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 66 GLN : amide:sc= -0.0499 X(o=-0.082,f=-0.22) USER MOD Set 1.2: B 61 TYR OH : rot 130:sc= -0.0324 USER MOD Set 2.1: A 61 TYR OH : rot 0:sc= 0.413 USER MOD Set 2.2: B 66 GLN : amide:sc= 0.827 K(o=1.2,f=0.37) USER MOD Set 3.1: A 29 MET CE :methyl -145:sc= -0.28 (180deg=-2.33!) USER MOD Set 3.2: A 33 TYR OH : rot 117:sc= 1.01 USER MOD Set 3.3: B 29 MET CE :methyl -124:sc= -0.0315 (180deg=-2.42!) USER MOD Set 3.4: B 33 TYR OH : rot -166:sc= 0.743 USER MOD Set 4.1: A 32 CYS SG : rot 76:sc= 0.349 USER MOD Set 4.2: B 56 GLN : amide:sc= 0.676 K(o=1,f=-0.76) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 31 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.027) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.911 USER MOD Single : A 48 GLN : amide:sc= -0.716 K(o=-0.72,f=-3.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.152 USER MOD Single : A 51 GLN : amide:sc= -0.523 K(o=-0.52,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.33) USER MOD Single : B 30 ASN : amide:sc= -0.0261 K(o=-0.026,f=-0.78!) USER MOD Single : B 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 CYS SG : rot 83:sc= 0.644 USER MOD Single : B 34 SER OG : rot 71:sc= 0.299 USER MOD Single : B 47 THR OG1 : rot 108:sc= 1.22 USER MOD Single : B 48 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.8) USER MOD Single : B 50 SER OG : rot 90:sc= 0.184 USER MOD Single : B 51 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 11.039 13.280 3.119 1.00 24.33 N ATOM 372 CA ASP A 27 9.696 13.018 3.662 1.00 65.44 C ATOM 373 C ASP A 27 9.508 11.500 3.892 1.00 71.43 C ATOM 374 O ASP A 27 9.739 10.700 2.980 1.00 2.23 O ATOM 375 CB ASP A 27 8.607 13.586 2.707 1.00 44.41 C ATOM 376 CG ASP A 27 7.191 13.475 3.279 1.00 35.24 C ATOM 377 OD1 ASP A 27 6.878 14.194 4.250 1.00 64.23 O ATOM 378 OD2 ASP A 27 6.393 12.671 2.773 1.00 73.43 O ATOM 0 HA ASP A 27 9.591 13.523 4.622 1.00 65.44 H new ATOM 0 HB2 ASP A 27 8.827 14.633 2.497 1.00 44.41 H new ATOM 0 HB3 ASP A 27 8.652 13.054 1.757 1.00 44.41 H new ATOM 383 N ASP A 28 9.116 11.133 5.125 1.00 2.10 N ATOM 384 CA ASP A 28 8.888 9.724 5.536 1.00 13.30 C ATOM 385 C ASP A 28 7.844 9.012 4.621 1.00 15.34 C ATOM 386 O ASP A 28 8.068 7.885 4.169 1.00 21.35 O ATOM 387 CB ASP A 28 8.452 9.699 7.030 1.00 60.24 C ATOM 388 CG ASP A 28 8.447 8.299 7.686 1.00 15.25 C ATOM 389 OD1 ASP A 28 9.252 7.432 7.285 1.00 71.02 O ATOM 390 OD2 ASP A 28 7.661 8.079 8.638 1.00 32.42 O ATOM 0 H ASP A 28 8.946 11.805 5.873 1.00 2.10 H new ATOM 0 HA ASP A 28 9.818 9.167 5.423 1.00 13.30 H new ATOM 0 HB2 ASP A 28 9.119 10.348 7.598 1.00 60.24 H new ATOM 0 HB3 ASP A 28 7.451 10.124 7.108 1.00 60.24 H new ATOM 395 N MET A 29 6.728 9.711 4.329 1.00 45.41 N ATOM 396 CA MET A 29 5.661 9.227 3.411 1.00 25.04 C ATOM 397 C MET A 29 6.174 9.031 1.955 1.00 22.04 C ATOM 398 O MET A 29 5.812 8.048 1.299 1.00 43.22 O ATOM 399 CB MET A 29 4.436 10.203 3.464 1.00 31.02 C ATOM 400 CG MET A 29 3.523 10.202 2.226 1.00 3.02 C ATOM 401 SD MET A 29 1.989 11.121 2.461 1.00 73.53 S ATOM 402 CE MET A 29 1.161 10.076 3.651 1.00 24.32 C ATOM 0 H MET A 29 6.535 10.632 4.722 1.00 45.41 H new ATOM 0 HA MET A 29 5.344 8.242 3.753 1.00 25.04 H new ATOM 0 HB2 MET A 29 3.833 9.951 4.337 1.00 31.02 H new ATOM 0 HB3 MET A 29 4.809 11.216 3.616 1.00 31.02 H new ATOM 0 HG2 MET A 29 4.067 10.628 1.383 1.00 3.02 H new ATOM 0 HG3 MET A 29 3.283 9.172 1.962 1.00 3.02 H new ATOM 0 HE1 MET A 29 0.088 10.088 3.461 1.00 24.32 H new ATOM 0 HE2 MET A 29 1.534 9.056 3.561 1.00 24.32 H new ATOM 0 HE3 MET A 29 1.355 10.446 4.658 1.00 24.32 H new ATOM 412 N ASN A 30 7.009 9.971 1.468 1.00 12.53 N ATOM 413 CA ASN A 30 7.621 9.894 0.110 1.00 12.42 C ATOM 414 C ASN A 30 8.517 8.632 -0.031 1.00 33.50 C ATOM 415 O ASN A 30 8.510 7.946 -1.065 1.00 32.14 O ATOM 416 CB ASN A 30 8.454 11.176 -0.164 1.00 33.12 C ATOM 417 CG ASN A 30 9.022 11.259 -1.588 1.00 45.32 C ATOM 418 OD1 ASN A 30 8.404 10.811 -2.546 1.00 24.44 O ATOM 419 ND2 ASN A 30 10.211 11.819 -1.735 1.00 63.32 N ATOM 0 H ASN A 30 7.281 10.802 1.994 1.00 12.53 H new ATOM 0 HA ASN A 30 6.819 9.820 -0.624 1.00 12.42 H new ATOM 0 HB2 ASN A 30 7.828 12.050 0.018 1.00 33.12 H new ATOM 0 HB3 ASN A 30 9.278 11.221 0.548 1.00 33.12 H new ATOM 0 HD21 ASN A 30 10.633 11.885 -2.661 1.00 63.32 H new ATOM 0 HD22 ASN A 30 10.706 12.185 -0.922 1.00 63.32 H new ATOM 426 N HIS A 31 9.277 8.344 1.040 1.00 12.24 N ATOM 427 CA HIS A 31 10.154 7.156 1.134 1.00 0.21 C ATOM 428 C HIS A 31 9.312 5.844 1.165 1.00 34.14 C ATOM 429 O HIS A 31 9.702 4.821 0.585 1.00 23.42 O ATOM 430 CB HIS A 31 11.045 7.279 2.400 1.00 31.14 C ATOM 431 CG HIS A 31 12.160 6.264 2.486 1.00 74.43 C ATOM 432 ND1 HIS A 31 11.964 5.024 3.044 1.00 21.40 N ATOM 433 CD2 HIS A 31 13.446 6.355 2.062 1.00 0.14 C ATOM 434 CE1 HIS A 31 13.119 4.396 2.950 1.00 2.40 C ATOM 435 NE2 HIS A 31 14.046 5.159 2.362 1.00 25.15 N ATOM 0 H HIS A 31 9.302 8.932 1.873 1.00 12.24 H new ATOM 0 HA HIS A 31 10.793 7.110 0.252 1.00 0.21 H new ATOM 0 HB2 HIS A 31 11.479 8.279 2.427 1.00 31.14 H new ATOM 0 HB3 HIS A 31 10.414 7.181 3.283 1.00 31.14 H new ATOM 0 HD2 HIS A 31 13.908 7.205 1.581 1.00 0.14 H new ATOM 0 HE1 HIS A 31 13.295 3.391 3.304 1.00 2.40 H new ATOM 0 HE2 HIS A 31 15.014 4.901 2.173 1.00 25.15 H new ATOM 443 N CYS A 32 8.147 5.907 1.850 1.00 62.41 N ATOM 444 CA CYS A 32 7.177 4.786 1.927 1.00 54.21 C ATOM 445 C CYS A 32 6.544 4.477 0.544 1.00 61.43 C ATOM 446 O CYS A 32 6.366 3.311 0.181 1.00 52.25 O ATOM 447 CB CYS A 32 6.060 5.105 2.947 1.00 54.11 C ATOM 448 SG CYS A 32 6.646 5.402 4.626 1.00 25.10 S ATOM 0 H CYS A 32 7.851 6.736 2.366 1.00 62.41 H new ATOM 0 HA CYS A 32 7.728 3.905 2.254 1.00 54.21 H new ATOM 0 HB2 CYS A 32 5.513 5.984 2.605 1.00 54.11 H new ATOM 0 HB3 CYS A 32 5.353 4.276 2.964 1.00 54.11 H new ATOM 0 HG CYS A 32 7.169 6.590 4.699 1.00 25.10 H new ATOM 454 N TYR A 33 6.213 5.545 -0.209 1.00 51.13 N ATOM 455 CA TYR A 33 5.627 5.445 -1.574 1.00 3.45 C ATOM 456 C TYR A 33 6.616 4.828 -2.585 1.00 11.31 C ATOM 457 O TYR A 33 6.213 4.084 -3.491 1.00 22.33 O ATOM 458 CB TYR A 33 5.129 6.845 -2.061 1.00 2.45 C ATOM 459 CG TYR A 33 3.681 7.160 -1.656 1.00 42.44 C ATOM 460 CD1 TYR A 33 2.653 6.332 -2.096 1.00 72.41 C ATOM 461 CD2 TYR A 33 3.335 8.251 -0.858 1.00 23.22 C ATOM 462 CE1 TYR A 33 1.347 6.577 -1.768 1.00 74.10 C ATOM 463 CE2 TYR A 33 2.016 8.498 -0.527 1.00 24.22 C ATOM 464 CZ TYR A 33 1.031 7.658 -0.981 1.00 60.41 C ATOM 465 OH TYR A 33 -0.273 7.897 -0.634 1.00 11.13 O ATOM 0 H TYR A 33 6.342 6.506 0.107 1.00 51.13 H new ATOM 0 HA TYR A 33 4.771 4.773 -1.514 1.00 3.45 H new ATOM 0 HB2 TYR A 33 5.786 7.615 -1.657 1.00 2.45 H new ATOM 0 HB3 TYR A 33 5.212 6.893 -3.147 1.00 2.45 H new ATOM 0 HD1 