226 USER MOD Single : A 34 SER OG : rot 77:sc= 0.326 USER MOD Single : A 47 THR OG1 : rot -71:sc= 0.932 USER MOD Single : A 48 GLN : amide:sc= 0.47 K(o=0.47,f=-3.6!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.716 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 30 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : B 31 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : B 32 CYS SG : rot 72:sc= -1.17 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : B 48 GLN : amide:sc= -0.117 K(o=-0.12,f=-2) USER MOD Single : B 50 SER OG : rot 180:sc= 0.221 USER MOD Single : B 51 GLN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : B 56 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 9.826 12.876 6.321 1.00 52.25 N ATOM 372 CA ASP A 27 9.307 12.595 4.951 1.00 24.33 C ATOM 373 C ASP A 27 9.203 11.071 4.704 1.00 13.13 C ATOM 374 O ASP A 27 9.463 10.572 3.605 1.00 54.24 O ATOM 375 CB ASP A 27 10.132 13.345 3.865 1.00 55.35 C ATOM 376 CG ASP A 27 9.983 14.870 3.991 1.00 73.32 C ATOM 377 OD1 ASP A 27 10.779 15.507 4.715 1.00 41.32 O ATOM 378 OD2 ASP A 27 9.037 15.431 3.400 1.00 52.14 O ATOM 0 HA ASP A 27 8.293 12.988 4.875 1.00 24.33 H new ATOM 0 HB2 ASP A 27 11.184 13.073 3.955 1.00 55.35 H new ATOM 0 HB3 ASP A 27 9.804 13.028 2.875 1.00 55.35 H new ATOM 383 N ASP A 28 8.748 10.363 5.760 1.00 5.22 N ATOM 384 CA ASP A 28 8.645 8.886 5.802 1.00 55.44 C ATOM 385 C ASP A 28 7.715 8.355 4.682 1.00 0.04 C ATOM 386 O ASP A 28 7.946 7.283 4.121 1.00 61.24 O ATOM 387 CB ASP A 28 8.107 8.446 7.185 1.00 51.12 C ATOM 388 CG ASP A 28 8.796 9.162 8.357 1.00 45.32 C ATOM 389 OD1 ASP A 28 9.892 8.738 8.766 1.00 63.45 O ATOM 390 OD2 ASP A 28 8.245 10.173 8.849 1.00 1.25 O ATOM 0 H ASP A 28 8.436 10.808 6.623 1.00 5.22 H new ATOM 0 HA ASP A 28 9.638 8.467 5.641 1.00 55.44 H new ATOM 0 HB2 ASP A 28 7.035 8.639 7.229 1.00 51.12 H new ATOM 0 HB3 ASP A 28 8.242 7.370 7.295 1.00 51.12 H new ATOM 395 N MET A 29 6.666 9.147 4.393 1.00 44.14 N ATOM 396 CA MET A 29 5.721 8.925 3.280 1.00 60.24 C ATOM 397 C MET A 29 6.442 8.777 1.911 1.00 11.34 C ATOM 398 O MET A 29 6.132 7.868 1.132 1.00 23.45 O ATOM 399 CB MET A 29 4.696 10.104 3.264 1.00 70.24 C ATOM 400 CG MET A 29 3.888 10.266 1.966 1.00 70.43 C ATOM 401 SD MET A 29 2.390 11.251 2.169 1.00 4.21 S ATOM 402 CE MET A 29 1.369 10.108 3.099 1.00 73.43 C ATOM 0 H MET A 29 6.446 9.980 4.940 1.00 44.14 H new ATOM 0 HA MET A 29 5.199 7.981 3.440 1.00 60.24 H new ATOM 0 HB2 MET A 29 3.998 9.966 4.090 1.00 70.24 H new ATOM 0 HB3 MET A 29 5.235 11.032 3.453 1.00 70.24 H new ATOM 0 HG2 MET A 29 4.520 10.732 1.210 1.00 70.43 H new ATOM 0 HG3 MET A 29 3.616 9.279 1.591 1.00 70.43 H new ATOM 0 HE1 MET A 29 0.445 9.918 2.553 1.00 73.43 H new ATOM 0 HE2 MET A 29 1.907 9.171 3.239 1.00 73.43 H new ATOM 0 HE3 MET A 29 1.133 10.540 4.072 1.00 73.43 H new ATOM 412 N ASN A 30 7.423 9.661 1.652 1.00 25.54 N ATOM 413 CA ASN A 30 8.205 9.651 0.398 1.00 30.34 C ATOM 414 C ASN A 30 9.067 8.363 0.277 1.00 31.14 C ATOM 415 O ASN A 30 9.170 7.777 -0.807 1.00 63.31 O ATOM 416 CB ASN A 30 9.087 10.923 0.322 1.00 22.42 C ATOM 417 CG ASN A 30 9.803 11.071 -1.021 1.00 63.21 C ATOM 418 OD1 ASN A 30 9.237 11.588 -1.972 1.00 72.32 O ATOM 419 ND2 ASN A 30 11.040 10.616 -1.116 1.00 73.01 N ATOM 0 H ASN A 30 7.696 10.399 2.301 1.00 25.54 H new ATOM 0 HA ASN A 30 7.512 9.652 -0.443 1.00 30.34 H new ATOM 0 HB2 ASN A 30 8.465 11.801 0.495 1.00 22.42 H new ATOM 0 HB3 ASN A 30 9.827 10.894 1.122 1.00 22.42 H new ATOM 0 HD21 ASN A 30 11.545 10.692 -1.999 1.00 73.01 H new ATOM 0 HD22 ASN A 30 11.490 10.188 -0.306 1.00 73.01 H new ATOM 426 N HIS A 31 9.670 7.935 1.408 1.00 74.32 N ATOM 427 CA HIS A 31 10.448 6.669 1.479 1.00 74.21 C ATOM 428 C HIS A 31 9.555 5.444 1.158 1.00 64.33 C ATOM 429 O HIS A 31 9.946 4.548 0.395 1.00 42.13 O ATOM 430 CB HIS A 31 11.096 6.497 2.882 1.00 63.33 C ATOM 431 CG HIS A 31 12.141 7.532 3.218 1.00 23.34 C ATOM 432 ND1 HIS A 31 13.432 7.412 2.767 1.00 31.25 N ATOM 433 CD2 HIS A 31 12.043 8.665 3.956 1.00 21.32 C ATOM 434 CE1 HIS A 31 14.081 8.460 3.235 1.00 73.32 C ATOM 435 NE2 HIS A 31 13.280 9.249 3.959 1.00 2.05 N ATOM 0 H HIS A 31 9.635 8.447 2.290 1.00 74.32 H new ATOM 0 HA HIS A 31 11.238 6.727 0.730 1.00 74.21 H new ATOM 0 HB2 HIS A 31 10.311 6.532 3.638 1.00 63.33 H new ATOM 0 HB3 HIS A 31 11.550 5.508 2.940 1.00 63.33 H new ATOM 0 HD2 HIS A 31 11.156 9.036 4.448 1.00 21.32 H new ATOM 0 HE1 HIS A 31 15.128 8.656 3.056 1.00 73.32 H new ATOM 0 HE2 HIS A 31 13.541 10.119 4.424 1.00 2.05 H new ATOM 443 N CYS A 32 8.338 5.448 1.736 1.00 60.31 N ATOM 444 CA CYS A 32 7.357 4.353 1.585 1.00 22.34 C ATOM 445 C CYS A 32 6.873 4.197 0.125 1.00 62.15 C ATOM 446 O CYS A 32 6.863 3.088 -0.405 1.00 25.12 O ATOM 447 CB CYS A 32 6.154 4.588 2.522 1.00 31.23 C ATOM 448 SG CYS A 32 6.591 4.672 4.272 1.00 12.15 S ATOM 0 H CYS A 32 8.006 6.213 2.323 1.00 60.31 H new ATOM 0 HA CYS A 32 7.859 3.425 1.860 1.00 22.34 H new ATOM 0 HB2 CYS A 32 5.660 5.517 2.236 1.00 31.23 H new ATOM 0 HB3 CYS A 32 5.431 3.785 2.377 1.00 31.23 H new ATOM 0 HG CYS A 32 7.159 5.814 4.523 1.00 12.15 H new ATOM 454 N TYR A 33 6.498 5.326 -0.513 1.00 14.12 N ATOM 455 CA TYR A 33 6.003 5.350 -1.919 1.00 5.22 C ATOM 456 C TYR A 33 7.055 4.864 -2.945 1.00 34.24 C ATOM 457 O TYR A 33 6.698 4.283 -3.985 1.00 3.12 O ATOM 458 CB TYR A 33 5.501 6.774 -2.291 1.00 3.04 C ATOM 459 CG TYR A 33 4.075 7.084 -1.808 1.00 52.43 C ATOM 460 CD1 TYR A 33 3.028 6.216 -2.115 1.00 23.43 C ATOM 461 CD2 TYR A 33 3.762 8.242 -1.097 1.00 30.14 C ATOM 462 CE1 TYR A 33 1.737 6.486 -1.742 1.00 74.53 C ATOM 463 CE2 TYR A 33 2.466 8.506 -0.713 1.00 61.33 C ATOM 464 CZ TYR A 33 1.461 7.630 -1.037 1.00 70.12 C ATOM 465 OH TYR A 33 0.176 7.911 -0.665 1.00 43.33 O ATOM 0 H TYR A 33 6.527 6.247 -0.076 1.00 14.12 H new ATOM 0 HA TYR A 33 5.173 4.645 -1.968 1.00 5.22 H new ATOM 0 HB2 TYR A 33 6.184 7.510 -1.868 1.00 3.04 H new ATOM 0 HB3 TYR A 33 5.539 6.889 -3.374 1.00 3.04 H new ATOM 0 HD1 TYR A 33 3.240 5.308 -2.660 1.00 23.43 H new ATOM 0 HD2 TYR A 33 4.546 8.941 -0.844 1.00 30.14 H new ATOM 0 HE1 TYR A 33 0.942 5.802 -2.001 1.00 74.53 H new ATOM 0 HE2 TYR A 33 2.241 9.404 -0.156 1.00 61.33 H new ATOM 0 HH TYR A 33 -0.209 8.565 -1.286 1.00 43.33 H new ATOM 475 N SER A 34 8.343 5.121 -2.657 1.00 75.02 N ATOM 476 CA SER A 34 9.467 4.594 -3.465 1.00 51.33 C ATOM 477 C SER A 34 9.498 3.047 -3.413 1.00 63.01 C ATOM 478 O SER A 34 9.469 2.382 -4.449 1.00 73.11 O ATOM 479 CB SER A 34 10.808 5.171 -2.959 1.00 35.14 C ATOM 480 OG SER A 34 10.845 6.585 -3.080 1.00 74.33 O ATOM 0 H SER A 34 8.637 5.694 -1.866 1.00 75.02 H new ATOM 0 HA SER A 34 9.320 4.902 -4.500 1.00 51.33 H new ATOM 0 HB2 SER A 34 10.956 4.890 -1.916 1.00 35.14 H new ATOM 0 HB3 SER A 34 11.630 4.735 -3.526 1.00 35.14 H new ATOM 0 HG SER A 34 10.313 6.989 -2.363 1.00 74.33 H new ATOM 486 N ARG A 35 9.493 2.507 -2.178 1.00 11.02 N ATOM 487 CA ARG A 35 9.546 1.062 -1.911 1.00 32.04 C ATOM 488 C ARG A 35 8.274 0.310 -2.410 1.00 62.32 C ATOM 489 O ARG A 35 8.366 -0.849 -2.835 1.00 35.54 O ATOM 490 CB ARG A 35 9.783 0.860 -0.398 1.00 12.13 C ATOM 491 CG ARG A 35 10.014 -0.609 0.014 1.00 44.23 C ATOM 492 CD ARG A 35 10.938 -0.766 1.229 1.00 52.33 C ATOM 493 NE ARG A 35 10.463 -0.021 2.415 1.00 60.43 N ATOM 494 CZ ARG A 35 10.414 -0.478 3.646 1.00 10.50 C ATOM 495 NH1 ARG A 35 10.722 -1.703 3.937 1.00 24.11 N ATOM 496 NH2 ARG A 35 10.035 0.313 4.594 1.00 12.12 N ATOM 0 H ARG A 35 9.451 3.072 -1.330 1.00 11.02 H new ATOM 0 HA ARG A 35 10.370 0.625 -2.475 1.00 32.04 H new ATOM 0 HB2 ARG A 35 10.647 1.451 -0.095 1.00 12.13 H new ATOM 0 HB3 ARG A 35 8.923 1.248 0.148 1.00 12.13 H new ATOM 0 HG2 ARG A 35 9.052 -1.071 0.237 1.00 44.23 H new ATOM 0 HG3 ARG A 35 10.441 -1.152 -0.829 1.00 44.23 H new ATOM 0 HD2 ARG A 35 11.022 -1.823 1.480 1.00 52.33 H new ATOM 0 HD3 ARG A 35 11.938 -0.420 0.966 1.00 52.33 H new ATOM 0 HE ARG A 35 10.144 0.936 2.263 1.00 60.43 H new ATOM 0 HH11 ARG A 35 11.013 -2.345 3.200 1.00 24.11 H new ATOM 0 HH12 ARG A 35 10.673 -2.025 4.903 1.00 24.11 H new ATOM 0 HH21 ARG A 35 9.779 1.277 4.382 1.00 12.12 H new ATOM 0 HH22 ARG A 35 9.992 -0.027 5.555 1.00 12.12 H new ATOM 510 N LEU A 36 7.101 0.984 -2.375 1.00 32.52 N ATOM 511 CA LEU A 36 5.836 0.435 -2.932 1.00 43.13 C ATOM 512 C LEU A 36 5.969 0.164 -4.451 1.00 10.10 C ATOM 513 O LEU A 36 5.773 -0.964 -4.895 1.00 40.54 O ATOM 514 CB LEU A 36 4.636 1.396 -2.665 1.00 71.52 C ATOM 515 CG LEU A 36 4.138 1.499 -1.184 1.00 1.14 C ATOM 516 CD1 LEU A 36 3.006 2.541 -1.042 1.00 13.41 C ATOM 517 CD2 LEU A 36 3.690 0.117 -0.639 1.00 73.04 C ATOM 0 H LEU A 36 7.001 1.913 -1.966 1.00 32.52 H new ATOM 0 HA LEU A 36 5.641 -0.510 -2.424 1.00 43.13 H new ATOM 0 HB2 LEU A 36 4.918 2.394 -3.000 1.00 71.52 H new ATOM 0 HB3 LEU A 36 3.798 1.076 -3.285 1.00 71.52 H new ATOM 0 HG LEU A 36 4.981 1.837 -0.581 1.00 1.14 H new ATOM 0 HD11 LEU A 36 2.683 2.588 -0.002 1.00 13.41 H new ATOM 0 HD12 LEU A 36 3.371 3.520 -1.353 1.00 13.41 H new ATOM 0 HD13 LEU A 36 2.164 2.251 -1.671 1.00 13.41 H new ATOM 0 HD21 LEU A 36 3.350 0.225 0.391 1.00 73.04 H new ATOM 0 HD22 LEU A 36 2.875 -0.269 -1.251 1.00 73.04 H new ATOM 0 HD23 LEU A 36 4.530 -0.577 -0.673 1.00 73.04 H new ATOM 529 N ARG A 37 6.361 1.206 -5.217 1.00 52.44 N ATOM 530 CA ARG A 37 6.528 1.130 -6.701 1.00 44.14 C ATOM 531 C ARG A 37 7.587 0.084 -7.158 1.00 14.45 C ATOM 532 O ARG A 37 7.590 -0.334 -8.322 1.00 35.32 O ATOM 533 CB ARG A 37 6.875 2.531 -7.270 1.00 4.34 C ATOM 534 CG ARG A 37 5.678 3.510 -7.285 1.00 4.13 C ATOM 535 CD ARG A 37 6.034 4.895 -7.857 1.00 70.42 C ATOM 536 NE ARG A 37 6.924 5.661 -6.965 1.00 13.40 N ATOM 537 CZ ARG A 37 7.249 6.930 -7.120 1.00 73.30 C ATOM 538 NH1 ARG A 37 6.800 7.645 -8.101 1.00 73.51 N ATOM 539 NH2 ARG A 37 8.032 7.491 -6.273 1.00 34.52 N ATOM 0 H ARG A 37 6.573 2.127 -4.832 1.00 52.44 H new ATOM 0 HA ARG A 37 5.573 0.790 -7.102 1.00 44.14 H new ATOM 0 HB2 ARG A 37 7.680 2.965 -6.677 1.00 4.34 H new ATOM 0 HB3 ARG A 37 7.253 2.417 -8.286 1.00 4.34 H new ATOM 0 HG2 ARG A 37 4.870 3.077 -7.875 1.00 4.13 H new ATOM 0 HG3 ARG A 37 5.302 3.629 -6.269 1.00 4.13 H new ATOM 0 HD2 ARG A 37 6.516 4.771 -8.827 1.00 70.42 H new ATOM 0 HD3 ARG A 37 5.118 5.462 -8.026 1.00 70.42 H new ATOM 0 HE ARG A 37 7.320 5.170 -6.164 1.00 13.40 H new ATOM 0 HH11 ARG A 37 6.171 7.230 -8.789 1.00 73.51 H new ATOM 0 HH12 ARG A 37 7.075 8.624 -8.186 1.00 73.51 H new ATOM 0 HH21 ARG A 37 8.399 6.956 -5.486 1.00 34.52 H new ATOM 0 HH22 ARG A 37 8.288 8.472 -6.387 1.00 34.52 H new ATOM 553 N GLU A 38 8.474 -0.327 -6.236 1.00 33.35 N ATOM 554 CA GLU A 38 9.516 -1.343 -6.514 1.00 3.00 C ATOM 555 C GLU A 38 8.957 -2.775 -6.320 1.00 40.32 C ATOM 556 O GLU A 38 9.352 -3.707 -7.034 1.00 41.41 O ATOM 557 CB GLU A 38 10.754 -1.107 -5.606 1.00 73.11 C ATOM 558 CG GLU A 38 11.475 0.240 -5.853 1.00 74.52 C ATOM 559 CD GLU A 38 12.727 0.432 -4.980 1.00 3.03 C ATOM 560 OE1 GLU A 38 12.610 0.960 -3.851 1.00 44.34 O ATOM 561 OE2 GLU A 38 13.835 0.050 -5.416 1.00 13.42 O ATOM 0 H GLU A 38 8.493 0.030 -5.281 1.00 33.35 H new ATOM 0 HA GLU A 38 9.826 -1.243 -7.554 1.00 3.00 H new ATOM 0 HB2 GLU A 38 10.440 -1.152 -4.563 1.00 73.11 H new ATOM 0 HB3 GLU A 38 11.464 -1.920 -5.760 1.00 73.11 H new ATOM 0 HG2 GLU A 38 11.760 0.304 -6.903 1.00 74.52 H new ATOM 0 HG3 GLU A 38 10.779 1.057 -5.662 1.00 74.52 H new ATOM 568 N LEU A 39 8.046 -2.933 -5.340 1.00 13.11 N ATOM 569 CA LEU A 39 7.358 -4.219 -5.066 1.00 72.13 C ATOM 570 C LEU A 39 6.212 -4.476 -6.075 1.00 43.22 C ATOM 571 O LEU A 39 5.888 -5.630 -6.383 1.00 42.32 O ATOM 572 CB LEU A 39 6.823 -4.228 -3.607 1.00 4.23 C ATOM 573 CG LEU A 39 7.924 -4.131 -2.495 1.00 60.13 C ATOM 574 CD1 LEU A 39 7.308 -3.906 -1.093 1.00 42.13 C ATOM 575 CD2 LEU A 39 8.845 -5.382 -2.508 1.00 3.44 C ATOM 0 H LEU A 39 7.764 -2.178 -4.715 1.00 13.11 H new ATOM 0 HA LEU A 39 8.080 -5.027 -5.185 1.00 72.13 H new ATOM 0 HB2 LEU A 39 6.131 -3.395 -3.485 1.00 4.23 H new ATOM 0 HB3 LEU A 39 6.251 -5.143 -3.452 1.00 4.23 H new ATOM 0 HG LEU A 39 8.537 -3.259 -2.722 1.00 60.13 H new ATOM 0 HD11 LEU A 39 8.104 -3.845 -0.351 1.00 42.13 H new ATOM 0 HD12 LEU A 39 6.738 -2.977 -1.091 1.00 42.13 H new ATOM 0 HD13 LEU A 39 6.648 -4.738 -0.848 1.00 42.13 H new ATOM 0 HD21 LEU A 39 9.599 -5.287 -1.726 1.00 3.44 H new ATOM 0 HD22 LEU A 39 8.247 -6.276 -2.329 1.00 3.44 H new ATOM 0 HD23 LEU A 39 9.336 -5.462 -3.478 1.00 3.44 H new ATOM 587 N VAL A 40 5.609 -3.382 -6.579 1.00 51.52 N ATOM 588 CA VAL A 40 4.524 -3.428 -7.587 1.00 15.33 C ATOM 589 C VAL A 40 5.124 -3.478 -9.021 1.00 32.55 C ATOM 590 O VAL A 40 5.686 -2.482 -9.490 1.00 10.00 O ATOM 591 CB VAL A 40 3.560 -2.181 -7.451 1.00 71.33 C ATOM 592 CG1 VAL A 40 2.389 -2.235 -8.469 1.00 72.42 C ATOM 593 CG2 VAL A 40 3.038 -2.054 -6.001 1.00 51.20 C ATOM 0 H VAL A 40 5.860 -2.434 -6.299 1.00 51.52 H new ATOM 0 HA VAL A 40 3.940 -4.331 -7.408 1.00 15.33 H new ATOM 0 HB VAL A 40 4.141 -1.289 -7.687 1.00 71.33 H new ATOM 0 HG11 VAL A 40 1.753 -1.359 -8.339 1.00 72.42 H new ATOM 0 HG12 VAL A 40 2.789 -2.246 -9.483 1.00 72.42 H new ATOM 0 HG13 VAL A 40 1.802 -3.138 -8.301 1.00 72.42 H new ATOM 0 HG21 VAL A 40 2.377 -1.191 -5.927 1.00 51.20 H new ATOM 0 HG22 VAL A 40 2.489 -2.956 -5.732 1.00 51.20 H new ATOM 0 HG23 VAL A 40 3.880 -1.925 -5.321 1.00 51.20 H new ATOM 603 N PRO A 41 5.011 -4.642 -9.754 1.00 45.51 N ATOM 604 CA PRO A 41 5.570 -4.792 -11.131 1.00 32.11 C ATOM 605 C PRO A 41 4.780 -4.014 -12.220 1.00 13.15 C ATOM 606 O PRO A 41 5.259 -3.874 -13.354 1.00 24.43 O ATOM 607 CB PRO A 41 5.509 -6.332 -11.388 1.00 14.50 C ATOM 608 CG PRO A 41 5.192 -6.943 -10.048 1.00 50.15 C ATOM 609 CD PRO A 41 4.373 -5.908 -9.318 1.00 72.53 C ATOM 0 HA PRO A 41 6.574 -4.373 -11.193 1.00 32.11 H new ATOM 0 HB2 PRO A 41 4.744 -6.578 -12.124 1.00 14.50 H new ATOM 0 HB3 PRO A 41 6.457 -6.704 -11.776 1.00 14.50 H new ATOM 0 HG2 PRO A 41 4.637 -7.874 -10.162 1.00 50.15 H new ATOM 0 HG3 PRO A 41 6.103 -7.181 -9.499 1.00 50.15 H new ATOM 0 HD2 PRO A 41 3.320 -5.951 -9.597 1.00 72.53 H new ATOM 0 HD3 PRO A 41 4.422 -6.038 -8.237 1.00 72.53 H new ATOM 617 N GLY A 42 3.588 -3.494 -11.857 1.00 45.20 N ATOM 618 CA GLY A 42 2.664 -2.852 -12.814 1.00 40.53 C ATOM 619 C GLY A 42 2.968 -1.380 -13.139 1.00 52.31 C ATOM 620 O GLY A 42 2.049 -0.615 -13.458 1.00 31.45 O ATOM 0 H GLY A 42 3.241 -3.507 -10.898 1.00 45.20 H new ATOM 0 HA2 GLY A 42 2.677 -3.422 -13.743 1.00 40.53 H new ATOM 0 HA3 GLY A 42 1.652 -2.917 -12.415 1.00 40.53 H new ATOM 624 N VAL A 43 4.255 -0.980 -13.066 1.00 63.32 N ATOM 625 CA VAL A 43 4.706 0.375 -13.468 1.00 55.40 C ATOM 626 C VAL A 43 5.196 0.354 -14.945 1.00 13.10 C ATOM 627 O VAL A 43 6.053 -0.468 -15.295 1.00 45.12 O ATOM 628 CB VAL A 43 5.862 0.907 -12.528 1.00 31.13 C ATOM 629 CG1 VAL A 43 6.285 2.356 -12.896 1.00 24.14 C ATOM 630 CG2 VAL A 43 5.449 0.803 -11.038 1.00 45.23 C ATOM 0 H VAL A 43 5.008 -1.580 -12.730 1.00 63.32 H new ATOM 0 HA VAL A 43 3.857 1.051 -13.372 1.00 55.40 H new ATOM 0 HB VAL A 43 6.733 0.271 -12.685 1.00 31.13 H new ATOM 0 HG11 VAL A 43 7.081 2.684 -12.227 1.00 24.14 H new ATOM 0 HG12 VAL A 43 6.643 2.380 -13.925 1.00 24.14 H new ATOM 0 HG13 VAL A 43 5.428 3.022 -12.794 1.00 24.14 H new ATOM 0 HG21 VAL A 43 6.258 1.174 -10.409 1.00 45.23 H new ATOM 0 HG22 VAL A 43 4.553 1.400 -10.866 1.00 45.23 H new ATOM 0 HG23 VAL A 43 5.244 -0.238 -10.789 1.00 45.23 H new ATOM 640 N PRO A 44 4.633 1.217 -15.854 1.00 24.12 N ATOM 641 CA PRO A 44 5.137 1.361 -17.248 1.00 11.33 C ATOM 642 C PRO A 44 6.515 2.087 -17.319 1.00 24.22 C ATOM 643 O PRO A 44 6.754 3.053 -16.587 1.00 11.22 O ATOM 644 CB PRO A 44 4.019 2.189 -17.959 1.00 52.40 C ATOM 645 CG PRO A 44 2.842 2.156 -17.017 1.00 42.03 C ATOM 646 CD PRO A 44 3.434 2.072 -15.631 1.00 2.42 C ATOM 0 HA PRO A 44 5.320 0.394 -17.716 1.00 11.33 H new ATOM 0 HB2 PRO A 44 4.345 3.212 -18.146 1.00 52.40 H new ATOM 0 HB3 PRO A 44 3.762 1.755 -18.925 1.00 52.40 H new ATOM 0 HG2 PRO A 44 2.227 3.049 -17.127 1.00 42.03 H new ATOM 0 HG3 PRO A 44 2.200 1.299 -17.222 1.00 42.03 H new ATOM 0 HD2 PRO A 44 3.701 3.055 -15.242 1.00 2.42 H new ATOM 0 HD3 PRO A 44 2.741 1.624 -14.918 1.00 2.42 H new ATOM 654 N ARG A 45 7.416 1.605 -18.201 1.00 41.11 N ATOM 655 CA ARG A 45 8.752 2.218 -18.413 1.00 24.54 C ATOM 656 C ARG A 45 8.635 3.651 -19.011 1.00 41.13 C ATOM 657 O ARG A 45 8.148 3.835 -20.135 1.00 74.01 O ATOM 658 CB ARG A 45 9.689 1.308 -19.289 1.00 13.32 C ATOM 659 CG ARG A 45 9.180 0.911 -20.711 1.00 35.22 C ATOM 660 CD ARG A 45 8.177 -0.264 -20.714 1.00 64.34 C ATOM 661 NE ARG A 45 8.776 -1.509 -20.184 1.00 0.30 N ATOM 662 CZ ARG A 45 8.172 -2.400 -19.424 1.00 14.11 C ATOM 663 NH1 ARG A 45 6.965 -2.229 -18.979 1.00 62.04 N ATOM 664 NH2 ARG A 45 8.799 -3.475 -19.105 1.00 55.02 N ATOM 0 H ARG A 45 7.243 0.786 -18.784 1.00 41.11 H new ATOM 0 HA ARG A 45 9.218 2.305 -17.431 1.00 24.54 H new ATOM 0 HB2 ARG A 45 10.644 1.820 -19.404 1.00 13.32 H new ATOM 0 HB3 ARG A 45 9.884 0.391 -18.733 1.00 13.32 H new ATOM 0 HG2 ARG A 45 8.709 1.779 -21.172 1.00 35.22 H new ATOM 0 HG3 ARG A 45 10.036 0.646 -21.331 1.00 35.22 H new ATOM 0 HD2 ARG A 45 7.306 0.002 -20.115 1.00 64.34 H new ATOM 0 HD3 ARG A 45 7.824 -0.436 -21.731 1.00 64.34 H new ATOM 0 HE ARG A 45 9.748 -1.695 -20.430 1.00 0.30 H new ATOM 0 HH11 ARG A 45 6.450 -1.381 -19.215 1.00 62.04 H new ATOM 0 HH12 ARG A 45 6.532 -2.943 -18.393 1.00 62.04 H new ATOM 0 HH21 ARG A 45 9.750 -3.629 -19.439 1.00 55.02 H new ATOM 0 HH22 ARG A 45 8.346 -4.175 -18.517 1.00 55.02 H new ATOM 678 N GLY A 46 9.059 4.664 -18.222 1.00 70.11 N ATOM 679 CA GLY A 46 8.990 6.085 -18.627 1.00 40.34 C ATOM 680 C GLY A 46 7.878 6.881 -17.920 1.00 2.30 C ATOM 681 O GLY A 46 7.504 7.964 -18.383 1.00 44.24 O ATOM 0 H GLY A 46 9.456 4.521 -17.293 1.00 70.11 H new ATOM 0 HA2 GLY A 46 9.950 6.559 -18.421 1.00 40.34 H new ATOM 0 HA3 GLY A 46 8.833 6.139 -19.704 1.00 40.34 H new ATOM 685 N THR A 47 7.339 6.346 -16.801 1.00 3.12 N ATOM 686 CA THR A 47 6.300 7.040 -15.985 1.00 32.44 C ATOM 687 C THR A 47 6.826 7.392 -14.581 1.00 33.12 C ATOM 688 O THR A 47 7.539 6.597 -13.959 1.00 11.03 O ATOM 689 CB THR A 47 4.996 6.181 -15.814 1.00 34.14 C ATOM 690 OG1 THR A 47 5.278 4.947 -15.129 1.00 73.43 O ATOM 691 CG2 THR A 47 4.326 5.877 -17.164 1.00 62.33 C ATOM 0 H THR A 47 7.604 5.431 -16.436 1.00 3.12 H new ATOM 0 HA THR A 47 6.059 7.950 -16.535 1.00 32.44 H new ATOM 0 HB THR A 47 4.305 6.776 -15.216 1.00 34.14 H new ATOM 0 HG1 THR A 47 5.792 4.356 -15.718 1.00 73.43 H new ATOM 0 HG21 THR A 47 3.428 5.281 -16.999 1.00 62.33 H new ATOM 0 HG22 THR A 47 4.056 6.812 -17.655 1.00 62.33 H new ATOM 0 HG23 THR A 47 5.018 5.322 -17.797 1.00 62.33 H new ATOM 699 N GLN A 48 6.462 8.588 -14.092 1.00 14.13 N ATOM 700 CA GLN A 48 6.758 9.024 -12.703 1.00 63.05 C ATOM 701 C GLN A 48 5.612 8.538 -11.769 1.00 11.44 C ATOM 702 O GLN A 48 5.870 8.005 -10.685 1.00 