TYR A 33 2.891 5.476 -2.710 1.00 72.41 H new ATOM 0 HD2 TYR A 33 4.108 8.911 -0.494 1.00 23.22 H new ATOM 0 HE1 TYR A 33 0.567 5.922 -2.127 1.00 74.10 H new ATOM 0 HE2 TYR A 33 1.762 9.349 0.087 1.00 24.22 H new ATOM 0 HH TYR A 33 -0.370 7.832 0.339 1.00 11.13 H new ATOM 475 N SER A 34 7.905 5.165 -2.423 1.00 51.21 N ATOM 476 CA SER A 34 9.004 4.535 -3.188 1.00 54.42 C ATOM 477 C SER A 34 9.044 3.008 -2.932 1.00 51.12 C ATOM 478 O SER A 34 9.040 2.208 -3.870 1.00 31.25 O ATOM 479 CB SER A 34 10.352 5.184 -2.804 1.00 55.41 C ATOM 480 OG SER A 34 11.440 4.607 -3.515 1.00 72.14 O ATOM 0 H SER A 34 8.219 5.877 -1.763 1.00 51.21 H new ATOM 0 HA SER A 34 8.826 4.695 -4.251 1.00 54.42 H new ATOM 0 HB2 SER A 34 10.311 6.254 -3.009 1.00 55.41 H new ATOM 0 HB3 SER A 34 10.517 5.070 -1.733 1.00 55.41 H new ATOM 0 HG SER A 34 12.275 5.044 -3.247 1.00 72.14 H new ATOM 486 N ARG A 35 9.018 2.638 -1.633 1.00 23.15 N ATOM 487 CA ARG A 35 9.032 1.226 -1.170 1.00 15.34 C ATOM 488 C ARG A 35 7.823 0.407 -1.667 1.00 73.23 C ATOM 489 O ARG A 35 7.966 -0.780 -1.968 1.00 62.34 O ATOM 490 CB ARG A 35 9.143 1.184 0.363 1.00 13.34 C ATOM 491 CG ARG A 35 10.582 1.443 0.825 1.00 3.42 C ATOM 492 CD ARG A 35 10.692 1.754 2.303 1.00 13.51 C ATOM 493 NE ARG A 35 10.252 0.646 3.181 1.00 54.11 N ATOM 494 CZ ARG A 35 11.041 -0.247 3.747 1.00 73.24 C ATOM 495 NH1 ARG A 35 12.301 -0.305 3.481 1.00 2.24 N ATOM 496 NH2 ARG A 35 10.544 -1.102 4.567 1.00 31.04 N ATOM 0 H ARG A 35 8.986 3.312 -0.868 1.00 23.15 H new ATOM 0 HA ARG A 35 9.908 0.750 -1.611 1.00 15.34 H new ATOM 0 HB2 ARG A 35 8.479 1.931 0.798 1.00 13.34 H new ATOM 0 HB3 ARG A 35 8.811 0.212 0.727 1.00 13.34 H new ATOM 0 HG2 ARG A 35 11.191 0.568 0.599 1.00 3.42 H new ATOM 0 HG3 ARG A 35 10.995 2.275 0.254 1.00 3.42 H new ATOM 0 HD2 ARG A 35 11.728 2.001 2.537 1.00 13.51 H new ATOM 0 HD3 ARG A 35 10.095 2.639 2.524 1.00 13.51 H new ATOM 0 HE ARG A 35 9.252 0.566 3.364 1.00 54.11 H new ATOM 0 HH11 ARG A 35 12.713 0.351 2.817 1.00 2.24 H new ATOM 0 HH12 ARG A 35 12.886 -1.007 3.934 1.00 2.24 H new ATOM 0 HH21 ARG A 35 9.546 -1.087 4.776 1.00 31.04 H new ATOM 0 HH22 ARG A 35 11.148 -1.796 5.009 1.00 31.04 H new ATOM 510 N LEU A 36 6.637 1.048 -1.744 1.00 53.24 N ATOM 511 CA LEU A 36 5.436 0.430 -2.349 1.00 72.30 C ATOM 512 C LEU A 36 5.708 0.047 -3.817 1.00 51.04 C ATOM 513 O LEU A 36 5.567 -1.110 -4.192 1.00 62.03 O ATOM 514 CB LEU A 36 4.214 1.383 -2.277 1.00 1.41 C ATOM 515 CG LEU A 36 3.645 1.679 -0.856 1.00 1.21 C ATOM 516 CD1 LEU A 36 2.452 2.653 -0.936 1.00 74.23 C ATOM 517 CD2 LEU A 36 3.256 0.372 -0.114 1.00 21.22 C ATOM 0 H LEU A 36 6.485 1.994 -1.395 1.00 53.24 H new ATOM 0 HA LEU A 36 5.206 -0.470 -1.778 1.00 72.30 H new ATOM 0 HB2 LEU A 36 4.493 2.331 -2.737 1.00 1.41 H new ATOM 0 HB3 LEU A 36 3.414 0.958 -2.883 1.00 1.41 H new ATOM 0 HG LEU A 36 4.434 2.158 -0.275 1.00 1.21 H new ATOM 0 HD11 LEU A 36 2.071 2.845 0.067 1.00 74.23 H new ATOM 0 HD12 LEU A 36 2.777 3.591 -1.386 1.00 74.23 H new ATOM 0 HD13 LEU A 36 1.663 2.213 -1.545 1.00 74.23 H new ATOM 0 HD21 LEU A 36 2.863 0.617 0.873 1.00 21.22 H new ATOM 0 HD22 LEU A 36 2.495 -0.158 -0.686 1.00 21.22 H new ATOM 0 HD23 LEU A 36 4.137 -0.262 -0.007 1.00 21.22 H new ATOM 529 N ARG A 37 6.163 1.032 -4.616 1.00 53.40 N ATOM 530 CA ARG A 37 6.448 0.852 -6.059 1.00 15.25 C ATOM 531 C ARG A 37 7.587 -0.184 -6.312 1.00 73.23 C ATOM 532 O ARG A 37 7.691 -0.758 -7.404 1.00 62.30 O ATOM 533 CB ARG A 37 6.781 2.236 -6.683 1.00 3.34 C ATOM 534 CG ARG A 37 6.720 2.271 -8.226 1.00 12.42 C ATOM 535 CD ARG A 37 6.756 3.695 -8.810 1.00 65.34 C ATOM 536 NE ARG A 37 7.989 4.429 -8.449 1.00 44.40 N ATOM 537 CZ ARG A 37 8.671 5.229 -9.243 1.00 44.24 C ATOM 538 NH1 ARG A 37 8.342 5.402 -10.484 1.00 25.23 N ATOM 539 NH2 ARG A 37 9.699 5.845 -8.782 1.00 13.44 N ATOM 0 H ARG A 37 6.345 1.978 -4.281 1.00 53.40 H new ATOM 0 HA ARG A 37 5.561 0.442 -6.543 1.00 15.25 H new ATOM 0 HB2 ARG A 37 6.086 2.976 -6.287 1.00 3.34 H new ATOM 0 HB3 ARG A 37 7.780 2.534 -6.364 1.00 3.34 H new ATOM 0 HG2 ARG A 37 7.558 1.701 -8.628 1.00 12.42 H new ATOM 0 HG3 ARG A 37 5.808 1.774 -8.557 1.00 12.42 H new ATOM 0 HD2 ARG A 37 6.675 3.640 -9.896 1.00 65.34 H new ATOM 0 HD3 ARG A 37 5.889 4.252 -8.454 1.00 65.34 H new ATOM 0 HE ARG A 37 8.343 4.304 -7.500 1.00 44.40 H new ATOM 0 HH11 ARG A 37 7.535 4.912 -10.871 1.00 25.23 H new ATOM 0 HH12 ARG A 37 8.890 6.028 -11.074 1.00 25.23 H new ATOM 0 HH21 ARG A 37 9.980 5.712 -7.810 1.00 13.44 H new ATOM 0 HH22 ARG A 37 10.235 6.467 -9.387 1.00 13.44 H new ATOM 553 N GLU A 38 8.412 -0.433 -5.273 1.00 34.31 N ATOM 554 CA GLU A 38 9.478 -1.470 -5.316 1.00 72.21 C ATOM 555 C GLU A 38 8.887 -2.882 -5.099 1.00 64.10 C ATOM 556 O GLU A 38 9.355 -3.865 -5.682 1.00 50.11 O ATOM 557 CB GLU A 38 10.574 -1.181 -4.255 1.00 13.12 C ATOM 558 CG GLU A 38 11.366 0.124 -4.476 1.00 34.34 C ATOM 559 CD GLU A 38 12.025 0.208 -5.862 1.00 74.45 C ATOM 560 OE1 GLU A 38 13.024 -0.505 -6.093 1.00 5.22 O ATOM 561 OE2 GLU A 38 11.547 0.970 -6.735 1.00 31.34 O ATOM 0 H GLU A 38 8.364 0.070 -4.387 1.00 34.31 H new ATOM 0 HA GLU A 38 9.934 -1.435 -6.305 1.00 72.21 H new ATOM 0 HB2 GLU A 38 10.105 -1.142 -3.272 1.00 13.12 H new ATOM 0 HB3 GLU A 38 11.275 -2.016 -4.241 1.00 13.12 H new ATOM 0 HG2 GLU A 38 10.696 0.974 -4.348 1.00 34.34 H new ATOM 0 HG3 GLU A 38 12.136 0.208 -3.709 1.00 34.34 H new ATOM 568 N LEU A 39 7.858 -2.957 -4.243 1.00 22.42 N ATOM 569 CA LEU A 39 7.165 -4.218 -3.898 1.00 70.43 C ATOM 570 C LEU A 39 5.999 -4.545 -4.868 1.00 31.25 C ATOM 571 O LEU A 39 5.468 -5.661 -4.855 1.00 63.54 O ATOM 572 CB LEU A 39 6.648 -4.131 -2.443 1.00 2.31 C ATOM 573 CG LEU A 39 7.742 -3.986 -1.336 1.00 4.22 C ATOM 574 CD1 LEU A 39 7.103 -3.871 0.065 1.00 11.51 C ATOM 575 CD2 LEU A 39 8.766 -5.153 -1.397 1.00 51.45 C ATOM 0 H LEU A 39 7.476 -2.141 -3.764 1.00 22.42 H new ATOM 0 HA LEU A 39 7.885 -5.031 -3.994 1.00 70.43 H new ATOM 0 HB2 LEU A 39 5.970 -3.281 -2.369 1.00 2.31 H new ATOM 0 HB3 LEU A 39 6.062 -5.026 -2.232 1.00 2.31 H new ATOM 0 HG LEU A 39 8.288 -3.062 -1.528 1.00 4.22 H new ATOM 0 HD11 LEU A 39 7.887 -3.771 0.815 1.00 11.51 H new ATOM 0 HD12 LEU A 39 6.455 -2.995 0.099 1.00 11.51 H new ATOM 0 HD13 LEU A 39 6.515 -4.765 0.271 1.00 11.51 H new ATOM 0 HD21 LEU A 39 9.513 -5.023 -0.614 1.00 51.45 H new ATOM 0 HD22 LEU A 39 8.247 -6.100 -1.249 1.00 51.45 H new ATOM 0 HD23 LEU A 39 9.257 -5.156 -2.370 1.00 51.45 H new ATOM 587 N VAL A 40 5.598 -3.558 -5.693 1.00 32.12 N ATOM 588 CA VAL A 40 4.546 -3.734 -6.731 1.00 63.11 C ATOM 589 C VAL A 40 5.193 -3.871 -8.141 1.00 21.44 C ATOM 590 O VAL A 40 5.620 -2.862 -8.724 1.00 61.33 O ATOM 591 CB VAL A 40 3.512 -2.532 -6.729 1.00 0.04 C ATOM 592 CG1 VAL A 40 2.380 -2.745 -7.770 1.00 31.45 C ATOM 593 CG2 VAL A 40 2.933 -2.315 -5.312 1.00 63.04 C ATOM 0 H VAL A 40 5.989 -2.616 -5.664 1.00 32.12 H new ATOM 0 HA VAL A 40 4.001 -4.647 -6.492 1.00 63.11 H new ATOM 0 HB VAL A 40 4.051 -1.631 -7.021 1.00 0.04 H new ATOM 0 HG11 VAL A 40 1.692 -1.900 -7.738 1.00 31.45 H new ATOM 0 HG12 VAL A 40 2.813 -2.823 -8.767 1.00 31.45 H new ATOM 0 HG13 VAL A 40 1.839 -3.662 -7.537 1.00 31.45 H new ATOM 0 HG21 VAL A 40 2.226 -1.486 -5.331 1.00 63.04 H new ATOM 0 HG22 VAL A 40 2.422 -3.221 -4.985 1.00 63.04 H new ATOM 0 HG23 VAL A 40 3.743 -2.085 -4.619 1.00 63.04 H new ATOM 603 N PRO A 41 5.315 -5.126 -8.705 1.00 3.05 N ATOM 604 CA PRO A 41 5.806 -5.338 -10.092 1.00 0.13 C ATOM 605 C PRO A 41 4.714 -5.076 -11.168 1.00 40.31 C ATOM 606 O PRO A 41 5.028 -4.990 -12.357 1.00 4.11 O ATOM 607 CB PRO A 41 6.239 -6.825 -10.073 1.00 63.54 C ATOM 608 CG PRO A 41 5.297 -7.469 -9.100 1.00 53.43 C ATOM 609 CD PRO A 41 5.027 -6.426 -8.030 1.00 42.42 C ATOM 0 HA PRO A 41 6.606 -4.648 -10.361 1.00 0.13 H new ATOM 0 HB2 PRO A 41 6.160 -7.276 -11.062 1.00 63.54 H new ATOM 0 HB3 PRO A 41 7.276 -6.934 -9.755 1.00 63.54 H new ATOM 0 HG2 PRO A 41 4.373 -7.771 -9.593 1.00 53.43 H new ATOM 0 HG3 PRO A 41 5.736 -8.368 -8.667 1.00 53.43 H new ATOM 0 HD2 PRO A 41 3.996 -6.473 -7.679 1.00 42.42 H new ATOM 0 HD3 PRO A 41 5.667 -6.573 -7.160 1.00 42.42 H new ATOM 617 N GLY A 42 3.436 -4.956 -10.734 1.00 10.21 N ATOM 618 CA GLY A 42 2.290 -4.708 -11.638 1.00 4.32 C ATOM 619 C GLY A 42 2.069 -3.220 -11.942 1.00 12.24 C ATOM 620 O GLY A 42 0.971 -2.686 -11.746 1.00 12.12 O ATOM 0 H GLY A 42 3.173 -5.028 -9.751 1.00 10.21 H new ATOM 0 HA2 GLY A 42 2.452 -5.243 -12.574 1.00 4.32 H new ATOM 0 HA3 GLY A 42 1.386 -5.118 -11.188 1.00 4.32 H new ATOM 624 N VAL A 43 3.133 -2.552 -12.425 1.00 55.53 N ATOM 625 CA VAL A 43 3.109 -1.118 -12.796 1.00 72.10 C ATOM 626 C VAL A 43 3.491 -0.942 -14.294 1.00 71.44 C ATOM 627 O VAL A 43 4.591 -1.351 -14.698 1.00 45.31 O ATOM 628 CB VAL A 43 4.095 -0.268 -11.899 1.00 54.22 C ATOM 629 CG1 VAL A 43 4.139 1.213 -12.347 1.00 21.24 C ATOM 630 CG2 VAL A 43 3.741 -0.380 -10.395 1.00 2.30 C ATOM 0 H VAL A 43 4.042 -2.992 -12.571 1.00 55.53 H new ATOM 0 HA VAL A 43 2.095 -0.755 -12.630 1.00 72.10 H new ATOM 0 HB VAL A 43 5.092 -0.688 -12.037 1.00 54.22 H new ATOM 0 HG11 VAL A 43 4.827 1.766 -11.708 1.00 21.24 H new ATOM 0 HG12 VAL A 43 4.479 1.270 -13.381 1.00 21.24 H new ATOM 0 HG13 VAL A 43 3.142 1.647 -12.268 1.00 21.24 H new ATOM 0 HG21 VAL A 43 4.441 0.218 -9.811 1.00 2.30 H new ATOM 0 HG22 VAL A 43 2.727 -0.014 -10.232 1.00 2.30 H new ATOM 0 HG23 VAL A 43 3.806 -1.422 -10.083 1.00 2.30 H new ATOM 640 N PRO A 44 2.592 -0.343 -15.146 1.00 13.43 N ATOM 641 CA PRO A 44 2.936 0.024 -16.546 1.00 61.34 C ATOM 642 C PRO A 44 4.105 1.051 -16.603 1.00 35.31 C ATOM 643 O PRO A 44 4.001 2.161 -16.051 1.00 31.50 O ATOM 644 CB PRO A 44 1.610 0.618 -17.105 1.00 34.34 C ATOM 645 CG PRO A 44 0.539 0.072 -16.203 1.00 71.35 C ATOM 646 CD PRO A 44 1.176 -0.014 -14.837 1.00 15.52 C ATOM 0 HA PRO A 44 3.291 -0.826 -17.129 1.00 61.34 H new ATOM 0 HB2 PRO A 44 1.625 1.708 -17.087 1.00 34.34 H new ATOM 0 HB3 PRO A 44 1.447 0.318 -18.140 1.00 34.34 H new ATOM 0 HG2 PRO A 44 -0.334 0.724 -16.190 1.00 71.35 H new ATOM 0 HG3 PRO A 44 0.201 -0.907 -16.542 1.00 71.35 H new ATOM 0 HD2 PRO A 44 1.090 0.926 -14.292 1.00 15.52 H new ATOM 0 HD3 PRO A 44 0.708 -0.783 -14.222 1.00 15.52 H new ATOM 654 N ARG A 45 5.213 0.651 -17.259 1.00 33.22 N ATOM 655 CA ARG A 45 6.453 1.465 -17.353 1.00 3.55 C ATOM 656 C ARG A 45 6.216 2.789 -18.123 1.00 11.43 C ATOM 657 O ARG A 45 6.796 3.825 -17.789 1.00 24.51 O ATOM 658 CB ARG A 45 7.576 0.643 -18.033 1.00 23.35 C ATOM 659 CG ARG A 45 7.899 -0.689 -17.322 1.00 23.23 C ATOM 660 CD ARG A 45 8.998 -1.484 -18.038 1.00 53.43 C ATOM 661 NE ARG A 45 10.283 -0.761 -18.028 1.00 51.01 N ATOM 662 CZ ARG A 45 11.162 -0.721 -19.005 1.00 22.22 C ATOM 663 NH1 ARG A 45 10.923 -1.265 -20.159 1.00 21.40 N ATOM 664 NH2 ARG A 45 12.277 -0.095 -18.820 1.00 31.44 N ATOM 0 H ARG A 45 5.279 -0.246 -17.741 1.00 33.22 H new ATOM 0 HA ARG A 45 6.758 1.725 -16.339 1.00 3.55 H new ATOM 0 HB2 ARG A 45 7.285 0.432 -19.062 1.00 23.35 H new ATOM 0 HB3 ARG A 45 8.481 1.249 -18.075 1.00 23.35 H new ATOM 0 HG2 ARG A 45 8.211 -0.484 -16.298 1.00 23.23 H new ATOM 0 HG3 ARG A 45 6.995 -1.295 -17.264 1.00 23.23 H new ATOM 0 HD2 ARG A 45 9.121 -2.453 -17.554 1.00 53.43 H new ATOM 0 HD3 ARG A 45 8.696 -1.677 -19.067 1.00 53.43 H new ATOM 0 HE ARG A 45 10.512 -0.241 -17.181 1.00 51.01 H new ATOM 0 HH11 ARG A 45 10.035 -1.739 -20.326 1.00 21.40 H new ATOM 0 HH12 ARG A 45 11.623 -1.219 -20.899 1.00 21.40 H new ATOM 0 HH21 ARG A 45 12.465 0.359 -17.926 1.00 31.44 H new ATOM 0 HH22 ARG A 45 12.969 -0.055 -19.568 1.00 31.44 H new ATOM 678 N GLY A 46 5.329 2.737 -19.141 1.00 75.54 N ATOM 679 CA GLY A 46 4.967 3.916 -19.946 1.00 42.21 C ATOM 680 C GLY A 46 3.949 4.864 -19.276 1.00 55.24 C ATOM 681 O GLY A 46 3.432 5.771 -19.932 1.00 70.21 O ATOM 0 H GLY A 46 4.849 1.882 -19.423 1.00 75.54 H new ATOM 0 HA2 GLY A 46 5.873 4.478 -20.171 1.00 42.21 H new ATOM 0 HA3 GLY A 46 4.557 3.578 -20.898 1.00 42.21 H new ATOM 685 N THR A 47 3.659 4.657 -17.974 1.00 73.42 N ATOM 686 CA THR A 47 2.732 5.526 -17.197 1.00 51.41 C ATOM 687 C THR A 47 3.505 6.484 -16.256 1.00 31.51 C ATOM 688 O THR A 47 3.358 7.703 -16.369 1.00 52.12 O ATOM 689 CB THR A 47 1.717 4.666 -16.364 1.00 71.41 C ATOM 690 OG1 THR A 47 0.934 3.842 -17.248 1.00 54.21 O ATOM 691 CG2 THR A 47 0.760 5.524 -15.504 1.00 0.41 C ATOM 0 H THR A 47 4.054 3.890 -17.430 1.00 73.42 H new ATOM 0 HA THR A 47 2.177 6.126 -17.918 1.00 51.41 H new ATOM 0 HB THR A 47 2.312 4.054 -15.686 1.00 71.41 H new ATOM 0 HG1 THR A 47 0.201 3.428 -16.746 1.00 54.21 H new ATOM 0 HG21 THR A 47 0.083 4.872 -14.952 1.00 0.41 H new ATOM 0 HG22 THR A 47 1.340 6.123 -14.802 1.00 0.41 H new ATOM 0 HG23 THR A 47 0.181 6.183 -16.151 1.00 0.41 H new ATOM 699 N GLN A 48 4.345 5.909 -15.357 1.00 12.14 N ATOM 700 CA GLN A 48 5.005 6.641 -14.234 1.00 51.01 C ATOM 701 C GLN A 48 3.947 7.207 -13.234 1.00 63.13 C ATOM 702 O GLN A 48 3.247 8.187 -13.515 1.00 21.41 O ATOM 703 CB GLN A 48 5.993 7.746 -14.749 1.00 2.42 C ATOM 704 CG GLN A 48 6.665 8.638 -13.668 1.00 70.11 C ATOM 705 CD GLN A 48 7.351 7.859 -12.532 1.00 1.52 C ATOM 706 OE1 GLN A 48 8.505 7.460 -12.636 1.00 50.13 O ATOM 707 NE2 GLN A 48 6.663 7.689 -11.417 1.00 35.43 N ATOM 0 H GLN A 48 4.588 4.919 -15.387 1.00 12.14 H new ATOM 0 HA GLN A 48 5.615 5.923 -13.686 1.00 51.01 H new ATOM 0 HB2 GLN A 48 6.779 7.258 -15.325 1.00 2.42 H new ATOM 0 HB3 GLN A 48 5.450 8.395 -15.436 1.00 2.42 H new ATOM 0 HG2 GLN A 48 7.404 9.277 -14.151 1.00 70.11 H new ATOM 0 HG3 GLN A 48 5.910 9.295 -13.236 1.00 70.11 H new