31.25 O ATOM 703 CB GLN A 48 6.913 10.587 -12.666 1.00 2.50 C ATOM 704 CG GLN A 48 7.826 11.183 -11.553 1.00 75.13 C ATOM 705 CD GLN A 48 7.378 10.885 -10.119 1.00 32.53 C ATOM 706 OE1 GLN A 48 7.835 9.935 -9.488 1.00 20.14 O ATOM 707 NE2 GLN A 48 6.479 11.687 -9.601 1.00 61.40 N ATOM 0 H GLN A 48 5.956 9.283 -14.640 1.00 14.13 H new ATOM 0 HA GLN A 48 7.695 8.589 -12.355 1.00 63.05 H new ATOM 0 HB2 GLN A 48 7.301 10.912 -13.632 1.00 2.50 H new ATOM 0 HB3 GLN A 48 5.920 11.023 -12.559 1.00 2.50 H new ATOM 0 HG2 GLN A 48 8.837 10.799 -11.689 1.00 75.13 H new ATOM 0 HG3 GLN A 48 7.875 12.264 -11.685 1.00 75.13 H new ATOM 0 HE21 GLN A 48 6.117 12.468 -10.148 1.00 61.40 H new ATOM 0 HE22 GLN A 48 6.142 11.530 -8.651 1.00 61.40 H new ATOM 716 N LEU A 49 4.350 8.711 -12.249 1.00 14.42 N ATOM 717 CA LEU A 49 3.086 8.381 -11.518 1.00 32.14 C ATOM 718 C LEU A 49 2.830 9.347 -10.327 1.00 64.14 C ATOM 719 O LEU A 49 3.765 9.759 -9.626 1.00 34.32 O ATOM 720 CB LEU A 49 3.040 6.893 -11.045 1.00 62.23 C ATOM 721 CG LEU A 49 3.231 5.800 -12.155 1.00 54.32 C ATOM 722 CD1 LEU A 49 3.231 4.377 -11.550 1.00 2.24 C ATOM 723 CD2 LEU A 49 2.168 5.930 -13.271 1.00 14.23 C ATOM 0 H LEU A 49 4.175 9.093 -13.178 1.00 14.42 H new ATOM 0 HA LEU A 49 2.279 8.518 -12.238 1.00 32.14 H new ATOM 0 HB2 LEU A 49 3.813 6.751 -10.290 1.00 62.23 H new ATOM 0 HB3 LEU A 49 2.081 6.720 -10.557 1.00 62.23 H new ATOM 0 HG LEU A 49 4.207 5.969 -12.610 1.00 54.32 H new ATOM 0 HD11 LEU A 49 3.365 3.644 -12.345 1.00 2.24 H new ATOM 0 HD12 LEU A 49 4.046 4.287 -10.832 1.00 2.24 H new ATOM 0 HD13 LEU A 49 2.282 4.196 -11.046 1.00 2.24 H new ATOM 0 HD21 LEU A 49 2.332 5.157 -14.022 1.00 14.23 H new ATOM 0 HD22 LEU A 49 1.173 5.813 -12.841 1.00 14.23 H new ATOM 0 HD23 LEU A 49 2.249 6.912 -13.738 1.00 14.23 H new ATOM 735 N SER A 50 1.550 9.721 -10.116 1.00 15.10 N ATOM 736 CA SER A 50 1.151 10.635 -9.015 1.00 64.13 C ATOM 737 C SER A 50 1.046 9.881 -7.671 1.00 41.53 C ATOM 738 O SER A 50 0.915 8.651 -7.647 1.00 74.41 O ATOM 739 CB SER A 50 -0.206 11.325 -9.320 1.00 54.24 C ATOM 740 OG SER A 50 -1.298 10.425 -9.199 1.00 60.50 O ATOM 0 H SER A 50 0.771 9.405 -10.693 1.00 15.10 H new ATOM 0 HA SER A 50 1.928 11.395 -8.937 1.00 64.13 H new ATOM 0 HB2 SER A 50 -0.349 12.163 -8.637 1.00 54.24 H new ATOM 0 HB3 SER A 50 -0.185 11.737 -10.329 1.00 54.24 H new ATOM 0 HG SER A 50 -2.134 10.897 -9.397 1.00 60.50 H new ATOM 746 N GLN A 51 1.054 10.652 -6.570 1.00 64.02 N ATOM 747 CA GLN A 51 0.958 10.130 -5.188 1.00 3.32 C ATOM 748 C GLN A 51 -0.307 9.240 -4.962 1.00 40.03 C ATOM 749 O GLN A 51 -0.249 8.220 -4.259 1.00 33.11 O ATOM 750 CB GLN A 51 0.985 11.334 -4.199 1.00 2.24 C ATOM 751 CG GLN A 51 1.110 10.941 -2.719 1.00 43.25 C ATOM 752 CD GLN A 51 1.193 12.127 -1.753 1.00 70.43 C ATOM 753 OE1 GLN A 51 0.186 12.625 -1.271 1.00 35.22 O ATOM 754 NE2 GLN A 51 2.394 12.572 -1.439 1.00 73.11 N ATOM 0 H GLN A 51 1.128 11.668 -6.611 1.00 64.02 H new ATOM 0 HA GLN A 51 1.812 9.477 -5.007 1.00 3.32 H new ATOM 0 HB2 GLN A 51 1.820 11.984 -4.461 1.00 2.24 H new ATOM 0 HB3 GLN A 51 0.073 11.917 -4.331 1.00 2.24 H new ATOM 0 HG2 GLN A 51 0.253 10.325 -2.446 1.00 43.25 H new ATOM 0 HG3 GLN A 51 1.999 10.323 -2.594 1.00 43.25 H new ATOM 0 HE21 GLN A 51 3.221 12.142 -1.853 1.00 73.11 H new ATOM 0 HE22 GLN A 51 2.496 13.346 -0.782 1.00 73.11 H new ATOM 763 N VAL A 52 -1.443 9.637 -5.578 1.00 15.21 N ATOM 764 CA VAL A 52 -2.720 8.885 -5.482 1.00 65.13 C ATOM 765 C VAL A 52 -2.696 7.596 -6.355 1.00 11.24 C ATOM 766 O VAL A 52 -3.184 6.545 -5.922 1.00 35.30 O ATOM 767 CB VAL A 52 -3.969 9.770 -5.869 1.00 43.44 C ATOM 768 CG1 VAL A 52 -5.290 9.079 -5.437 1.00 64.12 C ATOM 769 CG2 VAL A 52 -3.861 11.195 -5.270 1.00 43.24 C ATOM 0 H VAL A 52 -1.504 10.479 -6.151 1.00 15.21 H new ATOM 0 HA VAL A 52 -2.821 8.598 -4.435 1.00 65.13 H new ATOM 0 HB VAL A 52 -3.981 9.873 -6.954 1.00 43.44 H new ATOM 0 HG11 VAL A 52 -6.137 9.707 -5.714 1.00 64.12 H new ATOM 0 HG12 VAL A 52 -5.376 8.114 -5.936 1.00 64.12 H new ATOM 0 HG13 VAL A 52 -5.287 8.930 -4.357 1.00 64.12 H new ATOM 0 HG21 VAL A 52 -4.737 11.777 -5.556 1.00 43.24 H new ATOM 0 HG22 VAL A 52 -3.808 11.130 -4.183 1.00 43.24 H new ATOM 0 HG23 VAL A 52 -2.962 11.682 -5.649 1.00 43.24 H new ATOM 779 N GLU A 53 -2.123 7.698 -7.588 1.00 34.14 N ATOM 780 CA GLU A 53 -2.007 6.549 -8.535 1.00 12.34 C ATOM 781 C GLU A 53 -1.314 5.335 -7.893 1.00 63.25 C ATOM 782 O GLU A 53 -1.716 4.196 -8.131 1.00 3.34 O ATOM 783 CB GLU A 53 -1.209 6.920 -9.818 1.00 61.11 C ATOM 784 CG GLU A 53 -1.963 7.767 -10.858 1.00 65.43 C ATOM 785 CD GLU A 53 -1.144 7.966 -12.144 1.00 42.11 C ATOM 786 OE1 GLU A 53 -1.073 7.014 -12.958 1.00 50.22 O ATOM 787 OE2 GLU A 53 -0.545 9.051 -12.332 1.00 14.32 O ATOM 0 H GLU A 53 -1.733 8.568 -7.951 1.00 34.14 H new ATOM 0 HA GLU A 53 -3.034 6.296 -8.798 1.00 12.34 H new ATOM 0 HB2 GLU A 53 -0.311 7.461 -9.520 1.00 61.11 H new ATOM 0 HB3 GLU A 53 -0.881 5.998 -10.298 1.00 61.11 H new ATOM 0 HG2 GLU A 53 -2.909 7.283 -11.102 1.00 65.43 H new ATOM 0 HG3 GLU A 53 -2.204 8.739 -10.428 1.00 65.43 H new ATOM 794 N ILE A 54 -0.249 5.609 -7.117 1.00 61.23 N ATOM 795 CA ILE A 54 0.524 4.570 -6.415 1.00 63.44 C ATOM 796 C ILE A 54 -0.394 3.728 -5.500 1.00 32.22 C ATOM 797 O ILE A 54 -0.421 2.516 -5.619 1.00 54.14 O ATOM 798 CB ILE A 54 1.701 5.197 -5.579 1.00 74.03 C ATOM 799 CG1 ILE A 54 2.608 6.094 -6.489 1.00 71.03 C ATOM 800 CG2 ILE A 54 2.535 4.092 -4.872 1.00 41.12 C ATOM 801 CD1 ILE A 54 3.670 6.899 -5.753 1.00 4.54 C ATOM 0 H ILE A 54 0.099 6.555 -6.960 1.00 61.23 H new ATOM 0 HA ILE A 54 0.958 3.916 -7.171 1.00 63.44 H new ATOM 0 HB ILE A 54 1.268 5.830 -4.804 1.00 74.03 H new ATOM 0 HG12 ILE A 54 3.102 5.457 -7.223 1.00 71.03 H new ATOM 0 HG13 ILE A 54 1.971 6.784 -7.042 1.00 71.03 H new ATOM 0 HG21 ILE A 54 3.341 4.553 -4.302 1.00 41.12 H new ATOM 0 HG22 ILE A 54 1.892 3.526 -4.198 1.00 41.12 H new ATOM 0 HG23 ILE A 54 2.958 3.421 -5.620 1.00 41.12 H new ATOM 0 HD11 ILE A 54 4.244 7.486 -6.470 1.00 4.54 H new ATOM 0 HD12 ILE A 54 3.190 7.568 -5.039 1.00 4.54 H new ATOM 0 HD13 ILE A 54 4.338 6.221 -5.222 1.00 4.54 H new ATOM 813 N LEU A 55 -1.191 4.410 -4.650 1.00 22.25 N ATOM 814 CA LEU A 55 -2.140 3.767 -3.699 1.00 41.22 C ATOM 815 C LEU A 55 -3.100 2.778 -4.393 1.00 2.45 C ATOM 816 O LEU A 55 -3.225 1.623 -3.985 1.00 2.30 O ATOM 817 CB LEU A 55 -2.985 4.860 -2.999 1.00 74.24 C ATOM 818 CG LEU A 55 -2.216 5.829 -2.067 1.00 10.12 C ATOM 819 CD1 LEU A 55 -3.143 6.941 -1.525 1.00 60.23 C ATOM 820 CD2 LEU A 55 -1.547 5.047 -0.921 1.00 42.23 C ATOM 0 H LEU A 55 -1.199 5.429 -4.599 1.00 22.25 H new ATOM 0 HA LEU A 55 -1.541 3.207 -2.981 1.00 41.22 H new ATOM 0 HB2 LEU A 55 -3.486 5.449 -3.767 1.00 74.24 H new ATOM 0 HB3 LEU A 55 -3.764 4.369 -2.415 1.00 74.24 H new ATOM 0 HG LEU A 55 -1.435 6.318 -2.649 1.00 10.12 H new ATOM 0 HD11 LEU A 55 -2.573 7.604 -0.874 1.00 60.23 H new ATOM 0 HD12 LEU A 55 -3.551 7.513 -2.358 1.00 60.23 H new ATOM 0 HD13 LEU A 55 -3.959 6.491 -0.960 1.00 60.23 H new ATOM 0 HD21 LEU A 55 -1.010 5.740 -0.273 1.00 42.23 H new ATOM 0 HD22 LEU A 55 -2.310 4.526 -0.342 1.00 42.23 H new ATOM 0 HD23 LEU A 55 -0.847 4.321 -1.336 1.00 42.23 H new ATOM 832 N GLN A 56 -3.734 3.266 -5.467 1.00 22.34 N ATOM 833 CA GLN A 56 -4.715 2.506 -6.267 1.00 45.14 C ATOM 834 C GLN A 56 -4.052 1.260 -6.909 1.00 73.04 C ATOM 835 O GLN A 56 -4.583 0.151 -6.849 1.00 33.23 O ATOM 836 CB GLN A 56 -5.293 3.449 -7.360 1.00 64.03 C ATOM 837 CG GLN A 56 -5.943 4.738 -6.797 1.00 41.42 C ATOM 838 CD GLN A 56 -6.271 5.796 -7.858 1.00 32.12 C ATOM 839 OE1 GLN A 56 -5.613 5.890 -8.886 1.00 23.41 O ATOM 840 NE2 GLN A 56 -7.260 6.630 -7.593 1.00 54.42 N ATOM 0 H GLN A 56 -3.581 4.213 -5.813 1.00 22.34 H new ATOM 0 HA GLN A 56 -5.520 2.151 -5.624 1.00 45.14 H new ATOM 0 HB2 GLN A 56 -4.493 3.727 -8.046 1.00 64.03 H new ATOM 0 HB3 GLN A 56 -6.036 2.903 -7.941 1.00 64.03 H new ATOM 0 HG2 GLN A 56 -6.860 4.469 -6.273 1.00 41.42 H new ATOM 0 HG3 GLN A 56 -5.272 5.177 -6.059 1.00 41.42 H new ATOM 0 HE21 GLN A 56 -7.793 6.531 -6.729 1.00 54.42 H new ATOM 0 HE22 GLN A 56 -7.491 7.374 -8.252 1.00 54.42 H new ATOM 849 N ARG A 57 -2.848 1.480 -7.455 1.00 45.45 N ATOM 850 CA ARG A 57 -2.069 0.471 -8.209 1.00 11.13 C ATOM 851 C ARG A 57 -1.408 -0.583 -7.268 1.00 14.21 C ATOM 852 O ARG A 57 -1.124 -1.715 -7.687 1.00 4.22 O ATOM 853 CB ARG A 57 -1.034 1.233 -9.079 1.00 53.42 C ATOM 854 CG ARG A 57 -0.341 0.418 -10.197 1.00 45.23 C ATOM 855 CD ARG A 57 0.213 1.331 -11.319 1.00 31.41 C ATOM 856 NE ARG A 57 -0.886 2.024 -12.043 1.00 2.30 N ATOM 857 CZ ARG A 57 -0.996 3.324 -12.262 1.00 42.31 C ATOM 858 NH1 ARG A 57 -0.152 4.178 -11.781 1.00 71.14 N ATOM 859 NH2 ARG A 57 -1.995 3.767 -12.952 1.00 73.30 N ATOM 0 H ARG A 57 -2.373 2.380 -7.387 1.00 45.45 H new ATOM 0 HA ARG A 57 -2.729 -0.109 -8.854 1.00 11.13 H new ATOM 0 HB2 ARG A 57 -1.535 2.085 -9.538 1.00 53.42 H new ATOM 0 HB3 ARG A 57 -0.263 1.633 -8.421 1.00 53.42 H new ATOM 0 HG2 ARG A 57 0.474 -0.166 -9.769 1.00 45.23 H new ATOM 0 HG3 ARG A 57 -1.051 -0.291 -10.623 1.00 45.23 H new ATOM 0 HD2 ARG A 57 0.890 2.069 -10.889 1.00 31.41 H new ATOM 0 HD3 ARG A 57 0.795 0.735 -12.022 1.00 31.41 H new ATOM 0 HE ARG A 57 -1.634 1.435 -12.409 1.00 2.30 H new ATOM 0 HH11 ARG A 57 0.631 3.856 -11.212 1.00 71.14 H new ATOM 0 HH12 ARG A 57 -0.269 5.173 -11.971 1.00 71.14 H new ATOM 0 HH21 ARG A 57 -2.688 3.116 -13.321 1.00 73.30 H new ATOM 0 HH22 