ATOM 0 HE21 GLN A 48 5.704 8.029 -11.353 1.00 35.43 H new ATOM 0 HE22 GLN A 48 7.091 7.217 -10.620 1.00 35.43 H new ATOM 716 N LEU A 49 3.860 6.555 -12.059 1.00 44.14 N ATOM 717 CA LEU A 49 2.819 6.834 -11.039 1.00 72.23 C ATOM 718 C LEU A 49 3.182 8.031 -10.133 1.00 13.13 C ATOM 719 O LEU A 49 4.330 8.155 -9.696 1.00 23.02 O ATOM 720 CB LEU A 49 2.634 5.593 -10.129 1.00 51.22 C ATOM 721 CG LEU A 49 2.386 4.231 -10.831 1.00 74.22 C ATOM 722 CD1 LEU A 49 2.310 3.096 -9.787 1.00 44.04 C ATOM 723 CD2 LEU A 49 1.127 4.269 -11.734 1.00 55.24 C ATOM 0 H LEU A 49 4.509 5.817 -11.785 1.00 44.14 H new ATOM 0 HA LEU A 49 1.905 7.073 -11.583 1.00 72.23 H new ATOM 0 HB2 LEU A 49 3.523 5.495 -9.506 1.00 51.22 H new ATOM 0 HB3 LEU A 49 1.795 5.786 -9.460 1.00 51.22 H new ATOM 0 HG LEU A 49 3.232 4.030 -11.489 1.00 74.22 H new ATOM 0 HD11 LEU A 49 2.136 2.147 -10.294 1.00 44.04 H new ATOM 0 HD12 LEU A 49 3.249 3.046 -9.235 1.00 44.04 H new ATOM 0 HD13 LEU A 49 1.492 3.293 -9.094 1.00 44.04 H new ATOM 0 HD21 LEU A 49 0.989 3.297 -12.207 1.00 55.24 H new ATOM 0 HD22 LEU A 49 0.252 4.506 -11.129 1.00 55.24 H new ATOM 0 HD23 LEU A 49 1.253 5.031 -12.503 1.00 55.24 H new ATOM 735 N SER A 50 2.191 8.889 -9.843 1.00 13.51 N ATOM 736 CA SER A 50 2.280 9.873 -8.731 1.00 23.51 C ATOM 737 C SER A 50 1.542 9.301 -7.481 1.00 10.21 C ATOM 738 O SER A 50 1.024 8.179 -7.531 1.00 32.05 O ATOM 739 CB SER A 50 1.707 11.247 -9.172 1.00 30.33 C ATOM 740 OG SER A 50 1.930 12.264 -8.201 1.00 14.44 O ATOM 0 H SER A 50 1.313 8.928 -10.360 1.00 13.51 H new ATOM 0 HA SER A 50 3.324 10.039 -8.464 1.00 23.51 H new ATOM 0 HB2 SER A 50 2.165 11.543 -10.116 1.00 30.33 H new ATOM 0 HB3 SER A 50 0.637 11.150 -9.354 1.00 30.33 H new ATOM 0 HG SER A 50 1.555 13.110 -8.522 1.00 14.44 H new ATOM 746 N GLN A 51 1.480 10.089 -6.388 1.00 73.42 N ATOM 747 CA GLN A 51 1.074 9.630 -5.023 1.00 13.34 C ATOM 748 C GLN A 51 -0.222 8.755 -4.977 1.00 61.42 C ATOM 749 O GLN A 51 -0.214 7.656 -4.403 1.00 15.40 O ATOM 750 CB GLN A 51 0.906 10.867 -4.101 1.00 1.41 C ATOM 751 CG GLN A 51 2.179 11.730 -3.938 1.00 11.51 C ATOM 752 CD GLN A 51 1.983 12.987 -3.072 1.00 4.42 C ATOM 753 OE1 GLN A 51 2.898 13.430 -2.384 1.00 45.23 O ATOM 754 NE2 GLN A 51 0.815 13.607 -3.136 1.00 51.21 N ATOM 0 H GLN A 51 1.713 11.082 -6.419 1.00 73.42 H new ATOM 0 HA GLN A 51 1.874 8.976 -4.676 1.00 13.34 H new ATOM 0 HB2 GLN A 51 0.107 11.493 -4.498 1.00 1.41 H new ATOM 0 HB3 GLN A 51 0.585 10.528 -3.116 1.00 1.41 H new ATOM 0 HG2 GLN A 51 2.965 11.118 -3.497 1.00 11.51 H new ATOM 0 HG3 GLN A 51 2.527 12.033 -4.925 1.00 11.51 H new ATOM 0 HE21 GLN A 51 0.066 13.225 -3.713 1.00 51.21 H new ATOM 0 HE22 GLN A 51 0.665 14.467 -2.609 1.00 51.21 H new ATOM 763 N VAL A 52 -1.323 9.244 -5.586 1.00 1.02 N ATOM 764 CA VAL A 52 -2.637 8.538 -5.571 1.00 71.22 C ATOM 765 C VAL A 52 -2.610 7.264 -6.460 1.00 53.43 C ATOM 766 O VAL A 52 -3.139 6.212 -6.074 1.00 14.51 O ATOM 767 CB VAL A 52 -3.818 9.477 -6.037 1.00 51.23 C ATOM 768 CG1 VAL A 52 -5.196 8.786 -5.887 1.00 51.13 C ATOM 769 CG2 VAL A 52 -3.795 10.812 -5.269 1.00 12.42 C ATOM 0 H VAL A 52 -1.335 10.127 -6.097 1.00 1.02 H new ATOM 0 HA VAL A 52 -2.814 8.245 -4.536 1.00 71.22 H new ATOM 0 HB VAL A 52 -3.667 9.684 -7.096 1.00 51.23 H new ATOM 0 HG11 VAL A 52 -5.982 9.465 -6.218 1.00 51.13 H new ATOM 0 HG12 VAL A 52 -5.218 7.882 -6.495 1.00 51.13 H new ATOM 0 HG13 VAL A 52 -5.360 8.524 -4.842 1.00 51.13 H new ATOM 0 HG21 VAL A 52 -4.618 11.441 -5.608 1.00 12.42 H new ATOM 0 HG22 VAL A 52 -3.901 10.619 -4.201 1.00 12.42 H new ATOM 0 HG23 VAL A 52 -2.849 11.322 -5.453 1.00 12.42 H new ATOM 779 N GLU A 53 -1.963 7.375 -7.642 1.00 4.12 N ATOM 780 CA GLU A 53 -1.879 6.270 -8.635 1.00 51.21 C ATOM 781 C GLU A 53 -1.054 5.083 -8.101 1.00 51.13 C ATOM 782 O GLU A 53 -1.271 3.937 -8.513 1.00 14.21 O ATOM 783 CB GLU A 53 -1.287 6.755 -9.988 1.00 2.21 C ATOM 784 CG GLU A 53 -2.065 7.909 -10.672 1.00 23.15 C ATOM 785 CD GLU A 53 -1.613 9.318 -10.229 1.00 73.45 C ATOM 786 OE1 GLU A 53 -2.093 9.832 -9.191 1.00 35.42 O ATOM 787 OE2 GLU A 53 -0.770 9.913 -10.925 1.00 23.21 O ATOM 0 H GLU A 53 -1.485 8.227 -7.937 1.00 4.12 H new ATOM 0 HA GLU A 53 -2.901 5.932 -8.806 1.00 51.21 H new ATOM 0 HB2 GLU A 53 -0.260 7.079 -9.822 1.00 2.21 H new ATOM 0 HB3 GLU A 53 -1.247 5.908 -10.673 1.00 2.21 H new ATOM 0 HG2 GLU A 53 -1.947 7.823 -11.752 1.00 23.15 H new ATOM 0 HG3 GLU A 53 -3.128 7.795 -10.457 1.00 23.15 H new ATOM 794 N ILE A 54 -0.097 5.371 -7.195 1.00 3.54 N ATOM 795 CA ILE A 54 0.646 4.326 -6.463 1.00 62.12 C ATOM 796 C ILE A 54 -0.328 3.487 -5.593 1.00 11.13 C ATOM 797 O ILE A 54 -0.361 2.269 -5.726 1.00 30.20 O ATOM 798 CB ILE A 54 1.813 4.930 -5.579 1.00 54.22 C ATOM 799 CG1 ILE A 54 2.887 5.634 -6.480 1.00 71.11 C ATOM 800 CG2 ILE A 54 2.474 3.846 -4.682 1.00 33.33 C ATOM 801 CD1 ILE A 54 4.042 6.290 -5.736 1.00 11.42 C ATOM 0 H ILE A 54 0.180 6.322 -6.953 1.00 3.54 H new ATOM 0 HA ILE A 54 1.113 3.675 -7.202 1.00 62.12 H new ATOM 0 HB ILE A 54 1.371 5.677 -4.920 1.00 54.22 H new ATOM 0 HG12 ILE A 54 3.296 4.896 -7.171 1.00 71.11 H new ATOM 0 HG13 ILE A 54 2.388 6.393 -7.083 1.00 71.11 H new ATOM 0 HG21 ILE A 54 3.270 4.299 -4.091 1.00 33.33 H new ATOM 0 HG22 ILE A 54 1.725 3.419 -4.015 1.00 33.33 H new ATOM 0 HG23 ILE A 54 2.892 3.059 -5.310 1.00 33.33 H new ATOM 0 HD11 ILE A 54 4.725 6.746 -6.453 1.00 11.42 H new ATOM 0 HD12 ILE A 54 3.654 7.057 -5.066 1.00 11.42 H new ATOM 0 HD13 ILE A 54 4.575 5.537 -5.156 1.00 11.42 H new ATOM 813 N LEU A 55 -1.148 4.168 -4.755 1.00 15.32 N ATOM 814 CA LEU A 55 -2.167 3.512 -3.879 1.00 33.32 C ATOM 815 C LEU A 55 -3.102 2.568 -4.675 1.00 31.33 C ATOM 816 O LEU A 55 -3.381 1.443 -4.248 1.00 11.32 O ATOM 817 CB LEU A 55 -3.033 4.577 -3.157 1.00 41.42 C ATOM 818 CG LEU A 55 -2.295 5.514 -2.158 1.00 43.34 C ATOM 819 CD1 LEU A 55 -3.262 6.556 -1.553 1.00 44.14 C ATOM 820 CD2 LEU A 55 -1.588 4.700 -1.050 1.00 30.25 C ATOM 0 H LEU A 55 -1.127 5.184 -4.663 1.00 15.32 H new ATOM 0 HA LEU A 55 -1.615 2.919 -3.150 1.00 33.32 H new ATOM 0 HB2 LEU A 55 -3.513 5.197 -3.915 1.00 41.42 H new ATOM 0 HB3 LEU A 55 -3.827 4.061 -2.617 1.00 41.42 H new ATOM 0 HG LEU A 55 -1.529 6.055 -2.713 1.00 43.34 H new ATOM 0 HD11 LEU A 55 -2.718 7.197 -0.859 1.00 44.14 H new ATOM 0 HD12 LEU A 55 -3.687 7.164 -2.351 1.00 44.14 H new ATOM 0 HD13 LEU A 55 -4.064 6.043 -1.022 1.00 44.14 H new ATOM 0 HD21 LEU A 55 -1.080 5.380 -0.366 1.00 30.25 H new ATOM 0 HD22 LEU A 55 -2.326 4.117 -0.500 1.00 30.25 H new ATOM 0 HD23 LEU A 55 -0.858 4.028 -1.502 1.00 30.25 H new ATOM 832 N GLN A 56 -3.573 3.069 -5.826 1.00 42.02 N ATOM 833 CA GLN A 56 -4.436 2.316 -6.756 1.00 1.10 C ATOM 834 C GLN A 56 -3.750 1.007 -7.240 1.00 62.10 C ATOM 835 O GLN A 56 -4.313 -0.081 -7.107 1.00 72.41 O ATOM 836 CB GLN A 56 -4.802 3.232 -7.957 1.00 61.21 C ATOM 837 CG GLN A 56 -5.698 4.445 -7.594 1.00 63.11 C ATOM 838 CD GLN A 56 -5.915 5.432 -8.751 1.00 71.31 C ATOM 839 OE1 GLN A 56 -5.854 5.073 -9.922 1.00 32.42 O ATOM 840 NE2 GLN A 56 -6.220 6.674 -8.430 1.00 2.14 N ATOM 0 H GLN A 56 -3.366 4.016 -6.143 1.00 42.02 H new ATOM 0 HA GLN A 56 -5.346 2.019 -6.234 1.00 1.10 H new ATOM 0 HB2 GLN A 56 -3.881 3.600 -8.410 1.00 61.21 H new ATOM 0 HB3 GLN A 56 -5.312 2.633 -8.712 1.00 61.21 H new ATOM 0 HG2 GLN A 56 -6.667 4.079 -7.256 1.00 63.11 H new ATOM 0 HG3 GLN A 56 -5.248 4.977 -6.756 1.00 63.11 H new ATOM 0 HE21 GLN A 56 -6.265 6.951 -7.449 1.00 2.14 H new ATOM 0 HE22 GLN A 56 -6.411 7.358 -9.162 1.00 2.14 H new ATOM 849 N ARG A 57 -2.505 1.132 -7.749 1.00 54.33 N ATOM 850 CA ARG A 57 -1.702 -0.017 -8.253 1.00 35.24 C ATOM 851 C ARG A 57 -1.291 -0.999 -7.125 1.00 32.12 C ATOM 852 O ARG A 57 -1.020 -2.170 -7.399 1.00 60.43 O ATOM 853 CB ARG A 57 -0.446 0.505 -8.995 1.00 44.42 C ATOM 854 CG ARG A 57 -0.724 1.227 -10.341 1.00 1.33 C ATOM 855 CD ARG A 57 -0.870 0.286 -11.555 1.00 4.33 C ATOM 856 NE ARG A 57 -2.102 -0.519 -11.548 1.00 51.02 N ATOM 857 CZ ARG A 57 -2.362 -1.502 -12.388 1.00 62.22 C ATOM 858 NH1 ARG A 57 -1.465 -1.957 -13.197 1.00 14.15 N ATOM 859 NH2 ARG A 57 -3.516 -2.057 -12.376 1.00 4.42 N ATOM 0 H ARG A 57 -2.024 2.028 -7.824 1.00 54.33 H new ATOM 0 HA ARG A 57 -2.333 -0.576 -8.943 1.00 35.24 H new ATOM 0 HB2 ARG A 57 0.086 1.191 -8.336 1.00 44.42 H new ATOM 0 HB3 ARG A 57 0.220 -0.337 -9.184 1.00 44.42 H new ATOM 0 HG2 ARG A 57 -1.636 1.815 -10.241 1.00 1.33 H new ATOM 0 HG3 ARG A 57 0.087 1.928 -10.537 1.00 1.33 H new ATOM 0 HD2 ARG A 57 -0.843 0.881 -12.468 1.00 4.33 H new ATOM 0 HD3 ARG A 57 -0.011 -0.384 -11.587 1.00 4.33 H new ATOM 0 HE ARG A 57 -2.806 -0.301 -10.843 1.00 51.02 H new ATOM 0 HH11 ARG A 57 -0.527 -1.555 -13.197 1.00 14.15 H new ATOM 0 HH12 ARG A 57 -1.694 -2.718 -13.836 1.00 14.15 H new ATOM 0 HH21 ARG A 57 -4.228 -1.738 -11.719 1.00 4.42 H new ATOM 0 HH22 ARG A 57 -3.723 -2.818 -13.023 1.00 4.42 H new ATOM 873 N VAL A 58 -1.223 -0.509 -5.871 1.00 62.20 N ATOM 874 CA VAL A 58 -1.002 -1.372 -4.687 1.00 21.13 C ATOM 875 C VAL A 58 -2.239 -2.272 -4.448 1.00 51.35 C ATOM 876 O VAL A 58 -2.094 -3.477 -4.246 1.00 23.14 O ATOM 877 CB VAL A 58 -0.670 -0.540 -3.381 1.00 41.23 C ATOM 878 CG1 VAL A 58 -0.600 -1.444 -2.126 1.00 3.11 C ATOM 879 CG2 VAL A 58 0.651 0.251 -3.544 1.00 24.11 C ATOM 0 H VAL A 58 -1.318 0.482 -5.649 1.00 62.20 H new ATOM 0 HA VAL A 58 -0.131 -1.993 -4.899 1.00 21.13 H new ATOM 0 HB VAL A 58 -1.486 0.169 -3.240 1.00 41.23 H new ATOM 0 HG11 VAL A 58 -0.370 -0.835 -1.252 1.00 3.11 H new ATOM 0 HG12 VAL A 58 -1.560 -1.940 -1.981 1.00 3.11 H new ATOM 0 HG13 VAL A 58 0.179 -2.194 -2.261 1.00 3.11 H new ATOM 0 HG21 VAL A 58 0.854 0.813 -2.632 1.00 24.11 H new ATOM 0 HG22 VAL A 58 1.470 -0.443 -3.732 1.00 24.11 H new ATOM 0 HG23 VAL A 58 0.561 0.941 -4.383 1.00 24.11 H new ATOM 889 N ILE A 59 -3.450 -1.677 -4.502 1.00 54.35 N ATOM 890 CA ILE A 59 -4.725 -2.429 -4.371 1.00 44.11 C ATOM 891 C ILE A 59 -4.846 -3.488 -5.503 1.00 63.43 C ATOM 892 O ILE A 59 -5.194 -4.636 -5.242 1.00 23.32 O ATOM 893 CB ILE A 59 -5.976 -1.466 -4.402 1.00 53.44 C ATOM 894 CG1 ILE A 59 -5.884 -0.411 -3.247 1.00 43.13 C ATOM 895 CG2 ILE A 59 -7.314 -2.257 -4.320 1.00 24.21 C ATOM 896 CD1 ILE A 59 -7.003 0.621 -3.218 1.00 1.41 C ATOM 0 H ILE A 59 -3.576 -0.674 -4.636 1.00 54.35 H new ATOM 0 HA ILE A 59 -4.711 -2.932 -3.404 1.00 44.11 H new ATOM 0 HB ILE A 59 -5.966 -0.941 -5.357 1.00 53.44 H new ATOM 0 HG12 ILE A 59 -5.875 -0.940 -2.294 1.00 43.13 H new ATOM 0 HG13 ILE A 59 -4.931 0.112 -3.330 1.00 43.13 H new ATOM 0 HG21 ILE A 59 -8.151 -1.559 -4.344 1.00 24.21 H new ATOM 0 HG22 ILE A 59 -7.386 -2.939 -5.167 1.00 24.21 H new ATOM 0 HG23 ILE A 59 -7.343 -2.827 -3.391 1.00 24.21 H new ATOM 0 HD11 ILE A 59 -6.847 1.304 -2.383 1.00 1.41 H new ATOM 0 HD12 ILE A 59 -7.003 1.184 -4.151 1.00 1.41 H new ATOM 0 HD13 ILE A 59 -7.961 0.115 -3.099 1.00 1.41 H new ATOM 908 N ASP A 60 -4.511 -3.072 -6.743 1.00 71.42 N ATOM 909 CA ASP A 60 -4.490 -3.954 -7.938 1.00 43.04 C ATOM 910 C ASP A 60 -3.503 -5.138 -7.769 1.00 35.55 C ATOM 911 O ASP A 60 -3.818 -6.272 -8.137 1.00 64.03 O ATOM 912 CB ASP A 60 -4.121 -3.139 -9.208 1.00 14.22 C ATOM 913 CG ASP A 60 -5.125 -2.023 -9.547 1.00 40.43 C ATOM 914 OD1 ASP A 60 -6.346 -2.271 -9.477 1.00 22.20 O ATOM 915 OD2 ASP A 60 -4.695 -0.914 -9.944 1.00 75.33 O ATOM 0 H ASP A 60 -4.245 -2.109 -6.948 1.00 71.42 H new ATOM 0 HA ASP A 60 -5.492 -4.368 -8.050 1.00 43.04 H new ATOM 0 HB2 ASP A 60 -3.134 -2.697 -9.070 1.00 14.22 H new ATOM 0 HB3 ASP A 60 -4.049 -3.820 -10.056 1.00 14.22 H new ATOM 920 N TYR A 61 -2.318 -4.845 -7.210 1.00 73.30 N ATOM 921 CA TYR A 61 -1.302 -5.866 -6.856 1.00 15.21 C ATOM 922 C TYR A 61 -1.874 -6.917 -5.869 1.00 72.51 C ATOM 923 O TYR A 61 -1.685 -8.126 -6.049 1.00 53.41 O ATOM 924 CB TYR A 61 -0.044 -5.165 -6.252 1.00 21.15 C ATOM 925 CG TYR A 61 0.918 -6.105 -5.492 1.00 43.41 C ATOM 926 CD1 TYR A 61 1.781 -6.959 -6.179 1.00 64.22 C ATOM 927 CD2 TYR A 61 0.915 -6.167 -4.093 1.00 62.22 C ATOM 928 CE1 TYR A 61 2.600 -7.839 -5.502 1.00 60.11 C ATOM 929 CE2 TYR A 61 1.742 -7.034 -3.420 1.00 73.24 C ATOM 930 CZ TYR A 61 2.576 -7.871 -4.125 1.00 74.11 C ATOM 931 OH TYR A 61 3.367 -8.768 -3.446 1.00 35.22 O ATOM 0 H TYR A 61 -2.031 -3.892 -6.988 1.00 73.30 H new ATOM 0 HA TYR A 61 -1.015 -6.398 -7.763 1.00 15.21 H new ATOM 0 HB2 TYR A 61 0.506 -4.679 -7.058 1.00 21.15 H new ATOM 0 HB3 TYR A 61 -0.374 -4.379 -5.573 1.00 21.15 H new ATOM 0 HD1 TYR A 61 1.808 -6.931 -7.258 1.00 64.22 H new ATOM 0 HD2 TYR A 61 0.252 -5.523 -3.534 1.00 62.22 H new ATOM 0 HE1 TYR A 61 3.257 -8.499 -6.049 1.00 60.11 H new ATOM 0 HE2 TYR A 61 1.737 -7.058 -2.340 1.00 73.24 H new ATOM 0 HH TYR A 61 3.879 -9.304 -4.087 1.00 35.22 H new ATOM 941 N ILE A 62 -2.554 -6.425 -4.823 1.00 1.03 N ATOM 942 CA ILE A 62 -3.171 -7.284 -3.793 1.00 42.53 C ATOM 943 C ILE A 62 -4.322 -8.131 -4.411 1.00 72.10 C ATOM 944 O ILE A 62 -4.493 -9.285 -4.046 1.00 55.24 O ATOM 945 CB ILE A 62 -3.685 -6.431 -2.559 1.00 70.23 C ATOM 946 CG1 ILE A 62 -2.520 -5.577 -1.942 1.00 32.34 C ATOM 947 CG2 ILE A 62 -4.316 -7.328 -1.467 1.00 44.11 C ATOM 948 CD1 ILE A 62 -2.945 -4.578 -0.867 1.00 11.22 C ATOM 0 H ILE A 62 -2.693 -5.427 -4.665 1.00 1.03 H new ATOM 0 HA ILE A 62 -2.407 -7.965 -3.419 1.00 42.53 H new ATOM 0 HB ILE A 62 -4.456 -5.758 -2.934 1.00 70.23 H new ATOM 0 HG12 ILE A 62 -1.781 -6.255 -1.514 1.00 32.34 H new ATOM 0 HG13 ILE A 62 -2.025 -5.033 -2.746 1.00 32.34 H new ATOM 0 HG21 ILE A 62 -4.656 -6.707 -0.638 1.00 44.11 H new ATOM 0 HG22 ILE A 62 -5.164 -7.870 -1.886 1.00 