ARG A 57 -2.090 4.767 -13.127 1.00 73.30 H new ATOM 873 N VAL A 58 -1.187 -0.198 -5.990 1.00 24.03 N ATOM 874 CA VAL A 58 -0.749 -1.131 -4.922 1.00 13.21 C ATOM 875 C VAL A 58 -1.908 -2.088 -4.556 1.00 3.11 C ATOM 876 O VAL A 58 -1.684 -3.275 -4.337 1.00 40.50 O ATOM 877 CB VAL A 58 -0.238 -0.368 -3.623 1.00 14.44 C ATOM 878 CG1 VAL A 58 -0.009 -1.328 -2.425 1.00 11.23 C ATOM 879 CG2 VAL A 58 1.063 0.423 -3.908 1.00 51.21 C ATOM 0 H VAL A 58 -1.306 0.763 -5.669 1.00 24.03 H new ATOM 0 HA VAL A 58 0.094 -1.702 -5.311 1.00 13.21 H new ATOM 0 HB VAL A 58 -1.030 0.330 -3.351 1.00 14.44 H new ATOM 0 HG11 VAL A 58 0.339 -0.758 -1.564 1.00 11.23 H new ATOM 0 HG12 VAL A 58 -0.945 -1.828 -2.175 1.00 11.23 H new ATOM 0 HG13 VAL A 58 0.740 -2.073 -2.694 1.00 11.23 H new ATOM 0 HG21 VAL A 58 1.385 0.933 -3.000 1.00 51.21 H new ATOM 0 HG22 VAL A 58 1.843 -0.265 -4.234 1.00 51.21 H new ATOM 0 HG23 VAL A 58 0.877 1.159 -4.691 1.00 51.21 H new ATOM 889 N ILE A 59 -3.149 -1.558 -4.519 1.00 52.30 N ATOM 890 CA ILE A 59 -4.359 -2.366 -4.236 1.00 45.34 C ATOM 891 C ILE A 59 -4.567 -3.452 -5.322 1.00 41.04 C ATOM 892 O ILE A 59 -4.809 -4.613 -4.986 1.00 12.15 O ATOM 893 CB ILE A 59 -5.645 -1.468 -4.103 1.00 53.55 C ATOM 894 CG1 ILE A 59 -5.451 -0.414 -2.965 1.00 42.34 C ATOM 895 CG2 ILE A 59 -6.911 -2.332 -3.849 1.00 13.15 C ATOM 896 CD1 ILE A 59 -6.511 0.664 -2.890 1.00 73.04 C ATOM 0 H ILE A 59 -3.342 -0.570 -4.682 1.00 52.30 H new ATOM 0 HA ILE A 59 -4.199 -2.859 -3.277 1.00 45.34 H new ATOM 0 HB ILE A 59 -5.792 -0.940 -5.045 1.00 53.55 H new ATOM 0 HG12 ILE A 59 -5.421 -0.938 -2.009 1.00 42.34 H new ATOM 0 HG13 ILE A 59 -4.480 0.064 -3.097 1.00 42.34 H new ATOM 0 HG21 ILE A 59 -7.783 -1.683 -3.762 1.00 13.15 H new ATOM 0 HG22 ILE A 59 -7.054 -3.022 -4.681 1.00 13.15 H new ATOM 0 HG23 ILE A 59 -6.786 -2.898 -2.926 1.00 13.15 H new ATOM 0 HD11 ILE A 59 -6.283 1.342 -2.068 1.00 73.04 H new ATOM 0 HD12 ILE A 59 -6.530 1.222 -3.826 1.00 73.04 H new ATOM 0 HD13 ILE A 59 -7.485 0.205 -2.722 1.00 73.04 H new ATOM 908 N ASP A 60 -4.431 -3.058 -6.616 1.00 33.34 N ATOM 909 CA ASP A 60 -4.494 -4.003 -7.768 1.00 54.15 C ATOM 910 C ASP A 60 -3.459 -5.149 -7.619 1.00 40.52 C ATOM 911 O ASP A 60 -3.770 -6.321 -7.844 1.00 4.12 O ATOM 912 CB ASP A 60 -4.261 -3.258 -9.110 1.00 64.44 C ATOM 913 CG ASP A 60 -5.337 -2.209 -9.413 1.00 42.50 C ATOM 914 OD1 ASP A 60 -6.509 -2.595 -9.634 1.00 41.21 O ATOM 915 OD2 ASP A 60 -5.029 -1.001 -9.427 1.00 24.44 O ATOM 0 H ASP A 60 -4.276 -2.088 -6.890 1.00 33.34 H new ATOM 0 HA ASP A 60 -5.493 -4.439 -7.773 1.00 54.15 H new ATOM 0 HB2 ASP A 60 -3.286 -2.772 -9.084 1.00 64.44 H new ATOM 0 HB3 ASP A 60 -4.233 -3.985 -9.922 1.00 64.44 H new ATOM 920 N TYR A 61 -2.239 -4.769 -7.213 1.00 21.43 N ATOM 921 CA TYR A 61 -1.144 -5.707 -6.887 1.00 75.12 C ATOM 922 C TYR A 61 -1.553 -6.723 -5.776 1.00 33.44 C ATOM 923 O TYR A 61 -1.335 -7.933 -5.921 1.00 13.11 O ATOM 924 CB TYR A 61 0.100 -4.867 -6.481 1.00 63.41 C ATOM 925 CG TYR A 61 1.226 -5.620 -5.749 1.00 65.44 C ATOM 926 CD1 TYR A 61 2.077 -6.493 -6.429 1.00 63.33 C ATOM 927 CD2 TYR A 61 1.439 -5.438 -4.376 1.00 33.55 C ATOM 928 CE1 TYR A 61 3.090 -7.154 -5.770 1.00 24.40 C ATOM 929 CE2 TYR A 61 2.452 -6.096 -3.721 1.00 51.13 C ATOM 930 CZ TYR A 61 3.275 -6.950 -4.419 1.00 11.22 C ATOM 931 OH TYR A 61 4.276 -7.616 -3.759 1.00 64.41 O ATOM 0 H TYR A 61 -1.977 -3.790 -7.099 1.00 21.43 H new ATOM 0 HA TYR A 61 -0.908 -6.315 -7.761 1.00 75.12 H new ATOM 0 HB2 TYR A 61 0.519 -4.419 -7.382 1.00 63.41 H new ATOM 0 HB3 TYR A 61 -0.234 -4.048 -5.844 1.00 63.41 H new ATOM 0 HD1 TYR A 61 1.939 -6.653 -7.488 1.00 63.33 H new ATOM 0 HD2 TYR A 61 0.796 -4.769 -3.823 1.00 33.55 H new ATOM 0 HE1 TYR A 61 3.737 -7.830 -6.310 1.00 24.40 H new ATOM 0 HE2 TYR A 61 2.602 -5.944 -2.662 1.00 51.13 H new ATOM 0 HH TYR A 61 4.898 -6.967 -3.368 1.00 64.41 H new ATOM 941 N ILE A 62 -2.170 -6.217 -4.688 1.00 41.24 N ATOM 942 CA ILE A 62 -2.581 -7.058 -3.532 1.00 33.15 C ATOM 943 C ILE A 62 -3.798 -7.972 -3.886 1.00 74.10 C ATOM 944 O ILE A 62 -3.936 -9.053 -3.314 1.00 14.10 O ATOM 945 CB ILE A 62 -2.895 -6.178 -2.249 1.00 54.12 C ATOM 946 CG1 ILE A 62 -1.678 -5.261 -1.882 1.00 1.32 C ATOM 947 CG2 ILE A 62 -3.265 -7.060 -1.026 1.00 22.50 C ATOM 948 CD1 ILE A 62 -1.924 -4.288 -0.732 1.00 71.03 C ATOM 0 H ILE A 62 -2.397 -5.228 -4.581 1.00 41.24 H new ATOM 0 HA ILE A 62 -1.735 -7.704 -3.296 1.00 33.15 H new ATOM 0 HB ILE A 62 -3.752 -5.552 -2.498 1.00 54.12 H new ATOM 0 HG12 ILE A 62 -0.829 -5.895 -1.626 1.00 1.32 H new ATOM 0 HG13 ILE A 62 -1.394 -4.690 -2.766 1.00 1.32 H new ATOM 0 HG21 ILE A 62 -3.473 -6.422 -0.167 1.00 22.50 H new ATOM 0 HG22 ILE A 62 -4.149 -7.654 -1.260 1.00 22.50 H new ATOM 0 HG23 ILE A 62 -2.433 -7.724 -0.791 1.00 22.50 H new ATOM 0 HD11 ILE A 62 -1.024 -3.699 -0.555 1.00 71.03 H new ATOM 0 HD12 ILE A 62 -2.748 -3.623 -0.988 1.00 71.03 H new ATOM 0 HD13 ILE A 62 -2.175 -4.846 0.170 1.00 71.03 H new ATOM 960 N LEU A 63 -4.650 -7.549 -4.852 1.00 40.24 N ATOM 961 CA LEU A 63 -5.823 -8.353 -5.313 1.00 24.32 C ATOM 962 C LEU A 63 -5.388 -9.732 -5.875 1.00 73.42 C ATOM 963 O LEU A 63 -5.999 -10.760 -5.570 1.00 23.33 O ATOM 964 CB LEU A 63 -6.640 -7.581 -6.390 1.00 24.43 C ATOM 965 CG LEU A 63 -7.356 -6.272 -5.915 1.00 22.22 C ATOM 966 CD1 LEU A 63 -8.046 -5.543 -7.092 1.00 63.05 C ATOM 967 CD2 LEU A 63 -8.357 -6.558 -4.767 1.00 1.15 C ATOM 0 H LEU A 63 -4.551 -6.654 -5.332 1.00 40.24 H new ATOM 0 HA LEU A 63 -6.455 -8.522 -4.441 1.00 24.32 H new ATOM 0 HB2 LEU A 63 -5.969 -7.325 -7.210 1.00 24.43 H new ATOM 0 HB3 LEU A 63 -7.395 -8.255 -6.795 1.00 24.43 H new ATOM 0 HG LEU A 63 -6.587 -5.606 -5.523 1.00 22.22 H new ATOM 0 HD11 LEU A 63 -8.533 -4.639 -6.725 1.00 63.05 H new ATOM 0 HD12 LEU A 63 -7.301 -5.275 -7.841 1.00 63.05 H new ATOM 0 HD13 LEU A 63 -8.791 -6.200 -7.540 1.00 63.05 H new ATOM 0 HD21 LEU A 63 -8.836 -5.628 -4.462 1.00 1.15 H new ATOM 0 HD22 LEU A 63 -9.116 -7.260 -5.112 1.00 1.15 H new ATOM 0 HD23 LEU A 63 -7.824 -6.987 -3.918 1.00 1.15 H new ATOM 979 N ASP A 64 -4.315 -9.722 -6.687 1.00 21.25 N ATOM 980 CA ASP A 64 -3.697 -10.947 -7.239 1.00 22.13 C ATOM 981 C ASP A 64 -3.105 -11.858 -6.133 1.00 62.14 C ATOM 982 O ASP A 64 -3.130 -13.089 -6.247 1.00 24.31 O ATOM 983 CB ASP A 64 -2.612 -10.556 -8.272 1.00 15.43 C ATOM 984 CG ASP A 64 -3.215 -9.959 -9.553 1.00 11.22 C ATOM 985 OD1 ASP A 64 -3.640 -8.789 -9.532 1.00 61.41 O ATOM 986 OD2 ASP A 64 -3.294 -10.678 -10.577 1.00 53.02 O ATOM 0 H ASP A 64 -3.849 -8.863 -6.981 1.00 21.25 H new ATOM 0 HA ASP A 64 -4.478 -11.526 -7.732 1.00 22.13 H new ATOM 0 HB2 ASP A 64 -1.930 -9.834 -7.823 1.00 15.43 H new ATOM 0 HB3 ASP A 64 -2.022 -11.436 -8.527 1.00 15.43 H new ATOM 991 N LEU A 65 -2.586 -11.233 -5.063 1.00 50.11 N ATOM 992 CA LEU A 65 -2.024 -11.952 -3.896 1.00 33.20 C ATOM 993 C LEU A 65 -3.141 -12.594 -3.029 1.00 11.11 C ATOM 994 O LEU A 65 -2.953 -13.675 -2.457 1.00 32.45 O ATOM 995 CB LEU A 65 -1.166 -10.978 -3.044 1.00 4.23 C ATOM 996 CG LEU A 65 -0.015 -10.246 -3.810 1.00 20.15 C ATOM 997 CD1 LEU A 65 0.749 -9.266 -2.892 1.00 74.44 C ATOM 998 CD2 LEU A 65 0.946 -11.253 -4.483 1.00 34.02 C ATOM 0 H LEU A 65 -2.542 -10.218 -4.978 1.00 50.11 H new ATOM 0 HA LEU A 65 -1.393 -12.760 -4.265 1.00 33.20 H new ATOM 0 HB2 LEU A 65 -1.825 -10.226 -2.610 1.00 4.23 H new ATOM 0 HB3 LEU A 65 -0.730 -11.536 -2.216 1.00 4.23 H new ATOM 0 HG LEU A 65 -0.478 -9.655 -4.600 1.00 20.15 H new ATOM 0 HD11 LEU A 65 1.540 -8.777 -3.460 1.00 74.44 H new ATOM 0 HD12 LEU A 65 0.059 -8.514 -2.509 1.00 74.44 H new ATOM 0 HD13 LEU A 65 1.187 -9.815 -2.058 1.00 74.44 H new ATOM 0 HD21 LEU A 65 1.733 -10.711 -5.006 1.00 34.02 H new ATOM 0 HD22 LEU A 65 1.391 -11.895 -3.723 1.00 34.02 H new ATOM 0 HD23 LEU A 65 0.392 -11.864 -5.195 1.00 34.02 H new ATOM 1010 N GLN A 66 -4.293 -11.906 -2.938 1.00 73.03 N ATOM 1011 CA GLN A 66 -5.461 -12.361 -2.144 1.00 64.22 C ATOM 1012 C GLN A 66 -6.357 -13.332 -2.956 1.00 33.10 C ATOM 1013 O GLN A 66 -6.207 -14.558 -2.857 1.00 63.24 O ATOM 1014 CB GLN A 66 -6.292 -11.140 -1.634 1.00 72.31 C ATOM 1015 CG GLN A 66 -5.541 -10.197 -0.679 1.00 14.21 C ATOM 1016 CD GLN A 66 -5.121 -10.881 0.622 1.00 22.33 C ATOM 1017 OE1 GLN A 66 -4.038 -11.458 0.718 1.00 70.21 O ATOM 1018 NE2 GLN A 66 -5.963 -10.815 1.634 1.00 20.45 N ATOM 0 H GLN A 66 -4.446 -11.016 -3.412 1.00 73.03 H new ATOM 0 HA GLN A 66 -5.081 -12.906 -1.280 1.00 64.22 H new ATOM 0 HB2 GLN A 66 -6.632 -10.565 -2.496 1.00 72.31 H new ATOM 0 HB3 GLN A 66 -7.183 -11.512 -1.128 1.00 72.31 H new ATOM 0 HG2 GLN A 66 -4.655 -9.808 -1.182 1.00 14.21 H new ATOM 0 HG3 GLN A 66 -6.176 -9.342 -0.446 1.00 14.21 H new ATOM 0 HE21 GLN A 66 -6.854 -10.330 1.526 1.00 20.45 H new ATOM 0 HE22 GLN A 66 -5.724 -11.249 2.526 1.00 20.45 H new ATOM 1431 N ASP B 27 -11.370 13.543 -1.617 1.00 41.34 N ATOM 1432 CA ASP B 27 -10.903 12.713 -0.472 1.00 2.30 C ATOM 1433 C ASP B 27 -10.323 11.372 -1.010 1.00 41.12 C ATOM 1434 O ASP B 27 -10.081 10.427 -0.258 1.00 1.01 O ATOM 1435 CB ASP B 27 -12.105 12.480 0.509 1.00 2.43 C ATOM 1436 CG ASP B 27 -11.727 11.774 1.829 1.00 34.42 C ATOM 1437 OD1 ASP B 27 -11.004 12.379 2.643 1.00 15.34 O ATOM 1438 OD2 ASP B 27 -12.123 10.601 2.038 1.00 13.04 O ATOM 0 HA ASP B 27 -10.110 13.221 0.077 1.00 2.30 H new ATOM 0 HB2 ASP B 27 -12.558 13.443 0.744 1.00 2.43 H new ATOM 0 HB3 ASP B 27 -12.864 11.887 -0.001 1.00 2.43 H new ATOM 1443 N ASP B 28 -10.012 11.359 -2.325 1.00 23.55 N ATOM 1444 CA ASP B 28 -9.767 10.125 -3.112 1.00 54.14 C ATOM 1445 C ASP B 28 -8.601 9.271 -2.552 1.00 3.23 C ATOM 1446 O ASP B 28 -8.622 8.036 -2.652 1.00 63.21 O ATOM 1447 CB ASP B 28 -9.514 10.501 -4.601 1.00 13.32 C ATOM 1448 CG ASP B 28 -9.771 9.327 -5.563 1.00 31.53 C ATOM 1449 OD1 ASP B 28 -10.930 9.156 -5.995 1.00 20.34 O ATOM 1450 OD2 ASP B 28 -8.832 8.554 -5.856 1.00 12.04 O ATOM 0 H ASP B 28 -9.923 12.212 -2.877 1.00 23.55 H new ATOM 0 HA ASP B 28 -10.659 9.504 -3.035 1.00 54.14 H new ATOM 0 HB2 ASP B 28 -10.158 11.337 -4.875 1.00 13.32 H new ATOM 0 HB3 ASP B 28 -8.485 10.841 -4.716 1.00 13.32 H new ATOM 1455 N MET B 29 -7.606 9.945 -1.945 1.00 30.00 N ATOM 1456 CA MET B 29 -6.463 9.273 -1.294 1.00 63.53 C ATOM 1457 C MET B 29 -6.929 8.351 -0.148 1.00 13.21 C ATOM 1458 O MET B 29 -6.507 7.204 -0.048 1.00 2.22 O ATOM 1459 CB MET B 29 -5.459 10.311 -0.726 1.00 24.14 C ATOM 1460 CG MET B 29 -4.889 11.295 -1.758 1.00 12.41 C ATOM 1461 SD MET B 29 -3.305 11.997 -1.255 1.00 74.34 S ATOM 1462 CE MET B 29 -2.281 10.524 -1.226 1.00 65.11 C ATOM 0 H MET B 29 -7.570 10.963 -1.891 1.00 30.00 H new ATOM 0 HA MET B 29 -5.972 8.671 -2.059 1.00 63.53 H new ATOM 0 HB2 MET B 29 -5.954 10.880 0.061 1.00 24.14 H new ATOM 0 HB3 MET B 29 -4.631 9.776 -0.260 1.00 24.14 H new ATOM 0 HG2 MET B 29 -4.768 10.783 -2.713 1.00 12.41 H new ATOM 0 HG3 MET B 29 -5.604 12.102 -1.918 1.00 12.41 H new ATOM 0 HE1 MET B 29 -1.285 10.780 -0.864 1.00 65.11 H new ATOM 0 HE2 MET B 29 -2.729 9.783 -0.564 1.00 65.11 H new ATOM 0 HE3 MET B 29 -2.206 10.113 -2.233 1.00 65.11 H new ATOM 1472 N ASN B 30 -7.821 8.888 0.699 1.00 12.14 N ATOM 1473 CA ASN B 30 -8.329 8.207 1.910 1.00 45.01 C ATOM 1474 C ASN B 30 -9.306 7.060 1.564 1.00 62.13 C ATOM 1475 O ASN B 30 -9.456 6.118 2.343 1.00 61.33 O ATOM 1476 CB ASN B 30 -8.977 9.232 2.858 1.00 61.23 C ATOM 1477 CG ASN B 30 -8.025 10.383 3.199 1.00 50.35 C ATOM 1478 OD1 ASN B 30 -7.223 10.293 4.123 1.00 30.53 O ATOM 1479 ND2 ASN B 30 -8.105 11.469 2.454 1.00 31.43 N ATOM 0 H ASN B 30 -8.217 9.818 0.564 1.00 12.14 H new ATOM 0 HA ASN B 30 -7.482 7.748 2.419 1.00 45.01 H new ATOM 0 HB2 ASN B 30 -9.879 9.633 2.396 1.00 61.23 H new ATOM 0 HB3 ASN B 30 -9.284 8.732 3.776 1.00 61.23 H new ATOM 0 HD21 ASN B 30 -7.490 12.261 2.640 1.00 31.43 H new ATOM 0 HD22 ASN B 30 -8.781 11.516 1.692 1.00 31.43 H new ATOM 1486 N HIS B 31 -9.979 7.163 0.401 1.00 44.25 N ATOM 1487 CA HIS B 31 -10.770 6.044 -0.175 1.00 54.31 C ATOM 1488 C HIS B 31 -9.856 4.841 -0.525 1.00 15.33 C ATOM 1489 O HIS B 31 -10.217 3.680 -0.287 1.00 13.31 O ATOM 1490 CB HIS B 31 -11.558 6.521 -1.426 1.00 41.11 C ATOM 1491 CG HIS B 31 -12.719 7.427 -1.100 1.00 51.31 C ATOM 1492 ND1 HIS B 31 -13.951 6.912 -0.771 1.00 74.03 N ATOM 1493 CD2 HIS B 31 -12.787 8.779 -1.046 1.00 35.01 C ATOM 1494 CE1 HIS B 31 -14.725 7.948 -0.526 1.00 40.22 C ATOM 1495 NE2 HIS B 31 -14.063 9.100 -0.679 1.00 54.24 N ATOM 0 H HIS B 31 -9.994 8.012 -0.164 1.00 44.25 H new ATOM 0 HA HIS B 31 -11.487 5.712 0.576 1.00 54.31 H new ATOM 0 HB2 HIS B 31 -10.876 7.045 -2.096 1.00 41.11 H new ATOM 0 HB3 HIS B 31 -11.929 5.649 -1.966 1.00 41.11 H new ATOM 0 HD2 HIS B 31 -11.985 9.472 -1.254 1.00 35.01 H new ATOM 0 HE1 HIS B 31 -15.763 7.877 -0.238 1.00 40.22 H new ATOM 0 HE2 HIS B 31 -14.439 10.039 -0.547 1.00 54.24 H new ATOM 1503 N CYS B 32 -8.665 5.140 -1.076 1.00 51.21 N ATOM 1504 CA CYS B 32 -7.617 4.125 -1.333 1.00 54.13 C ATOM 1505 C CYS B 32 -7.023 3.574 -0.008 1.00 11.42 C ATOM 1506 O CYS B 32 -6.803 2.369 0.129 1.00 2.22 O ATOM 1507 CB CYS B 32 -6.491 4.724 -2.196 1.00 61.22 C ATOM 1508 SG CYS B 32 -7.035 5.358 -3.794 1.00 21.50 S ATOM 0 H CYS B 32 -8.400 6.084 -1.355 1.00 51.21 H new ATOM 0 HA CYS B 32 -8.084 3.298 -1.869 1.00 54.13 H new ATOM 0 HB2 CYS B 32 -6.015 5.532 -1.641 1.00 61.22 H new ATOM 0 HB3 CYS B 32 -5.731 3.960 -2.361 1.00 61.22 H new ATOM 0 HG CYS B 32 -7.713 6.453 -3.618 1.00 21.50 H new ATOM 1514 N TYR B 33 -6.792 4.485 0.963 1.00 3.12 N ATOM 1515 CA TYR B 33 -6.224 4.154 2.295 1.00 60.13 C ATOM 1516 C TYR B 33 -7.148 3.238 3.124 1.00 14.10 C ATOM 1517 O TYR B 33 -6.664 2.376 3.863 1.00 73.14 O ATOM 1518 CB TYR B 33 -5.910 5.449 3.098 1.00 1.01 C ATOM 1519 CG TYR B 33 -4.585 6.127 2.724 1.00 31.12 C ATOM 1520 CD1 TYR B 33 -3.399 5.404 2.769 1.00 13.35 C ATOM 1521 CD2 TYR B 33 -4.508 7.478 2.380 1.00 55.23 C ATOM 1522 CE1 TYR B 33 -2.193 5.987 2.493 1.00 62.12 C ATOM 1523 CE2 TYR B 33 -3.300 8.067 2.088 1.00 15.10 C ATOM 1524 CZ TYR B 33 -2.144 7.322 2.147 1.00 0.11 C ATOM 1525 OH TYR B 33 -0.936 7.920 1.882 1.00 73.00 O ATOM 0 H TYR B 33 -6.995 5.478 0.847 1.00 3.12 H new ATOM 0 HA TYR B 33 -5.300 3.607 2.109 1.00 60.13 H new ATOM 0 HB2 TYR B 33 -6.722 6.160 2.947 1.00 1.01 H new ATOM 0 HB3 TYR B 33 -5.892 5.207 4.161 1.00 1.01 H new ATOM 0 HD1 TYR B 33 -3.430 4.356 3.028 1.00 13.35 H new ATOM 0 HD2 TYR B 33 -5.411 8.070 2.343 1.00 55.23 H new ATOM 0 HE1 TYR B 33 -1.284 5.406 2.546 1.00 62.12 H new ATOM 0 HE2 TYR B 33 -3.258 9.111 1.813 1.00 15.10 H new ATOM 0 HH TYR B 33 -0.717 7.809 0.933 1.00 73.00 H new ATOM 1535 N SER B 34 -8.469 3.446 3.007 1.00 2.31 N ATOM 1536 CA SER B 34 -9.477 2.581 3.657 1.00 2.12 C ATOM 1537 C SER B 34 -9.433 1.170 3.053 1.00 14.34 C ATOM 1538 O SER B 34 -9.406 0.185 3.784 1.00 52.43 O ATOM 1539 CB SER B 34 -10.900 3.173 3.515 1.00 65.35 C ATOM 1540 OG SER B 34 -11.886 2.358 4.155 1.00 34.51 O ATOM 0 H SER B 34 -8.870 4.211 2.465 1.00 2.31 H new ATOM 0 HA SER B 34 -9.237 2.525 4.719 1.00 2.12 H new ATOM 0 HB2 SER B 34 -10.921 4.174 3.947 1.00 65.35 H new ATOM 0 HB3 SER B 34 -11.146 3.277 2.458 1.00 65.35 H new ATOM 0 HG SER B 34 -12.770 2.766 4.044 1.00 34.51 H new ATOM 1546 N ARG B 35 -9.378 1.108 1.707 1.00 61.10 N ATOM 1547 CA ARG B 35 -9.324 -0.151 0.945 1.00 22.33 C ATOM 1548 C ARG B 35 -8.003 -0.939 1.206 1.00 11.14 C ATOM 1549 O ARG B 35 -7.968 -2.169 1.077 1.00 13.42 O ATOM 1550 CB ARG B 35 -9.537 0.151 -0.555 1.00 34.32 C ATOM 1551 CG ARG B 35 -10.026 -1.071 -1.349 1.00 53.31 C ATOM 1552 CD ARG B 35 -10.657 -0.707 -2.693 1.00 75.44 C ATOM 1553 NE ARG B 35 -9.680 -0.222 -3.684 1.00 4.44 N ATOM 1554 CZ ARG B 35 -9.890 0.718 -4.579 1.00 63.05 C ATOM 1555 NH1 ARG B 35 -10.985 1.399 -4.601 1.00 65.43 N ATOM 1556 NH2 ARG B 35 -8.974 0.980 -5.449 1.00 73.14 N ATOM 0 H ARG B 35 -9.370 1.939 1.116 1.00 61.10 H new ATOM 0 HA ARG B 35 -10.128 -0.803 1.287 1.00 22.33 H new ATOM 0 HB2 ARG B 35 -10.262 0.959 -0.658 1.00 34.32 H new ATOM 0 HB3 ARG B 35 -8.601 0.506 -0.985 1.00 34.32 H new ATOM 0 HG2 ARG B 35 -9.186 -1.744 -1.521 1.00 53.31 H new ATOM 0 HG3 ARG B 35 -10.754 -1.617 -0.750 1.00 53.31 H new ATOM 0 HD2 ARG B 35 -11.168 -1.582 -3.095 1.00 75.44 H new ATOM 0 HD3 ARG B 35 -11.415 0.060 -2.535 1.00 75.44 H new ATOM 0 HE ARG B 35 -8.757 -0.655 -3.675 1.00 4.44 H new ATOM 0 HH11 ARG B 35 -11.715 1.214 -3.913 1.00 65.43 H new ATOM 0 HH12 ARG B 35 -11.121 2.123 -5.307 1.00 65.43 H new ATOM 0 HH21 ARG B 35 -8.097 0.460 -5.438 1.00 73.14 H new ATOM 0 HH22 ARG B 35 -9.127 1.707 -6.148 1.00 73.14 H new ATOM 1570 N LEU B 36 -6.931 -0.211 1.583 1.00 73.12 N ATOM 1571 CA LEU B 36 -5.689 -0.820 2.118 1.00 2.54 C ATOM 1572 C LEU B 36 -5.955 -1.482 3.497 1.00 75.55 C ATOM 1573 O LEU B 36 -5.654 -2.663 3.681 1.00 73.45 O ATOM 1574 CB LEU B 36 -4.560 0.248 2.240 1.00 54.33 C ATOM 1575 CG LEU B 36 -3.981 0.803 0.895 1.00 73.43 C ATOM 1576 CD1 LEU B 36 -2.974 1.953 1.139 1.00 74.40 C ATOM 1577 CD2 LEU B 36 -3.334 -0.327 0.053 1.00 23.25 C ATOM 0 H LEU B 36 -6.899 0.807 1.527 1.00 73.12 H new ATOM 0 HA LEU B 36 -5.361 -1.591 1.420 1.00 2.54 H new ATOM 0 HB2 LEU B 36 -4.945 1.088 2.819 1.00 54.33 H new ATOM 0 HB3 LEU B 36 -3.740 -0.185 2.813 1.00 54.33 H new ATOM 0 HG LEU B 36 -4.818 1.211 0.328 1.00 73.43 H new ATOM 0 HD11 LEU B 36 -2.594 2.312 0.183 1.00 74.40 H new ATOM 0 HD12 LEU B 36 -3.473 2.769 1.661 1.00 74.40 H new ATOM 0 HD13 LEU B 36 -2.145 1.588 1.745 1.00 74.40 H new ATOM 0 HD21 LEU B 36 -2.941 0.090 -0.875 1.00 23.25 H new ATOM 0 HD22 LEU B 36 -2.521 -0.783 0.619 1.00 23.25 H new ATOM 0 HD23 LEU B 36 -4.084 -1.084 -0.178 1.00 23.25 H new ATOM 1589 N ARG B 37 -6.571 -0.708 4.433 1.00 41.23 N ATOM 1590 CA ARG B 37 -6.898 -1.169 5.817 1.00 30.10 C ATOM 1591 C ARG B 37 -7.774 -2.457 5.836 1.00 62.23 C ATOM 1592 O ARG B 37 -7.635 -3.290 6.738 1.00 60.35 O ATOM 1593 CB ARG B 37 -7.621 -0.050 6.616 1.00 40.21 C ATOM 1594 CG ARG B 37 -6.754 1.192 6.941 1.00 42.23 C ATOM 1595 CD ARG B 37 -7.550 2.260 7.715 1.00 34.43 C ATOM 1596 NE ARG B 37 -6.732 3.436 8.073 1.00 4.53 N ATOM 1597 CZ ARG B 37 -7.194 4.584 8.543 1.00 61.20 C ATOM 1598 NH1 ARG B 37 -8.464 4.801 8.705 1.00 54.33 N ATOM 1599 NH2 ARG B 37 -6.365 5.519 8.866 1.00 52.20 N ATOM 0 H ARG B 37 -6.856 0.254 4.251 1.00 41.23 H new ATOM 0 HA ARG B 37 -5.944 -1.407 6.288 1.00 30.10 H new ATOM 0 HB2 ARG B 37 -8.494 0.274 6.049 1.00 40.21 H new ATOM 0 HB3 ARG B 37 -7.988 -0.472 7.551 1.00 40.21 H new ATOM 0 HG2 ARG B 37 -5.888 0.887 7.529 1.00 42.23 H new ATOM 0 HG3 ARG B 37 -6.374 1.623 6.014 1.00 42.23 H new ATOM 0 HD2 ARG B 37 -8.398 2.583 7.111 1.00 34.43 H new ATOM 0 HD3 ARG B 37 -7.957 1.816 8.624 1.00 34.43 H new ATOM 0 HE ARG B 37 -5.723 3.357 7.947 1.00 4.53 H new ATOM 0 HH11 ARG B 37 -9.140 4.075 8.468 1.00 54.33 H new ATOM 0 HH12 ARG B 37 -8.786 5.698 9.070 1.00 54.33 H new ATOM 0 HH21 ARG B 37 -5.362 5.371 8.758 1.00 52.20 H new ATOM 0 HH22 ARG B 37 -6.713 6.406 9.229 1.00 52.20 H new ATOM 1613 N GLU B 38 -8.651 -2.601 4.813 1.00 73.20 N ATOM 1614 CA GLU B 38 -9.558 -3.773 4.661 1.00 22.42 C ATOM 1615 C GLU B 38 -8.746 -5.095 4.550 1.00 41.03 C ATOM 1616 O GLU B 38 -9.152 -6.142 5.061 1.00 32.14 O ATOM 1617 CB GLU B 38 -10.442 -3.639 3.374 1.00 14.34 C ATOM 1618 CG GLU B 38 -11.238 -2.327 3.199 1.00 74.32 C ATOM 1619 CD GLU B 38 -12.249 -2.025 4.316 1.00 64.21 C ATOM 1620 OE1 GLU B 38 -13.289 -2.719 4.383 1.00 70.54 O ATOM 1621 OE2 GLU B 38 -12.028 -1.082 5.116 1.00 4.10 O ATOM 0 H GLU B 38 -8.752 -1.911 4.069 1.00 73.20 H new ATOM 0 HA GLU B 38 -10.193 -3.798 5.547 1.00 22.42 H new ATOM 0 HB2 GLU B 38 -9.795 -3.760 2.505 1.00 14.34 H new ATOM 0 HB3 GLU B 38 -11.150 -4.468 3.362 1.00 14.34 H new ATOM 0 HG2 GLU B 38 -10.533 -1.498 3.134 1.00 74.32 H new ATOM 0 HG3 GLU B 38 -11.771 -2.367 2.249 1.00 74.32 H new ATOM 1628 N LEU B 39 -7.594 -5.009 3.859 1.00 15.31 N ATOM 1629 CA LEU B 39 -6.745 -6.173 3.523 1.00 60.45 C ATOM 1630 C LEU B 39 -5.599 -6.389 4.541 1.00 50.51 C ATOM 1631 O LEU B 39 -4.854 -7.365 4.425 1.00 1.33 O ATOM 1632 CB LEU B 39 -6.182 -5.987 2.083 1.00 35.34 C ATOM 1633 CG LEU B 39 -7.259 -5.855 0.951 1.00 42.24 C ATOM 1634 CD1 LEU B 39 -6.616 -5.535 -0.418 1.00 15.14 C ATOM 1635 CD2 LEU B 39 -8.141 -7.129 0.869 1.00 44.01 C ATOM 0 H LEU B 39 -7.221 -4.124 3.514 1.00 15.31 H new ATOM 0 HA LEU B 39 -7.363 -7.070 3.570 1.00 60.45 H new ATOM 0 HB2 LEU B 39 -5.554 -5.096 2.069 1.00 35.34 H new ATOM 0 HB3 LEU B 39 -5.538 -6.835 1.851 1.00 35.34 H new ATOM 0 HG LEU B 39 -7.902 -5.014 1.212 1.00 42.24 H new ATOM 0 HD11 LEU B 39 -7.395 -5.452 -1.175 1.00 15.14 H new ATOM 0 HD12 LEU B 39 -6.071 -4.593 -0.353 1.00 15.14 H new ATOM 0 HD13 LEU B 39 -5.928 -6.334 -0.692 1.00 15.14 H new ATOM 0 HD21 LEU B 39 -8.879 -7.010 0.076 1.00 44.01 H new ATOM 0 HD22 LEU B 39 -7.513 -7.993 0.653 1.00 44.01 H new ATOM 0 HD23 LEU B 39 -8.652 -7.280 1.820 1.00 44.01 H new ATOM 1647 N VAL B 40 -5.465 -5.491 5.543 1.00 31.11 N ATOM 1648 CA VAL B 40 -4.401 -5.588 6.576 1.00 41.05 C ATOM 1649 C VAL B 40 -4.966 -6.176 7.901 1.00 35.45 C ATOM 1650 O VAL B 40 -5.671 -5.479 8.630 1.00 35.51 O ATOM 1651 CB VAL B 40 -3.725 -4.184 6.862 1.00 1.20 C ATOM 1652 CG1 VAL B 40 -2.556 -4.308 7.874 1.00 74.02 C ATOM 1653 CG2 VAL B 40 -3.243 -3.517 5.556 1.00 44.41 C ATOM 0 H VAL B 40 -6.081 -4.687 5.661 1.00 31.11 H new ATOM 0 HA VAL B 40 -3.638 -6.259 6.182 1.00 41.05 H new ATOM 0 HB VAL B 40 -4.488 -3.546 7.309 1.00 1.20 H new ATOM 0 HG11 VAL B 40 -2.117 -3.325 8.045 1.00 74.02 H new ATOM 0 HG12 VAL B 40 -2.931 -4.707 8.816 1.00 74.02 H new ATOM 0 HG13 VAL B 40 -1.797 -4.979 7.473 1.00 74.02 H new ATOM 0 HG21 VAL B 40 -2.784 -2.556 5.786 1.00 44.41 H new ATOM 0 HG22 VAL B 40 -2.512 -4.161 5.067 1.00 44.41 H new ATOM 0 HG23 VAL B 40 -4.093 -3.363 4.891 1.00 44.41 H new ATOM 1663 N PRO B 41 -4.651 -7.472 8.250 1.00 4.12 N ATOM 1664 CA PRO B 41 -5.066 -8.101 9.538 1.00 21.53 C ATOM 1665 C PRO B 41 -4.107 -7.766 10.719 1.00 12.24 C ATOM 1666 O PRO B 41 -4.172 -8.408 11.779 1.00 11.10 O ATOM 1667 CB PRO B 41 -5.057 -9.634 9.202 1.00 34.51 C ATOM 1668 CG PRO B 41 -4.609 -9.739 7.758 1.00 62.42 C ATOM 1669 CD PRO B 41 -3.897 -8.447 7.436 1.00 55.35 C ATOM 0 HA PRO B 41 -6.034 -7.735 9.881 1.00 21.53 H new ATOM 0 HB2 PRO B 41 -4.379 -10.175 9.862 1.00 34.51 H new ATOM 0 HB3 PRO B 41 -6.047 -10.069 9.337 1.00 34.51 H new ATOM 0 HG2 PRO B 41 -3.946 -10.593 7.618 1.00 62.42 H new ATOM 0 HG3 PRO B 41 -5.463 -9.887 7.097 1.00 62.42 H new ATOM 0 HD2 PRO B 41 -2.843 -8.482 7.713 1.00 55.35 H new ATOM 0 HD3 PRO B 41 -3.940 -8.211 6.373 1.00 55.35 H new ATOM 1677 N GLY B 42 -3.226 -6.765 10.512 1.00 1.02 N ATOM 1678 CA GLY B 42 -2.271 -6.302 11.533 1.00 43.22 C ATOM 1679 C GLY B 42 -2.753 -5.092 12.344 1.00 61.13 C ATOM 1680 O GLY B 42 -2.172 -4.770 13.386 1.00 34.30 O ATOM 0 H GLY B 42 -3.159 -6.256 9.630 1.00 1.02 H new ATOM 0 HA2 GLY B 42 -2.062 -7.124 12.218 1.00 43.22 H new ATOM 0 HA3 GLY B 42 -1.330 -6.047 11.045 1.00 43.22 H new ATOM 1684 N VAL B 43 -3.803 -4.408 11.850 1.00 31.33 N ATOM 1685 CA VAL B 43 -4.425 -3.254 12.545 1.00 42.03 C ATOM 1686 C VAL B 43 -5.427 -3.734 13.639 1.00 33.55 C ATOM 1687 O VAL B 43 -6.248 -4.615 13.365 1.00 22.24 O ATOM 1688 CB VAL B 43 -5.182 -2.322 11.519 1.00 72.14 C ATOM 1689 CG1 VAL B 43 -5.883 -1.127 12.217 1.00 62.23 C ATOM 1690 CG2 VAL B 43 -4.231 -1.842 10.396 1.00 52.55 C ATOM 0 H VAL B 43 -4.246 -4.636 10.960 1.00 31.33 H new ATOM 0 HA VAL B 43 -3.623 -2.689 13.020 1.00 42.03 H new ATOM 0 HB VAL B 43 -5.968 -2.922 11.061 1.00 72.14 H new ATOM 0 HG11 VAL B 43 -6.389 -0.516 11.470 1.00 62.23 H new ATOM 0 HG12 VAL B 43 -6.613 -1.502 12.935 1.00 62.23 H new ATOM 0 HG13 VAL B 43 -5.140 -0.523 12.737 1.00 62.23 H new ATOM 0 HG21 VAL B 43 -4.779 -1.202 9.704 1.00 52.55 H new ATOM 0 HG22 VAL B 43 -3.406 -1.280 10.834 1.00 52.55 H new ATOM 0 HG23 VAL B 43 -3.838 -2.705 9.858 1.00 52.55 H new ATOM 1700 N PRO B 44 -5.352 -3.183 14.906 1.00 14.13 N ATOM 1701 CA PRO B 44 -6.356 -3.460 15.976 1.00 20.31 C ATOM 1702 C PRO B 44 -7.832 -3.219 15.533 1.00 12.52 C ATOM 1703 O PRO B 44 -8.592 -4.177 15.372 1.00 1.14 O ATOM 1704 CB PRO B 44 -5.938 -2.490 17.121 1.00 75.21 C ATOM 1705 CG PRO B 44 -4.467 -2.287 16.920 1.00 74.34 C ATOM 1706 CD PRO B 44 -4.251 -2.315 15.418 1.00 23.14 C ATOM 0 HA PRO B 44 -6.350 -4.511 16.266 1.00 20.31 H new ATOM 0 HB2 PRO B 44 -6.481 -1.547 17.061 1.00 75.21 H new ATOM 0 HB3 PRO B 44 -6.150 -2.918 18.101 1.00 75.21 H new ATOM 0 HG2 PRO B 44 -4.141 -1.338 17.345 1.00 74.34 H new ATOM 0 HG3 PRO B 44 -3.892 -3.071 17.413 1.00 74.34 H new ATOM 0 HD2 PRO B 44 -4.301 -1.314 14.990 1.00 23.14 H new ATOM 0 HD3 PRO B 44 -3.272 -2.722 15.164 1.00 23.14 H new ATOM 1714 N ARG B 45 -8.196 -1.925 15.313 1.00 34.54 N ATOM 1715 CA ARG B 45 -9.572 -1.502 14.951 1.00 34.53 C ATOM 1716 C ARG B 45 -9.610 0.034 14.758 1.00 14.32 C ATOM 1717 O ARG B 45 -9.591 0.535 13.629 1.00 51.11 O ATOM 1718 CB ARG B 45 -10.598 -1.943 16.051 1.00 10.33 C ATOM 1719 CG ARG B 45 -12.083 -1.618 15.752 1.00 54.14 C ATOM 1720 CD ARG B 45 -13.008 -2.060 16.901 1.00 1.11 C ATOM 1721 NE ARG B 45 -14.425 -1.781 16.641 1.00 15.24 N ATOM 1722 CZ ARG B 45 -15.417 -2.082 17.452 1.00 10.33 C ATOM 1723 NH1 ARG B 45 -15.212 -2.693 18.580 1.00 4.21 N ATOM 1724 NH2 ARG B 45 -16.626 -1.780 17.115 1.00 21.23 N ATOM 0 H ARG B 45 -7.540 -1.147 15.383 1.00 34.54 H new ATOM 0 HA ARG B 45 -9.854 -1.987 14.016 1.00 34.53 H new ATOM 0 HB2 ARG B 45 -10.503 -3.019 16.200 1.00 10.33 H new ATOM 0 HB3 ARG B 45 -10.323 -1.465 16.991 1.00 10.33 H new ATOM 0 HG2 ARG B 45 -12.194 -0.546 15.588 1.00 54.14 H new ATOM 0 HG3 ARG B 45 -12.385 -2.115 14.830 1.00 54.14 H new ATOM 0 HD2 ARG B 45 -12.880 -3.129 17.071 1.00 1.11 H new ATOM 0 HD3 ARG B 45 -12.706 -1.553 17.817 1.00 1.11 H new ATOM 0 HE ARG B 45 -14.660 -1.318 15.763 1.00 15.24 H new ATOM 0 HH11 ARG B 45 -14.264 -2.951 18.855 1.00 4.21 H new ATOM 0 HH12 ARG B 45 -15.999 -2.915 19.190 1.00 4.21 H new ATOM 0 HH21 ARG B 45 -16.806 -1.312 16.227 1.00 21.23 H new ATOM 0 HH22 ARG B 45 -17.401 -2.009 17.737 1.00 21.23 H new ATOM 1738 N GLY B 46 -9.614 0.773 15.891 1.00 34.21 N ATOM 1739 CA GLY B 46 -9.638 2.240 15.895 1.00 52.52 C ATOM 1740 C GLY B 46 -8.401 2.818 16.576 1.00 44.23 C ATOM 1741 O GLY B 46 -8.488 3.427 17.646 1.00 1.50 O ATOM 0 H GLY B 46 -9.601 0.362 16.824 1.00 34.21 H new ATOM 0 HA2 GLY B 46 -9.695 2.607 14.870 1.00 52.52 H new ATOM 0 HA3 GLY B 46 -10.534 2.589 16.409 1.00 52.52 H new ATOM 1745 N THR B 47 -7.235 2.597 15.955 1.00 11.41 N ATOM 1746 CA THR B 47 -5.923 3.063 16.476 1.00 12.44 C ATOM 1747 C THR B 47 -5.434 4.323 15.711 1.00 4.20 C ATOM 1748 O THR B 47 -6.039 4.717 14.716 1.00 4.24 O ATOM 1749 CB THR B 47 -4.861 1.911 16.371 1.00 71.25 C ATOM 1750 OG1 THR B 47 -3.621 2.305 16.987 1.00 43.33 O ATOM 1751 CG2 THR B 47 -4.615 1.485 14.915 1.00 70.25 C ATOM 0 H THR B 47 -7.164 2.089 15.073 1.00 11.41 H new ATOM 0 HA THR B 47 -6.048 3.335 17.524 1.00 12.44 H new ATOM 0 HB THR B 47 -5.267 1.051 16.904 1.00 71.25 H new ATOM 0 HG1 THR B 47 -2.972 1.574 16.913 1.00 43.33 H new ATOM 0 HG21 THR B 47 -3.874 0.686 14.890 1.00 70.25 H new ATOM 0 HG22 THR B 47 -5.548 1.128 14.478 1.00 70.25 H new ATOM 0 HG23 THR B 47 -4.249 2.338 14.343 1.00 70.25 H new ATOM 1759 N GLN B 48 -4.343 4.948 16.184 1.00 33.30 N ATOM 1760 CA GLN B 48 -3.763 6.161 15.555 1.00 74.10 C ATOM 1761 C GLN B 48 -3.024 5.803 14.242 1.00 22.25 C ATOM 1762 O GLN B 48 -1.853 5.413 14.261 1.00 52.24 O ATOM 1763 CB GLN B 48 -2.804 6.899 16.552 1.00 71.31 C ATOM 1764 CG GLN B 48 -3.501 7.653 17.717 1.00 1.34 C ATOM 1765 CD GLN B 48 -4.298 6.770 18.696 1.00 53.42 C ATOM 1766 OE1 GLN B 48 -3.976 5.608 18.925 1.00 52.24 O ATOM 1767 NE2 GLN B 48 -5.348 7.315 19.277 1.00 73.25 N ATOM 0 H GLN B 48 -3.835 4.633 17.010 1.00 33.30 H new ATOM 0 HA GLN B 48 -4.581 6.838 15.307 1.00 74.10 H new ATOM 0 HB2 GLN B 48 -2.116 6.167 16.976 1.00 71.31 H new ATOM 0 HB3 GLN B 48 -2.203 7.613 15.989 1.00 71.31 H new ATOM 0 HG2 GLN B 48 -2.742 8.196 18.280 1.00 1.34 H new ATOM 0 HG3 GLN B 48 -4.176 8.396 17.293 1.00 1.34 H new ATOM 0 HE21 GLN B 48 -5.599 8.282 19.073 1.00 73.25 H new ATOM 0 HE22 GLN B 48 -5.910 6.769 19.931 1.00 73.25 H new ATOM 1776 N LEU B 49 -3.746 5.889 13.110 1.00 34.11 N ATOM 1777 CA LEU B 49 -3.179 5.650 11.761 1.00 31.23 C ATOM 1778 C LEU B 49 -3.194 6.940 10.926 1.00 41.34 C ATOM 1779 O LEU B 49 -4.253 7.357 10.426 