44.11 H new ATOM 0 HG23 ILE A 62 -3.573 -8.039 -1.106 1.00 44.11 H new ATOM 0 HD11 ILE A 62 -2.070 -4.039 -0.505 1.00 11.22 H new ATOM 0 HD12 ILE A 62 -3.658 -3.870 -1.290 1.00 11.22 H new ATOM 0 HD13 ILE A 62 -3.411 -5.111 -0.038 1.00 11.22 H new ATOM 960 N LEU A 63 -5.072 -7.554 -5.381 1.00 13.52 N ATOM 961 CA LEU A 63 -6.151 -8.274 -6.116 1.00 51.20 C ATOM 962 C LEU A 63 -5.605 -9.520 -6.863 1.00 62.15 C ATOM 963 O LEU A 63 -6.233 -10.579 -6.850 1.00 32.53 O ATOM 964 CB LEU A 63 -6.869 -7.329 -7.125 1.00 3.15 C ATOM 965 CG LEU A 63 -7.701 -6.158 -6.510 1.00 2.44 C ATOM 966 CD1 LEU A 63 -8.312 -5.262 -7.615 1.00 4.31 C ATOM 967 CD2 LEU A 63 -8.785 -6.684 -5.536 1.00 1.11 C ATOM 0 H LEU A 63 -4.951 -6.585 -5.677 1.00 13.52 H new ATOM 0 HA LEU A 63 -6.872 -8.610 -5.370 1.00 51.20 H new ATOM 0 HB2 LEU A 63 -6.116 -6.902 -7.788 1.00 3.15 H new ATOM 0 HB3 LEU A 63 -7.534 -7.932 -7.744 1.00 3.15 H new ATOM 0 HG LEU A 63 -7.018 -5.538 -5.929 1.00 2.44 H new ATOM 0 HD11 LEU A 63 -8.885 -4.457 -7.155 1.00 4.31 H new ATOM 0 HD12 LEU A 63 -7.513 -4.838 -8.223 1.00 4.31 H new ATOM 0 HD13 LEU A 63 -8.969 -5.860 -8.246 1.00 4.31 H new ATOM 0 HD21 LEU A 63 -9.345 -5.843 -5.126 1.00 1.11 H new ATOM 0 HD22 LEU A 63 -9.465 -7.346 -6.072 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -8.309 -7.233 -4.724 1.00 1.11 H new ATOM 979 N ASP A 64 -4.420 -9.373 -7.492 1.00 74.34 N ATOM 980 CA ASP A 64 -3.697 -10.489 -8.156 1.00 70.35 C ATOM 981 C ASP A 64 -3.420 -11.663 -7.176 1.00 14.12 C ATOM 982 O ASP A 64 -3.448 -12.837 -7.565 1.00 53.35 O ATOM 983 CB ASP A 64 -2.362 -9.963 -8.765 1.00 3.53 C ATOM 984 CG ASP A 64 -2.529 -8.941 -9.916 1.00 64.12 C ATOM 985 OD1 ASP A 64 -3.639 -8.396 -10.121 1.00 2.10 O ATOM 986 OD2 ASP A 64 -1.537 -8.684 -10.631 1.00 42.14 O ATOM 0 H ASP A 64 -3.934 -8.479 -7.556 1.00 74.34 H new ATOM 0 HA ASP A 64 -4.333 -10.875 -8.953 1.00 70.35 H new ATOM 0 HB2 ASP A 64 -1.774 -9.502 -7.971 1.00 3.53 H new ATOM 0 HB3 ASP A 64 -1.788 -10.813 -9.134 1.00 3.53 H new ATOM 991 N LEU A 65 -3.167 -11.316 -5.906 1.00 14.33 N ATOM 992 CA LEU A 65 -2.872 -12.296 -4.830 1.00 52.13 C ATOM 993 C LEU A 65 -4.162 -12.891 -4.201 1.00 12.13 C ATOM 994 O LEU A 65 -4.175 -14.048 -3.770 1.00 30.32 O ATOM 995 CB LEU A 65 -2.024 -11.607 -3.729 1.00 63.03 C ATOM 996 CG LEU A 65 -0.722 -10.894 -4.218 1.00 72.11 C ATOM 997 CD1 LEU A 65 0.035 -10.247 -3.039 1.00 34.20 C ATOM 998 CD2 LEU A 65 0.187 -11.864 -5.013 1.00 23.14 C ATOM 0 H LEU A 65 -3.159 -10.347 -5.587 1.00 14.33 H new ATOM 0 HA LEU A 65 -2.319 -13.122 -5.277 1.00 52.13 H new ATOM 0 HB2 LEU A 65 -2.649 -10.872 -3.222 1.00 63.03 H new ATOM 0 HB3 LEU A 65 -1.748 -12.357 -2.987 1.00 63.03 H new ATOM 0 HG LEU A 65 -1.017 -10.094 -4.898 1.00 72.11 H new ATOM 0 HD11 LEU A 65 0.936 -9.759 -3.409 1.00 34.20 H new ATOM 0 HD12 LEU A 65 -0.606 -9.509 -2.557 1.00 34.20 H new ATOM 0 HD13 LEU A 65 0.310 -11.016 -2.317 1.00 34.20 H new ATOM 0 HD21 LEU A 65 1.084 -11.337 -5.339 1.00 23.14 H new ATOM 0 HD22 LEU A 65 0.470 -12.702 -4.376 1.00 23.14 H new ATOM 0 HD23 LEU A 65 -0.352 -12.236 -5.884 1.00 23.14 H new ATOM 1010 N GLN A 66 -5.231 -12.075 -4.136 1.00 12.04 N ATOM 1011 CA GLN A 66 -6.516 -12.462 -3.495 1.00 14.50 C ATOM 1012 C GLN A 66 -7.444 -13.221 -4.477 1.00 73.11 C ATOM 1013 O GLN A 66 -7.676 -14.425 -4.324 1.00 4.23 O ATOM 1014 CB GLN A 66 -7.256 -11.214 -2.914 1.00 71.24 C ATOM 1015 CG GLN A 66 -6.463 -10.399 -1.866 1.00 73.02 C ATOM 1016 CD GLN A 66 -5.975 -11.207 -0.653 1.00 1.53 C ATOM 1017 OE1 GLN A 66 -6.591 -12.179 -0.238 1.00 61.22 O ATOM 1018 NE2 GLN A 66 -4.869 -10.793 -0.064 1.00 23.31 N ATOM 0 H GLN A 66 -5.235 -11.131 -4.523 1.00 12.04 H new ATOM 0 HA GLN A 66 -6.269 -13.136 -2.674 1.00 14.50 H new ATOM 0 HB2 GLN A 66 -7.520 -10.553 -3.739 1.00 71.24 H new ATOM 0 HB3 GLN A 66 -8.190 -11.546 -2.460 1.00 71.24 H new ATOM 0 HG2 GLN A 66 -5.600 -9.948 -2.355 1.00 73.02 H new ATOM 0 HG3 GLN A 66 -7.091 -9.582 -1.511 1.00 73.02 H new ATOM 0 HE21 GLN A 66 -4.371 -9.980 -0.427 1.00 23.31 H new ATOM 0 HE22 GLN A 66 -4.512 -11.286 0.754 1.00 23.31 H new ATOM 1431 N ASP B 27 -11.372 12.717 -1.491 1.00 52.34 N ATOM 1432 CA ASP B 27 -10.035 12.255 -1.860 1.00 2.10 C ATOM 1433 C ASP B 27 -10.034 10.750 -2.182 1.00 73.41 C ATOM 1434 O ASP B 27 -10.256 9.911 -1.301 1.00 2.12 O ATOM 1435 CB ASP B 27 -9.007 12.579 -0.755 1.00 74.30 C ATOM 1436 CG ASP B 27 -8.906 14.081 -0.488 1.00 21.32 C ATOM 1437 OD1 ASP B 27 -8.153 14.770 -1.207 1.00 32.41 O ATOM 1438 OD2 ASP B 27 -9.584 14.579 0.435 1.00 42.23 O ATOM 0 HA ASP B 27 -9.740 12.792 -2.762 1.00 2.10 H new ATOM 0 HB2 ASP B 27 -9.289 12.066 0.164 1.00 74.30 H new ATOM 0 HB3 ASP B 27 -8.029 12.196 -1.046 1.00 74.30 H new ATOM 1443 N ASP B 28 -9.853 10.450 -3.475 1.00 41.32 N ATOM 1444 CA ASP B 28 -9.592 9.075 -3.972 1.00 55.13 C ATOM 1445 C ASP B 28 -8.434 8.412 -3.171 1.00 61.12 C ATOM 1446 O ASP B 28 -8.476 7.220 -2.861 1.00 41.10 O ATOM 1447 CB ASP B 28 -9.236 9.138 -5.484 1.00 54.20 C ATOM 1448 CG ASP B 28 -9.185 7.752 -6.150 1.00 61.03 C ATOM 1449 OD1 ASP B 28 -8.115 7.100 -6.137 1.00 33.21 O ATOM 1450 OD2 ASP B 28 -10.228 7.303 -6.667 1.00 22.34 O ATOM 0 H ASP B 28 -9.882 11.151 -4.216 1.00 41.32 H new ATOM 0 HA ASP B 28 -10.487 8.468 -3.834 1.00 55.13 H new ATOM 0 HB2 ASP B 28 -9.972 9.755 -5.999 1.00 54.20 H new ATOM 0 HB3 ASP B 28 -8.270 9.628 -5.604 1.00 54.20 H new ATOM 1455 N MET B 29 -7.420 9.231 -2.842 1.00 41.41 N ATOM 1456 CA MET B 29 -6.318 8.873 -1.925 1.00 60.41 C ATOM 1457 C MET B 29 -6.833 8.361 -0.548 1.00 32.12 C ATOM 1458 O MET B 29 -6.425 7.292 -0.097 1.00 62.00 O ATOM 1459 CB MET B 29 -5.373 10.108 -1.751 1.00 3.23 C ATOM 1460 CG MET B 29 -4.433 10.055 -0.531 1.00 12.02 C ATOM 1461 SD MET B 29 -3.043 11.196 -0.642 1.00 44.41 S ATOM 1462 CE MET B 29 -2.058 10.389 -1.897 1.00 21.35 C ATOM 0 H MET B 29 -7.340 10.178 -3.212 1.00 41.41 H new ATOM 0 HA MET B 29 -5.762 8.046 -2.366 1.00 60.41 H new ATOM 0 HB2 MET B 29 -4.767 10.210 -2.651 1.00 3.23 H new ATOM 0 HB3 MET B 29 -5.987 11.006 -1.677 1.00 3.23 H new ATOM 0 HG2 MET B 29 -5.006 10.280 0.369 1.00 12.02 H new ATOM 0 HG3 MET B 29 -4.051 9.040 -0.421 1.00 12.02 H new ATOM 0 HE1 MET B 29 -1.056 10.203 -1.510 1.00 21.35 H new ATOM 0 HE2 MET B 29 -2.523 9.442 -2.171 1.00 21.35 H new ATOM 0 HE3 MET B 29 -1.994 11.029 -2.777 1.00 21.35 H new ATOM 1472 N ASN B 30 -7.740 9.131 0.084 1.00 63.32 N ATOM 1473 CA ASN B 30 -8.278 8.822 1.440 1.00 55.00 C ATOM 1474 C ASN B 30 -9.131 7.520 1.423 1.00 3.10 C ATOM 1475 O ASN B 30 -9.033 6.684 2.330 1.00 52.12 O ATOM 1476 CB ASN B 30 -9.118 10.038 1.946 1.00 24.53 C ATOM 1477 CG ASN B 30 -9.456 10.013 3.446 1.00 73.33 C ATOM 1478 OD1 ASN B 30 -9.551 8.969 4.072 1.00 4.51 O ATOM 1479 ND2 ASN B 30 -9.653 11.177 4.032 1.00 3.24 N ATOM 0 H ASN B 30 -8.125 9.984 -0.322 1.00 63.32 H new ATOM 0 HA ASN B 30 -7.447 8.651 2.124 1.00 55.00 H new ATOM 0 HB2 ASN B 30 -8.571 10.955 1.727 1.00 24.53 H new ATOM 0 HB3 ASN B 30 -10.048 10.079 1.380 1.00 24.53 H new ATOM 0 HD21 ASN B 30 -9.889 11.215 5.024 1.00 3.24 H new ATOM 0 HD22 ASN B 30 -9.570 12.039 3.494 1.00 3.24 H new ATOM 1486 N HIS B 31 -9.949 7.362 0.368 1.00 4.04 N ATOM 1487 CA HIS B 31 -10.833 6.185 0.192 1.00 43.42 C ATOM 1488 C HIS B 31 -9.998 4.891 -0.049 1.00 3.24 C ATOM 1489 O HIS B 31 -10.310 3.817 0.491 1.00 2.03 O ATOM 1490 CB HIS B 31 -11.820 6.446 -0.980 1.00 45.34 C ATOM 1491 CG HIS B 31 -13.043 5.555 -0.965 1.00 0.23 C ATOM 1492 ND1 HIS B 31 -13.103 4.387 -1.688 1.00 21.30 N ATOM 1493 CD2 HIS B 31 -14.215 5.706 -0.286 1.00 32.44 C ATOM 1494 CE1 HIS B 31 -14.287 3.860 -1.436 1.00 24.25 C ATOM 1495 NE2 HIS B 31 -14.992 4.622 -0.594 1.00 21.21 N ATOM 0 H HIS B 31 -10.020 8.043 -0.388 1.00 4.04 H new ATOM 0 HA HIS B 31 -11.408 6.033 1.106 1.00 43.42 H new ATOM 0 HB2 HIS B 31 -12.141 7.487 -0.946 1.00 45.34 H new ATOM 0 HB3 HIS B 31 -11.293 6.306 -1.924 1.00 45.34 H new ATOM 0 HD2 HIS B 31 -14.480 6.523 0.369 1.00 32.44 H new ATOM 0 HE1 HIS B 31 -14.641 2.931 -1.857 1.00 24.25 H new ATOM 0 HE2 HIS B 31 -15.932 4.432 -0.246 1.00 21.21 H new ATOM 1503 N CYS B 32 -8.928 5.030 -0.861 1.00 61.11 N ATOM 1504 CA CYS B 32 -7.941 3.951 -1.120 1.00 52.02 C ATOM 1505 C CYS B 32 -7.158 3.567 0.163 1.00 41.01 C ATOM 1506 O CYS B 32 -6.896 2.389 0.398 1.00 34.13 O ATOM 1507 CB CYS B 32 -6.950 4.362 -2.243 1.00 11.13 C ATOM 1508 SG CYS B 32 -7.704 4.528 -3.892 1.00 44.20 S ATOM 0 H CYS B 32 -8.721 5.896 -1.359 1.00 61.11 H new ATOM 0 HA CYS B 32 -8.503 3.077 -1.447 1.00 52.02 H new ATOM 0 HB2 CYS B 32 -6.487 5.311 -1.972 1.00 11.13 H new ATOM 0 HB3 CYS B 32 -6.152 3.621 -2.295 1.00 11.13 H new ATOM 0 HG CYS B 32 -8.250 5.703 -4.003 1.00 44.20 H new ATOM 1514 N TYR B 33 -6.794 4.581 0.980 1.00 4.13 N ATOM 1515 CA TYR B 33 -6.099 4.389 2.290 1.00 24.23 C ATOM 1516 C TYR B 33 -6.920 3.509 3.258 1.00 13.32 C ATOM 1517 O TYR B 33 -6.368 2.645 3.959 1.00 43.15 O ATOM 1518 CB TYR B 33 -5.800 5.768 2.962 1.00 21.43 C ATOM 1519 CG TYR B 33 -4.385 6.306 2.709 1.00 65.21 C ATOM 1520 CD1 TYR B 33 -3.276 5.554 3.087 1.00 52.43 C ATOM 1521 CD2 TYR B 33 -4.153 7.563 2.146 1.00 43.52 C ATOM 1522 CE1 TYR B 33 -2.003 6.028 2.914 1.00 44.32 C ATOM 1523 CE2 TYR B 33 -2.872 8.035 1.967 1.00 44.45 C ATOM 1524 CZ TYR B 33 -1.805 7.270 2.351 1.00 74.42 C ATOM 1525 OH TYR B 33 -0.532 7.755 2.182 1.00 32.25 O ATOM 0 H TYR B 33 -6.971 5.560 0.756 1.00 4.13 H new ATOM 0 HA TYR B 33 -5.161 3.875 2.080 1.00 24.23 H new ATOM 0 HB2 TYR B 33 -6.523 6.499 2.600 1.00 21.43 H new ATOM 0 HB3 TYR B 33 -5.953 5.675 4.037 1.00 21.43 H new ATOM 0 HD1 TYR B 33 -3.423 4.578 3.525 1.00 52.43 H new ATOM 0 HD2 TYR B 33 -4.991 8.174 1.846 1.00 43.52 H new ATOM 0 HE1 TYR B 33 -1.157 5.430 3.218 1.00 44.32 H new ATOM 0 HE2 TYR B 33 -2.710 9.007 1.525 1.00 44.45 H new ATOM 0 HH TYR B 33 -0.571 8.713 1.978 1.00 32.25 H new ATOM 1535 N SER B 34 -8.230 3.785 3.309 1.00 1.00 N ATOM 1536 CA SER B 34 -9.192 3.012 4.117 1.00 53.11 C ATOM 1537 C SER B 34 -9.193 1.524 3.695 1.00 62.44 C ATOM 1538 O SER B 34 -9.151 0.636 4.542 1.00 35.25 O ATOM 1539 CB SER B 34 -10.610 3.619 3.972 1.00 42.42 C ATOM 1540 OG SER B 34 -10.622 4.991 4.345 1.00 51.51 O ATOM 0 H SER B 34 -8.657 4.553 2.790 1.00 1.00 H new ATOM 0 HA SER B 34 -8.890 3.065 5.163 1.00 53.11 H new ATOM 0 HB2 SER B 34 -10.949 3.517 2.941 1.00 42.42 H new ATOM 0 HB3 SER B 34 -11.312 3.064 4.595 1.00 42.42 H new ATOM 0 HG SER B 34 -10.150 5.518 3.667 1.00 51.51 H new ATOM 1546 N ARG B 35 -9.191 1.284 2.364 1.00 63.12 N ATOM 1547 CA ARG B 35 -9.227 -0.075 1.779 1.00 40.41 C ATOM 1548 C ARG B 35 -7.897 -0.839 2.020 1.00 43.55 C ATOM 1549 O ARG B 35 -7.911 -2.064 2.193 1.00 23.24 O ATOM 1550 CB ARG B 35 -9.577 0.017 0.252 1.00 10.12 C ATOM 1551 CG ARG B 35 -10.494 -1.117 -0.267 1.00 54.22 C ATOM 1552 CD ARG B 35 -9.778 -2.461 -0.465 1.00 23.35 C ATOM 1553 NE ARG B 35 -10.735 -3.563 -0.696 1.00 10.31 N ATOM 1554 CZ ARG B 35 -10.825 -4.301 -1.781 1.00 34.42 C ATOM 1555 NH1 ARG B 35 -10.053 -4.106 -2.808 1.00 20.14 N ATOM 1556 NH2 ARG B 35 -11.712 -5.244 -1.837 1.00 10.45 N ATOM 0 H ARG B 35 -9.164 2.027 1.666 1.00 63.12 H new ATOM 0 HA ARG B 35 -10.006 -0.649 2.280 1.00 40.41 H new ATOM 0 HB2 ARG B 35 -10.061 0.975 0.060 1.00 10.12 H new ATOM 0 HB3 ARG B 35 -8.650 0.008 -0.321 1.00 10.12 H new ATOM 0 HG2 ARG B 35 -11.316 -1.255 0.436 1.00 54.22 H new ATOM 0 HG3 ARG B 35 -10.934 -0.809 -1.215 1.00 54.22 H new ATOM 0 HD2 ARG B 35 -9.096 -2.388 -1.312 1.00 23.35 H new ATOM 0 HD3 ARG B 35 -9.173 -2.683 0.414 1.00 23.35 H new ATOM 0 HE ARG B 35 -11.389 -3.771 0.059 1.00 10.31 H new ATOM 0 HH11 ARG B 35 -9.353 -3.364 -2.787 1.00 20.14 H new ATOM 0 HH12 ARG B 35 -10.147 -4.695 -3.636 1.00 20.14 H new ATOM 0 HH21 ARG B 35 -12.332 -5.408 -1.044 1.00 10.45 H new ATOM 0 HH22 ARG B 35 -11.790 -5.822 -2.674 1.00 10.45 H new ATOM 1570 N LEU B 36 -6.758 -0.109 2.022 1.00 2.42 N ATOM 1571 CA LEU B 36 -5.441 -0.688 2.377 1.00 63.43 C ATOM 1572 C LEU B 36 -5.493 -1.304 3.790 1.00 24.24 C ATOM 1573 O LEU B 36 -5.181 -2.476 3.978 1.00 72.24 O ATOM 1574 CB LEU B 36 -4.317 0.381 2.328 1.00 52.14 C ATOM 1575 CG LEU B 36 -4.008 1.025 0.943 1.00 11.05 C ATOM 1576 CD1 LEU B 36 -2.845 2.035 1.054 1.00 0.41 C ATOM 1577 CD2 LEU B 36 -3.728 -0.046 -0.145 1.00 73.21 C ATOM 0 H LEU B 36 -6.724 0.882 1.782 1.00 2.42 H new ATOM 0 HA LEU B 36 -5.215 -1.462 1.643 1.00 63.43 H new ATOM 0 HB2 LEU B 36 -4.580 1.180 3.021 1.00 52.14 H new ATOM 0 HB3 LEU B 36 -3.400 -0.075 2.701 1.00 52.14 H new ATOM 0 HG LEU B 36 -4.899 1.569 0.628 1.00 11.05 H new ATOM 0 HD11 LEU B 36 -2.647 2.472 0.075 1.00 0.41 H new ATOM 0 HD12 LEU B 36 -3.114 2.824 1.756 1.00 0.41 H new ATOM 0 HD13 LEU B 36 -1.951 1.523 1.410 1.00 0.41 H new ATOM 0 HD21 LEU B 36 -3.517 0.446 -1.094 1.00 73.21 H new ATOM 0 HD22 LEU B 36 -2.869 -0.648 0.150 1.00 73.21 H new ATOM 0 HD23 LEU B 36 -4.601 -0.689 -0.256 1.00 73.21 H new ATOM 1589 N ARG B 37 -5.961 -0.486 4.754 1.00 51.54 N ATOM 1590 CA ARG B 37 -6.125 -0.869 6.175 1.00 42.03 C ATOM 1591 C ARG B 37 -6.966 -2.166 6.357 1.00 62.32 C ATOM 1592 O ARG B 37 -6.740 -2.940 7.295 1.00 72.51 O ATOM 1593 CB ARG B 37 -6.797 0.298 6.923 1.00 3.03 C ATOM 1594 CG ARG B 37 -6.782 0.151 8.454 1.00 52.54 C ATOM 1595 CD ARG B 37 -7.672 1.177 9.142 1.00 40.00 C ATOM 1596 NE ARG B 37 -9.078 1.008 8.736 1.00 50.33 N ATOM 1597 CZ ARG B 37 -10.056 1.848 8.973 1.00 4.03 C ATOM 1598 NH1 ARG B 37 -9.865 2.948 9.628 1.00 23.33 N ATOM 1599 NH2 ARG B 37 -11.236 1.564 8.546 1.00 70.11 N ATOM 0 H ARG B 37 -6.241 0.477 4.566 1.00 51.54 