1.00 13.11 O ATOM 1780 CB LEU B 49 -3.951 4.531 10.996 1.00 12.32 C ATOM 1781 CG LEU B 49 -3.908 3.103 11.616 1.00 34.32 C ATOM 1782 CD1 LEU B 49 -4.694 2.083 10.758 1.00 64.41 C ATOM 1783 CD2 LEU B 49 -2.456 2.632 11.838 1.00 61.22 C ATOM 0 H LEU B 49 -4.738 6.126 13.100 1.00 34.11 H new ATOM 0 HA LEU B 49 -2.150 5.321 11.905 1.00 31.23 H new ATOM 0 HB2 LEU B 49 -4.995 4.834 10.912 1.00 12.32 H new ATOM 0 HB3 LEU B 49 -3.553 4.474 9.983 1.00 12.32 H new ATOM 0 HG LEU B 49 -4.396 3.160 12.589 1.00 34.32 H new ATOM 0 HD11 LEU B 49 -4.641 1.099 11.223 1.00 64.41 H new ATOM 0 HD12 LEU B 49 -5.736 2.394 10.686 1.00 64.41 H new ATOM 0 HD13 LEU B 49 -4.260 2.036 9.759 1.00 64.41 H new ATOM 0 HD21 LEU B 49 -2.460 1.632 12.272 1.00 61.22 H new ATOM 0 HD22 LEU B 49 -1.930 2.611 10.883 1.00 61.22 H new ATOM 0 HD23 LEU B 49 -1.950 3.319 12.516 1.00 61.22 H new ATOM 1795 N SER B 50 -2.023 7.578 10.796 1.00 42.04 N ATOM 1796 CA SER B 50 -1.805 8.642 9.797 1.00 73.14 C ATOM 1797 C SER B 50 -1.759 8.033 8.384 1.00 65.32 C ATOM 1798 O SER B 50 -1.574 6.818 8.226 1.00 33.43 O ATOM 1799 CB SER B 50 -0.476 9.388 10.059 1.00 42.20 C ATOM 1800 OG SER B 50 0.655 8.565 9.799 1.00 43.40 O ATOM 0 H SER B 50 -1.206 7.377 11.372 1.00 42.04 H new ATOM 0 HA SER B 50 -2.631 9.349 9.877 1.00 73.14 H new ATOM 0 HB2 SER B 50 -0.429 10.278 9.431 1.00 42.20 H new ATOM 0 HB3 SER B 50 -0.448 9.727 11.095 1.00 42.20 H new ATOM 0 HG SER B 50 1.475 9.072 9.974 1.00 43.40 H new ATOM 1806 N GLN B 51 -1.887 8.892 7.363 1.00 4.14 N ATOM 1807 CA GLN B 51 -1.711 8.495 5.948 1.00 31.51 C ATOM 1808 C GLN B 51 -0.323 7.832 5.706 1.00 32.14 C ATOM 1809 O GLN B 51 -0.174 6.960 4.845 1.00 2.05 O ATOM 1810 CB GLN B 51 -1.893 9.740 5.039 1.00 55.53 C ATOM 1811 CG GLN B 51 -3.305 10.362 5.084 1.00 0.35 C ATOM 1812 CD GLN B 51 -3.444 11.602 4.192 1.00 53.22 C ATOM 1813 OE1 GLN B 51 -3.215 12.722 4.629 1.00 62.13 O ATOM 1814 NE2 GLN B 51 -3.812 11.407 2.936 1.00 10.21 N ATOM 0 H GLN B 51 -2.114 9.879 7.488 1.00 4.14 H new ATOM 0 HA GLN B 51 -2.468 7.751 5.700 1.00 31.51 H new ATOM 0 HB2 GLN B 51 -1.166 10.498 5.332 1.00 55.53 H new ATOM 0 HB3 GLN B 51 -1.665 9.460 4.010 1.00 55.53 H new ATOM 0 HG2 GLN B 51 -4.035 9.615 4.773 1.00 0.35 H new ATOM 0 HG3 GLN B 51 -3.544 10.633 6.112 1.00 0.35 H new ATOM 0 HE21 GLN B 51 -3.996 10.462 2.599 1.00 10.21 H new ATOM 0 HE22 GLN B 51 -3.911 12.202 2.304 1.00 10.21 H new ATOM 1823 N VAL B 52 0.678 8.245 6.512 1.00 34.23 N ATOM 1824 CA VAL B 52 2.054 7.717 6.455 1.00 61.13 C ATOM 1825 C VAL B 52 2.156 6.273 7.019 1.00 5.24 C ATOM 1826 O VAL B 52 2.692 5.386 6.352 1.00 31.13 O ATOM 1827 CB VAL B 52 3.044 8.651 7.247 1.00 63.34 C ATOM 1828 CG1 VAL B 52 4.501 8.165 7.112 1.00 24.03 C ATOM 1829 CG2 VAL B 52 2.906 10.124 6.799 1.00 31.21 C ATOM 0 H VAL B 52 0.550 8.961 7.227 1.00 34.23 H new ATOM 0 HA VAL B 52 2.332 7.692 5.401 1.00 61.13 H new ATOM 0 HB VAL B 52 2.772 8.598 8.301 1.00 63.34 H new ATOM 0 HG11 VAL B 52 5.160 8.831 7.670 1.00 24.03 H new ATOM 0 HG12 VAL B 52 4.586 7.154 7.510 1.00 24.03 H new ATOM 0 HG13 VAL B 52 4.789 8.167 6.061 1.00 24.03 H new ATOM 0 HG21 VAL B 52 3.603 10.743 7.364 1.00 31.21 H new ATOM 0 HG22 VAL B 52 3.131 10.203 5.735 1.00 31.21 H new ATOM 0 HG23 VAL B 52 1.887 10.466 6.981 1.00 31.21 H new ATOM 1839 N GLU B 53 1.634 6.050 8.253 1.00 45.40 N ATOM 1840 CA GLU B 53 1.786 4.759 8.958 1.00 14.41 C ATOM 1841 C GLU B 53 1.010 3.615 8.261 1.00 72.42 C ATOM 1842 O GLU B 53 1.388 2.441 8.372 1.00 2.20 O ATOM 1843 CB GLU B 53 1.369 4.882 10.446 1.00 23.00 C ATOM 1844 CG GLU B 53 1.815 3.672 11.288 1.00 70.34 C ATOM 1845 CD GLU B 53 1.536 3.800 12.790 1.00 2.13 C ATOM 1846 OE1 GLU B 53 2.312 4.472 13.495 1.00 51.41 O ATOM 1847 OE2 GLU B 53 0.570 3.198 13.285 1.00 44.03 O ATOM 0 H GLU B 53 1.106 6.749 8.776 1.00 45.40 H new ATOM 0 HA GLU B 53 2.844 4.500 8.918 1.00 14.41 H new ATOM 0 HB2 GLU B 53 1.800 5.791 10.866 1.00 23.00 H new ATOM 0 HB3 GLU B 53 0.286 4.984 10.509 1.00 23.00 H new ATOM 0 HG2 GLU B 53 1.312 2.781 10.913 1.00 70.34 H new ATOM 0 HG3 GLU B 53 2.884 3.519 11.142 1.00 70.34 H new ATOM 1854 N ILE B 54 -0.071 3.970 7.539 1.00 73.33 N ATOM 1855 CA ILE B 54 -0.792 3.018 6.670 1.00 44.21 C ATOM 1856 C ILE B 54 0.163 2.428 5.602 1.00 50.01 C ATOM 1857 O ILE B 54 0.258 1.215 5.471 1.00 22.00 O ATOM 1858 CB ILE B 54 -2.024 3.691 5.967 1.00 24.42 C ATOM 1859 CG1 ILE B 54 -3.051 4.210 7.023 1.00 73.43 C ATOM 1860 CG2 ILE B 54 -2.700 2.724 4.957 1.00 53.13 C ATOM 1861 CD1 ILE B 54 -4.203 5.004 6.440 1.00 24.05 C ATOM 0 H ILE B 54 -0.465 4.911 7.540 1.00 73.33 H new ATOM 0 HA ILE B 54 -1.163 2.215 7.306 1.00 44.21 H new ATOM 0 HB ILE B 54 -1.657 4.548 5.402 1.00 24.42 H new ATOM 0 HG12 ILE B 54 -3.454 3.357 7.570 1.00 73.43 H new ATOM 0 HG13 ILE B 54 -2.526 4.833 7.747 1.00 73.43 H new ATOM 0 HG21 ILE B 54 -3.549 3.222 4.489 1.00 53.13 H new ATOM 0 HG22 ILE B 54 -1.980 2.437 4.191 1.00 53.13 H new ATOM 0 HG23 ILE B 54 -3.046 1.834 5.482 1.00 53.13 H new ATOM 0 HD11 ILE B 54 -4.867 5.325 7.243 1.00 24.05 H new ATOM 0 HD12 ILE B 54 -3.815 5.879 5.918 1.00 24.05 H new ATOM 0 HD13 ILE B 54 -4.757 4.380 5.739 1.00 24.05 H new ATOM 1873 N LEU B 55 0.896 3.317 4.894 1.00 12.10 N ATOM 1874 CA LEU B 55 1.894 2.929 3.863 1.00 74.33 C ATOM 1875 C LEU B 55 2.931 1.934 4.419 1.00 13.34 C ATOM 1876 O LEU B 55 3.189 0.891 3.817 1.00 62.34 O ATOM 1877 CB LEU B 55 2.642 4.183 3.347 1.00 75.43 C ATOM 1878 CG LEU B 55 1.777 5.287 2.683 1.00 53.32 C ATOM 1879 CD1 LEU B 55 2.620 6.541 2.358 1.00 44.11 C ATOM 1880 CD2 LEU B 55 1.075 4.744 1.426 1.00 54.21 C ATOM 0 H LEU B 55 0.814 4.326 5.019 1.00 12.10 H new ATOM 0 HA LEU B 55 1.348 2.450 3.050 1.00 74.33 H new ATOM 0 HB2 LEU B 55 3.177 4.629 4.185 1.00 75.43 H new ATOM 0 HB3 LEU B 55 3.392 3.859 2.626 1.00 75.43 H new ATOM 0 HG LEU B 55 1.009 5.588 3.395 1.00 53.32 H new ATOM 0 HD11 LEU B 55 1.985 7.296 1.894 1.00 44.11 H new ATOM 0 HD12 LEU B 55 3.046 6.941 3.278 1.00 44.11 H new ATOM 0 HD13 LEU B 55 3.424 6.272 1.673 1.00 44.11 H new ATOM 0 HD21 LEU B 55 0.474 5.534 0.975 1.00 54.21 H new ATOM 0 HD22 LEU B 55 1.823 4.404 0.710 1.00 54.21 H new ATOM 0 HD23 LEU B 55 0.430 3.909 1.701 1.00 54.21 H new ATOM 1892 N GLN B 56 3.480 2.281 5.595 1.00 15.22 N ATOM 1893 CA GLN B 56 4.525 1.500 6.287 1.00 64.23 C ATOM 1894 C GLN B 56 4.022 0.082 6.662 1.00 25.33 C ATOM 1895 O GLN B 56 4.715 -0.907 6.430 1.00 34.04 O ATOM 1896 CB GLN B 56 4.981 2.271 7.556 1.00 1.55 C ATOM 1897 CG GLN B 56 5.467 3.710 7.273 1.00 10.21 C ATOM 1898 CD GLN B 56 5.822 4.519 8.529 1.00 41.24 C ATOM 1899 OE1 GLN B 56 5.278 4.306 9.607 1.00 51.35 O ATOM 1900 NE2 GLN B 56 6.721 5.475 8.391 1.00 73.32 N ATOM 0 H GLN B 56 3.208 3.124 6.101 1.00 15.22 H new ATOM 0 HA GLN B 56 5.371 1.373 5.611 1.00 64.23 H new ATOM 0 HB2 GLN B 56 4.152 2.310 8.263 1.00 1.55 H new ATOM 0 HB3 GLN B 56 5.785 1.715 8.038 1.00 1.55 H new ATOM 0 HG2 GLN B 56 6.343 3.664 6.626 1.00 10.21 H new ATOM 0 HG3 GLN B 56 4.691 4.241 6.721 1.00 10.21 H new ATOM 0 HE21 GLN B 56 7.161 5.634 7.485 1.00 73.32 H new ATOM 0 HE22 GLN B 56 6.976 6.055 9.191 1.00 73.32 H new ATOM 1909 N ARG B 57 2.791 0.013 7.212 1.00 30.44 N ATOM 1910 CA ARG B 57 2.162 -1.257 7.656 1.00 11.34 C ATOM 1911 C ARG B 57 1.660 -2.115 6.465 1.00 43.53 C ATOM 1912 O ARG B 57 1.558 -3.346 6.574 1.00 34.42 O ATOM 1913 CB ARG B 57 1.024 -0.945 8.665 1.00 64.15 C ATOM 1914 CG ARG B 57 0.337 -2.184 9.301 1.00 20.53 C ATOM 1915 CD ARG B 57 -0.351 -1.859 10.642 1.00 71.13 C ATOM 1916 NE ARG B 57 0.649 -1.532 11.689 1.00 4.23 N ATOM 1917 CZ ARG B 57 0.725 -0.406 12.367 1.00 60.55 C ATOM 1918 NH1 ARG B 57 -0.092 0.561 12.151 1.00 1.33 N ATOM 1919 NH2 ARG B 57 1.651 -0.252 13.258 1.00 14.03 N ATOM 0 H ARG B 57 2.203 0.833 7.362 1.00 30.44 H new ATOM 0 HA ARG B 57 2.921 -1.860 8.155 1.00 11.34 H new ATOM 0 HB2 ARG B 57 1.431 -0.326 9.465 1.00 64.15 H new ATOM 0 HB3 ARG B 57 0.264 -0.351 8.157 1.00 64.15 H new ATOM 0 HG2 ARG B 57 -0.402 -2.582 8.605 1.00 20.53 H new ATOM 0 HG3 ARG B 57 1.080 -2.966 9.458 1.00 20.53 H new ATOM 0 HD2 ARG B 57 -1.033 -1.019 10.510 1.00 71.13 H new ATOM 0 HD3 ARG B 57 -0.952 -2.710 10.962 1.00 71.13 H new ATOM 0 HE ARG B 57 1.343 -2.248 11.904 1.00 4.23 H new ATOM 0 HH11 ARG B 57 -0.819 0.466 11.442 1.00 1.33 H new ATOM 0 HH12 ARG B 57 -0.014 1.424 12.689 1.00 1.33 H new ATOM 0 HH21 ARG B 57 2.320 -1.002 13.433 1.00 14.03 H new ATOM 0 HH22 ARG B 57 1.712 0.619 13.785 1.00 14.03 H new ATOM 1933 N VAL B 58 1.365 -1.459 5.329 1.00 21.34 N ATOM 1934 CA VAL B 58 1.067 -2.157 4.058 1.00 71.33 C ATOM 1935 C VAL B 58 2.364 -2.787 3.491 1.00 23.33 C ATOM 1936 O VAL B 58 2.327 -3.901 2.983 1.00 31.05 O ATOM 1937 CB VAL B 58 0.377 -1.203 3.000 1.00 71.12 C ATOM 1938 CG1 VAL B 58 0.316 -1.833 1.582 1.00 64.14 C ATOM 1939 CG2 VAL B 58 -1.050 -0.812 3.466 1.00 42.41 C ATOM 0 H VAL B 58 1.326 -0.442 5.262 1.00 21.34 H new ATOM 0 HA VAL B 58 0.350 -2.951 4.267 1.00 71.33 H new ATOM 0 HB VAL B 58 0.996 -0.308 2.934 1.00 71.12 H new ATOM 0 HG11 VAL B 58 -0.166 -1.137 0.895 1.00 64.14 H new ATOM 0 HG12 VAL B 58 1.327 -2.044 1.234 1.00 64.14 H new ATOM 0 HG13 VAL B 58 -0.256 -2.760 1.620 1.00 64.14 H new ATOM 0 HG21 VAL B 58 -1.508 -0.156 2.725 1.00 42.41 H new ATOM 0 HG22 VAL B 58 -1.656 -1.711 3.578 1.00 42.41 H new ATOM 0 HG23 VAL B 58 -0.991 -0.293 4.423 1.00 42.41 H new ATOM 1949 N ILE B 59 3.514 -2.081 3.625 1.00 1.42 N ATOM 1950 CA ILE B 59 4.836 -2.650 3.260 1.00 50.11 C ATOM 1951 C ILE B 59 5.152 -3.880 4.146 1.00 50.30 C ATOM 1952 O ILE B 59 5.528 -4.919 3.622 1.00 5.22 O ATOM 1953 CB ILE B 59 6.013 -1.603 3.367 1.00 63.30 C ATOM 1954 CG1 ILE B 59 5.767 -0.387 2.418 1.00 34.21 C ATOM 1955 CG2 ILE B 59 7.380 -2.270 3.047 1.00 20.33 C ATOM 1956 CD1 ILE B 59 6.813 0.714 2.503 1.00 42.23 C ATOM 0 H ILE B 59 3.554 -1.125 3.980 1.00 1.42 H new ATOM 0 HA ILE B 59 4.766 -2.948 2.214 1.00 50.11 H new ATOM 0 HB ILE B 59 6.040 -1.238 4.394 1.00 63.30 H new ATOM 0 HG12 ILE B 59 5.725 -0.749 1.391 1.00 34.21 H new ATOM 0 HG13 ILE B 59 4.791 0.041 2.646 1.00 34.21 H new ATOM 0 HG21 ILE B 59 8.175 -1.528 3.127 1.00 20.33 H new ATOM 0 HG22 ILE B 59 7.565 -3.078 3.755 1.00 20.33 H new ATOM 0 HG23 ILE B 59 7.360 -2.672 2.034 1.00 20.33 H new ATOM 0 HD11 ILE B 59 6.557 1.514 1.808 1.00 42.23 H new ATOM 0 HD12 ILE B 59 6.842 1.110 3.518 1.00 42.23 H new ATOM 0 HD13 ILE B 59 7.791 0.308 2.244 1.00 42.23 H new ATOM 1968 N ASP B 60 4.956 -3.740 5.481 1.00 61.43 N ATOM 1969 CA ASP B 60 5.150 -4.844 6.469 1.00 0.41 C ATOM 1970 C ASP B 60 4.282 -6.082 6.125 1.00 73.30 C ATOM 1971 O ASP B 60 4.717 -7.236 6.257 1.00 71.31 O ATOM 1972 CB ASP B 60 4.814 -4.355 7.907 1.00 15.33 C ATOM 1973 CG ASP B 60 5.679 -3.179 8.391 1.00 31.21 C ATOM 1974 OD1 ASP B 60 6.891 -3.148 8.082 1.00 65.44 O ATOM 1975 OD2 ASP B 60 5.165 -2.301 9.125 1.00 12.42 O ATOM 0 H ASP B 60 4.659 -2.862 5.908 1.00 61.43 H new ATOM 0 HA ASP B 60 6.198 -5.139 6.421 1.00 0.41 H new ATOM 0 HB2 ASP B 60 3.766 -4.059 7.942 1.00 15.33 H new ATOM 0 HB3 ASP B 60 4.933 -5.188 8.599 1.00 15.33 H new ATOM 1980 N TYR B 61 3.052 -5.804 5.675 1.00 12.42 N ATOM 1981 CA TYR B 61 2.106 -6.817 5.176 1.00 55.34 C ATOM 1982 C TYR B 61 2.670 -7.560 3.934 1.00 30.41 C ATOM 1983 O TYR B 61 2.620 -8.790 3.851 1.00 53.51 O ATOM 1984 CB TYR B 61 0.768 -6.118 4.836 1.00 2.12 C ATOM 1985 CG TYR B 61 -0.280 -7.022 4.185 1.00 62.23 C ATOM 1986 CD1 TYR B 61 -1.000 -7.938 4.948 1.00 72.14 C ATOM 1987 CD2 TYR B 61 -0.547 -6.958 2.811 1.00 73.42 C ATOM 1988 CE1 TYR B 61 -1.936 -8.755 4.372 1.00 13.12 C ATOM 1989 CE2 TYR B 61 -1.487 -7.777 2.237 1.00 13.12 C ATOM 1990 CZ TYR B 61 -2.183 -8.668 3.022 1.00 44.12 C ATOM 1991 OH TYR B 61 -3.116 -9.485 2.458 1.00 72.43 O ATOM 0 H TYR B 61 2.678 -4.856 5.646 1.00 12.42 H new ATOM 0 HA TYR B 61 1.946 -7.568 5.949 1.00 55.34 H new ATOM 0 HB2 TYR B 61 0.349 -5.701 5.752 1.00 2.12 H new ATOM 0 HB3 TYR B 61 0.971 -5.281 4.168 1.00 2.12 H new ATOM 0 HD1 TYR B 61 -0.817 -8.005 6.010 1.00 72.14 H new ATOM 0 HD2 TYR B 61 -0.006 -6.255 2.195 1.00 73.42 H new ATOM 0 HE1 TYR B 61 -2.479 -9.466 4.977 1.00 13.12 H new ATOM 0 HE2 TYR B 61 -1.679 -7.723 1.176 1.00 13.12 H new ATOM 0 HH TYR B 61 -2.689 -10.053 1.783 1.00 72.43 H new ATOM 2001 N ILE B 62 3.204 -6.780 2.984 1.00 23.15 N ATOM 2002 CA ILE B 62 3.813 -7.313 1.749 1.00 61.05 C ATOM 2003 C ILE B 62 5.157 -8.054 2.057 1.00 13.32 C ATOM 2004 O ILE B 62 5.519 -8.990 1.352 1.00 33.42 O ATOM 2005 CB ILE B 62 4.019 -6.152 0.694 1.00 20.31 C ATOM 2006 CG1 ILE B 62 2.648 -5.477 0.335 1.00 61.24 C ATOM 2007 CG2 ILE B 62 4.711 -6.656 -0.590 1.00 32.51 C ATOM 2008 CD1 ILE B 62 2.758 -4.207 -0.507 1.00 40.44 C ATOM 0 H ILE B 62 3.228 -5.762 3.046 1.00 23.15 H new ATOM 0 HA ILE B 62 3.133 -8.047 1.316 1.00 61.05 H new ATOM 0 HB ILE B 62 4.671 -5.411 1.157 1.00 20.31 H new ATOM 0 HG12 ILE B 62 2.033 -6.200 -0.202 1.00 61.24 H new ATOM 0 HG13 ILE B 62 2.124 -5.238 1.260 1.00 61.24 H new ATOM 0 HG21 ILE B 62 4.833 -5.827 -1.287 1.00 32.51 H new ATOM 0 HG22 ILE B 62 5.689 -7.066 -0.339 1.00 32.51 H new ATOM 0 HG23 ILE B 62 4.100 -7.432 -1.052 1.00 32.51 H new ATOM 0 HD11 ILE B 62 1.761 -3.814 -0.704 1.00 40.44 H new ATOM 0 HD12 ILE B 62 3.342 -3.462 0.033 1.00 40.44 H new ATOM 0 HD13 ILE B 62 3.250 -4.438 -1.452 1.00 40.44 H new ATOM 2020 N LEU B 63 5.856 -7.653 3.146 1.00 14.41 N ATOM 2021 CA LEU B 63 7.110 -8.317 3.607 1.00 45.10 C ATOM 2022 C LEU B 63 6.830 -9.745 4.134 1.00 44.30 C ATOM 2023 O LEU B 63 7.704 -10.609 4.087 1.00 71.00 O ATOM 2024 CB LEU B 63 7.824 -7.483 4.710 1.00 32.25 C ATOM 2025 CG LEU B 63 8.371 -6.081 4.287 1.00 12.52 C ATOM 2026 CD1 LEU B 63 8.990 -5.335 5.490 1.00 73.30 C ATOM 2027 CD2 LEU B 63 9.372 -6.187 3.113 1.00 32.13 C ATOM 0 H LEU B 63 5.573 -6.866 3.730 1.00 14.41 H new ATOM 0 HA LEU B 63 7.768 -8.385 2.741 1.00 45.10 H new ATOM 0 HB2 LEU B 63 7.126 -7.341 5.535 1.00 32.25 H new ATOM 0 HB3 LEU B 63 8.657 -8.071 5.095 1.00 32.25 H new ATOM 0 HG LEU B 63 7.523 -5.495 3.934 1.00 12.52 H new ATOM 0 HD11 LEU B 63 9.361 -4.364 5.164 1.00 73.30 H new ATOM 0 HD12 LEU B 63 8.231 -5.194 6.260 1.00 73.30 H new ATOM 0 HD13 LEU B 63 9.814 -5.921 5.896 1.00 73.30 H new ATOM 0 HD21 LEU B 63 9.729 -5.192 2.849 1.00 32.13 H new ATOM 0 HD22 LEU B 63 10.217 -6.809 3.410 1.00 32.13 H new ATOM 0 HD23 LEU B 63 8.877 -6.635 2.252 1.00 32.13 H new ATOM 2039 N ASP B 64 5.615 -9.955 4.671 1.00 52.15 N ATOM 2040 CA ASP B 64 5.130 -11.292 5.087 1.00 52.44 C ATOM 2041 C ASP B 64 4.875 -12.193 3.846 1.00 74.31 C ATOM 2042 O ASP B 64 5.138 -13.401 3.871 1.00 52.43 O ATOM 2043 CB ASP B 64 3.836 -11.132 5.936 1.00 74.45 C ATOM 2044 CG ASP B 64 3.279 -12.467 6.472 1.00 72.40 C ATOM 2045 OD1 ASP B 64 3.831 -12.997 7.465 1.00 54.31 O ATOM 2046 OD2 ASP B 64 2.299 -13.000 5.898 1.00 32.23 O ATOM 0 H ASP B 64 4.940 -9.207 4.830 1.00 52.15 H new ATOM 0 HA ASP B 64 5.893 -11.778 5.696 1.00 52.44 H new ATOM 0 HB2 ASP B 64 4.043 -10.471 6.777 1.00 74.45 H new ATOM 0 HB3 ASP B 64 3.071 -10.646 5.330 1.00 74.45 H new ATOM 2051 N LEU B 65 4.373 -11.578 2.761 1.00 2.30 N ATOM 2052 CA LEU B 65 4.029 -12.284 1.500 1.00 44.13 C ATOM 2053 C LEU B 65 5.276 -12.581 0.624 1.00 1.25 C ATOM 2054 O LEU B 65 5.335 -13.601 -0.071 1.00 53.01 O ATOM 2055 CB LEU B 65 2.995 -11.442 0.705 1.00 62.42 C ATOM 2056 CG LEU B 65 1.688 -11.075 1.487 1.00 30.51 C ATOM 2057 CD1 LEU B 65 0.732 -10.222 0.630 1.00 42.22 C ATOM 2058 CD2 LEU B 65 0.981 -12.341 2.027 1.00 73.01 C ATOM 0 H LEU B 65 4.191 -10.575 2.727 1.00 2.30 H new ATOM 0 HA LEU B 65 3.598 -13.249 1.766 1.00 44.13 H new ATOM 0 HB2 LEU B 65 3.475 -10.519 0.380 1.00 62.42 H new ATOM 0 HB3 LEU B 65 2.718 -11.992 -0.195 1.00 62.42 H new ATOM 0 HG LEU B 65 1.983 -10.469 2.344 1.00 30.51 H new ATOM 0 HD11 LEU B 65 -0.163 -9.988 1.207 1.00 42.22 H new ATOM 0 HD12 LEU B 65 1.230 -9.297 0.341 1.00 42.22 H new ATOM 0 HD13 LEU B 65 0.452 -10.778 -0.265 1.00 42.22 H new ATOM 0 HD21 LEU B 65 0.078 -12.052 2.565 1.00 73.01 H new ATOM 0 HD22 LEU B 65 0.715 -12.992 1.194 1.00 73.01 H new ATOM 0 HD23 LEU B 65 1.651 -12.872 2.703 1.00 73.01 H new ATOM 2070 N GLN B 66 6.258 -11.663 0.666 1.00 42.40 N ATOM 2071 CA GLN B 66 7.530 -11.771 -0.103 1.00 75.45 C ATOM 2072 C GLN B 66 8.602 -12.561 0.677 1.00 24.43 C ATOM 2073 O GLN B 66 9.400 -13.289 0.078 1.00 52.34 O ATOM 2074 CB GLN B 66 8.075 -10.352 -0.451 1.00 43.33 C ATOM 2075 CG GLN B 66 7.186 -9.537 -1.422 1.00 31.04 C ATOM 2076 CD GLN B 66 7.063 -10.155 -2.823 1.00 23.03 C ATOM 2077 OE1 GLN B 66 7.959 -10.837 -3.307 1.00 2.20 O ATOM 2078 NE2 GLN B 66 5.955 -9.914 -3.486 1.00 60.42 N ATOM 0 H GLN B 66 6.200 -10.818 1.234 1.00 42.40 H new ATOM 0 HA GLN B 66 7.310 -12.313 -1.023 1.00 75.45 H new ATOM 0 HB2 GLN B 66 8.193 -9.786 0.473 1.00 43.33 H new ATOM 0 HB3 GLN B 66 9.067 -10.456 -0.890 1.00 43.33 H new ATOM 0 HG2 GLN B 66 6.190 -9.439 -0.991 1.00 31.04 H new ATOM 0 HG3 GLN B 66 7.594 -8.531 -1.514 1.00 31.04 H new ATOM 0 HE21 GLN B 66 5.222 -9.344 -3.064 1.00 60.42 H new ATOM 0 HE22 GLN B 66 5.828 -10.297 -4.423 1.00 60.42 H new ATOM 2087 N VAL B 67 8.577 -12.409 2.019 1.00 20.55 N ATOM 2088 CA VAL B 67 9.569 -12.982 2.961 1.00 12.14 C ATOM 2089 C VAL B 67 11.008 -12.505 2.617 1.00 24.25 C ATOM 2090 O VAL B 67 11.773 -13.191 1.918 1.00 22.05 O ATOM 2091 CB VAL B 67 9.481 -14.559 3.064 1.00 42.51 C ATOM 2092 CG1 VAL B 67 10.395 -15.104 4.187 1.00 70.32 C ATOM 2093 CG2 VAL B 67 8.018 -15.029 3.270 1.00 60.10 C ATOM 0 H VAL B 67 7.850 -11.872 2.491 1.00 20.55 H new ATOM 0 HA VAL B 67 9.317 -12.603 3.951 1.00 12.14 H new ATOM 0 HB VAL B 67 9.836 -14.966 2.117 1.00 42.51 H new ATOM 0 HG11 VAL B 67 10.310 -16.190 4.230 1.00 70.32 H new ATOM 0 HG12 VAL B 67 11.429 -14.829 3.980 1.00 70.32 H new ATOM 0 HG13 VAL B 67 10.090 -14.678 5.143 1.00 70.32 H new ATOM 0 HG21 VAL B 67 7.991 -16.117 3.337 1.00 60.10 H new ATOM 0 HG22 VAL B 67 7.624 -14.599 4.191 1.00 60.10 H new ATOM 0 HG23 VAL B 67 7.409 -14.702 2.427 1.00 60.10 H new ATOM 2103 N VAL B 68 11.331 -11.285 3.071 1.00 55.53 N ATOM 2104 CA VAL B 68 12.619 -10.607 2.789 1.00 61.13 C ATOM 2105 C VAL B 68 13.593 -10.743 4.005 1.00 63.15 C ATOM 2106 O VAL B 68 13.347 -10.100 5.052 1.00 38.11 O ATOM 2107 CB VAL B 68 12.386 -9.084 2.418 1.00 5.00 C ATOM 2108 CG1 VAL B 68 13.712 -8.387 2.019 1.00 22.12 C ATOM 2109 CG2 VAL B 68 11.323 -8.935 1.298 1.00 45.24 C ATOM 2110 OXT VAL B 68 14.591 -11.498 3.902 1.00 38.11 O ATOM 0 H VAL B 68 10.703 -10.729 3.651 1.00 55.53 H new ATOM 0 HA VAL B 68 13.079 -11.095 1.930 1.00 61.13 H new ATOM 0 HB VAL B 68 12.006 -8.587 3.310 1.00 5.00 H new ATOM 0 HG11 VAL B 68 13.515 -7.344 1.771 1.00 22.12 H new ATOM 0 HG12 VAL B 68 14.413 -8.435 2.852 1.00 22.12 H new ATOM 0 HG13 VAL B 68 14.142 -8.891 1.153 1.00 22.12 H new ATOM 0 HG21 VAL B 68 11.185 -7.879 1.065 1.00 45.24 H new ATOM 0 HG22 VAL B 68 11.659 -9.462 0.405 1.00 45.24 H new ATOM 0 HG23 VAL B 68 10.377 -9.359 1.635 1.00 45.24 H new