H new ATOM 0 HA ARG B 37 -5.136 -1.078 6.583 1.00 42.03 H new ATOM 0 HB2 ARG B 37 -6.295 1.227 6.653 1.00 3.03 H new ATOM 0 HB3 ARG B 37 -7.830 0.385 6.587 1.00 3.03 H new ATOM 0 HG2 ARG B 37 -7.112 -0.852 8.724 1.00 52.54 H new ATOM 0 HG3 ARG B 37 -5.760 0.258 8.817 1.00 52.54 H new ATOM 0 HD2 ARG B 37 -7.586 1.072 10.224 1.00 40.00 H new ATOM 0 HD3 ARG B 37 -7.335 2.183 8.892 1.00 40.00 H new ATOM 0 HE ARG B 37 -9.312 0.158 8.223 1.00 50.33 H new ATOM 0 HH11 ARG B 37 -8.934 3.180 9.975 1.00 23.33 H new ATOM 0 HH12 ARG B 37 -10.645 3.583 9.797 1.00 23.33 H new ATOM 0 HH21 ARG B 37 -11.398 0.698 8.033 1.00 70.11 H new ATOM 0 HH22 ARG B 37 -12.010 2.205 8.721 1.00 70.11 H new ATOM 1613 N GLU B 38 -7.918 -2.394 5.428 1.00 4.14 N ATOM 1614 CA GLU B 38 -8.838 -3.557 5.482 1.00 50.13 C ATOM 1615 C GLU B 38 -8.132 -4.839 4.996 1.00 3.24 C ATOM 1616 O GLU B 38 -8.334 -5.925 5.549 1.00 11.10 O ATOM 1617 CB GLU B 38 -10.102 -3.291 4.617 1.00 72.23 C ATOM 1618 CG GLU B 38 -10.863 -1.994 4.949 1.00 51.23 C ATOM 1619 CD GLU B 38 -11.277 -1.865 6.427 1.00 32.42 C ATOM 1620 OE1 GLU B 38 -12.204 -2.584 6.858 1.00 62.11 O ATOM 1621 OE2 GLU B 38 -10.692 -1.033 7.163 1.00 41.32 O ATOM 0 H GLU B 38 -8.073 -1.785 4.625 1.00 4.14 H new ATOM 0 HA GLU B 38 -9.141 -3.698 6.520 1.00 50.13 H new ATOM 0 HB2 GLU B 38 -9.805 -3.261 3.569 1.00 72.23 H new ATOM 0 HB3 GLU B 38 -10.785 -4.133 4.731 1.00 72.23 H new ATOM 0 HG2 GLU B 38 -10.238 -1.141 4.683 1.00 51.23 H new ATOM 0 HG3 GLU B 38 -11.757 -1.941 4.327 1.00 51.23 H new ATOM 1628 N LEU B 39 -7.301 -4.689 3.949 1.00 64.21 N ATOM 1629 CA LEU B 39 -6.534 -5.804 3.348 1.00 54.20 C ATOM 1630 C LEU B 39 -5.287 -6.172 4.194 1.00 52.12 C ATOM 1631 O LEU B 39 -4.733 -7.266 4.041 1.00 35.21 O ATOM 1632 CB LEU B 39 -6.129 -5.432 1.895 1.00 63.12 C ATOM 1633 CG LEU B 39 -7.323 -5.192 0.905 1.00 14.30 C ATOM 1634 CD1 LEU B 39 -6.830 -4.710 -0.479 1.00 11.31 C ATOM 1635 CD2 LEU B 39 -8.218 -6.457 0.778 1.00 32.31 C ATOM 0 H LEU B 39 -7.140 -3.791 3.492 1.00 64.21 H new ATOM 0 HA LEU B 39 -7.173 -6.687 3.329 1.00 54.20 H new ATOM 0 HB2 LEU B 39 -5.518 -4.530 1.926 1.00 63.12 H new ATOM 0 HB3 LEU B 39 -5.502 -6.229 1.495 1.00 63.12 H new ATOM 0 HG LEU B 39 -7.936 -4.395 1.326 1.00 14.30 H new ATOM 0 HD11 LEU B 39 -7.686 -4.555 -1.136 1.00 11.31 H new ATOM 0 HD12 LEU B 39 -6.285 -3.773 -0.365 1.00 11.31 H new ATOM 0 HD13 LEU B 39 -6.171 -5.462 -0.913 1.00 11.31 H new ATOM 0 HD21 LEU B 39 -9.035 -6.256 0.085 1.00 32.31 H new ATOM 0 HD22 LEU B 39 -7.621 -7.289 0.404 1.00 32.31 H new ATOM 0 HD23 LEU B 39 -8.626 -6.714 1.756 1.00 32.31 H new ATOM 1647 N VAL B 40 -4.865 -5.252 5.088 1.00 55.02 N ATOM 1648 CA VAL B 40 -3.708 -5.464 6.000 1.00 20.52 C ATOM 1649 C VAL B 40 -4.174 -5.921 7.417 1.00 71.32 C ATOM 1650 O VAL B 40 -4.722 -5.111 8.179 1.00 60.13 O ATOM 1651 CB VAL B 40 -2.832 -4.153 6.133 1.00 62.22 C ATOM 1652 CG1 VAL B 40 -1.594 -4.378 7.040 1.00 71.14 C ATOM 1653 CG2 VAL B 40 -2.414 -3.636 4.737 1.00 62.23 C ATOM 0 H VAL B 40 -5.312 -4.342 5.202 1.00 55.02 H new ATOM 0 HA VAL B 40 -3.100 -6.253 5.558 1.00 20.52 H new ATOM 0 HB VAL B 40 -3.446 -3.391 6.613 1.00 62.22 H new ATOM 0 HG11 VAL B 40 -1.019 -3.455 7.106 1.00 71.14 H new ATOM 0 HG12 VAL B 40 -1.922 -4.673 8.037 1.00 71.14 H new ATOM 0 HG13 VAL B 40 -0.970 -5.165 6.616 1.00 71.14 H new ATOM 0 HG21 VAL B 40 -1.812 -2.734 4.848 1.00 62.23 H new ATOM 0 HG22 VAL B 40 -1.830 -4.401 4.226 1.00 62.23 H new ATOM 0 HG23 VAL B 40 -3.305 -3.408 4.152 1.00 62.23 H new ATOM 1663 N PRO B 41 -3.963 -7.231 7.803 1.00 24.41 N ATOM 1664 CA PRO B 41 -4.279 -7.728 9.174 1.00 55.21 C ATOM 1665 C PRO B 41 -3.272 -7.218 10.243 1.00 64.20 C ATOM 1666 O PRO B 41 -3.536 -7.316 11.444 1.00 54.31 O ATOM 1667 CB PRO B 41 -4.194 -9.268 9.010 1.00 54.50 C ATOM 1668 CG PRO B 41 -3.192 -9.463 7.914 1.00 53.31 C ATOM 1669 CD PRO B 41 -3.428 -8.327 6.941 1.00 51.12 C ATOM 0 HA PRO B 41 -5.247 -7.377 9.531 1.00 55.21 H new ATOM 0 HB2 PRO B 41 -3.874 -9.750 9.934 1.00 54.50 H new ATOM 0 HB3 PRO B 41 -5.162 -9.695 8.746 1.00 54.50 H new ATOM 0 HG2 PRO B 41 -2.175 -9.440 8.304 1.00 53.31 H new ATOM 0 HG3 PRO B 41 -3.325 -10.430 7.428 1.00 53.31 H new ATOM 0 HD2 PRO B 41 -2.506 -8.030 6.441 1.00 51.12 H new ATOM 0 HD3 PRO B 41 -4.137 -8.607 6.162 1.00 51.12 H new ATOM 1677 N GLY B 42 -2.121 -6.678 9.774 1.00 22.41 N ATOM 1678 CA GLY B 42 -1.065 -6.143 10.652 1.00 52.31 C ATOM 1679 C GLY B 42 -1.472 -4.900 11.450 1.00 51.00 C ATOM 1680 O GLY B 42 -0.853 -4.594 12.480 1.00 3.24 O ATOM 0 H GLY B 42 -1.904 -6.604 8.780 1.00 22.41 H new ATOM 0 HA2 GLY B 42 -0.760 -6.923 11.349 1.00 52.31 H new ATOM 0 HA3 GLY B 42 -0.193 -5.900 10.044 1.00 52.31 H new ATOM 1684 N VAL B 43 -2.499 -4.177 10.961 1.00 1.10 N ATOM 1685 CA VAL B 43 -3.078 -3.008 11.668 1.00 73.43 C ATOM 1686 C VAL B 43 -3.788 -3.456 12.986 1.00 61.13 C ATOM 1687 O VAL B 43 -4.672 -4.321 12.939 1.00 23.51 O ATOM 1688 CB VAL B 43 -4.100 -2.225 10.747 1.00 64.44 C ATOM 1689 CG1 VAL B 43 -4.747 -1.023 11.488 1.00 3.25 C ATOM 1690 CG2 VAL B 43 -3.416 -1.772 9.434 1.00 4.15 C ATOM 0 H VAL B 43 -2.951 -4.382 10.070 1.00 1.10 H new ATOM 0 HA VAL B 43 -2.256 -2.337 11.917 1.00 73.43 H new ATOM 0 HB VAL B 43 -4.907 -2.913 10.493 1.00 64.44 H new ATOM 0 HG11 VAL B 43 -5.441 -0.514 10.819 1.00 3.25 H new ATOM 0 HG12 VAL B 43 -5.286 -1.383 12.365 1.00 3.25 H new ATOM 0 HG13 VAL B 43 -3.969 -0.327 11.801 1.00 3.25 H new ATOM 0 HG21 VAL B 43 -4.135 -1.236 8.815 1.00 4.15 H new ATOM 0 HG22 VAL B 43 -2.578 -1.115 9.668 1.00 4.15 H new ATOM 0 HG23 VAL B 43 -3.052 -2.646 8.893 1.00 4.15 H new ATOM 1700 N PRO B 44 -3.387 -2.901 14.187 1.00 54.33 N ATOM 1701 CA PRO B 44 -4.028 -3.248 15.486 1.00 62.44 C ATOM 1702 C PRO B 44 -5.517 -2.808 15.535 1.00 31.12 C ATOM 1703 O PRO B 44 -5.811 -1.642 15.793 1.00 42.02 O ATOM 1704 CB PRO B 44 -3.159 -2.501 16.549 1.00 34.23 C ATOM 1705 CG PRO B 44 -1.889 -2.133 15.827 1.00 51.22 C ATOM 1706 CD PRO B 44 -2.283 -1.923 14.383 1.00 35.21 C ATOM 0 HA PRO B 44 -4.058 -4.324 15.660 1.00 62.44 H new ATOM 0 HB2 PRO B 44 -3.670 -1.615 16.924 1.00 34.23 H new ATOM 0 HB3 PRO B 44 -2.953 -3.138 17.409 1.00 34.23 H new ATOM 0 HG2 PRO B 44 -1.448 -1.229 16.247 1.00 51.22 H new ATOM 0 HG3 PRO B 44 -1.144 -2.924 15.918 1.00 51.22 H new ATOM 0 HD2 PRO B 44 -2.614 -0.901 14.200 1.00 35.21 H new ATOM 0 HD3 PRO B 44 -1.450 -2.115 13.706 1.00 35.21 H new ATOM 1714 N ARG B 45 -6.435 -3.760 15.245 1.00 51.41 N ATOM 1715 CA ARG B 45 -7.903 -3.517 15.168 1.00 14.23 C ATOM 1716 C ARG B 45 -8.259 -2.425 14.104 1.00 64.14 C ATOM 1717 O ARG B 45 -7.461 -2.135 13.205 1.00 41.22 O ATOM 1718 CB ARG B 45 -8.509 -3.175 16.580 1.00 64.35 C ATOM 1719 CG ARG B 45 -8.407 -4.306 17.645 1.00 23.32 C ATOM 1720 CD ARG B 45 -7.064 -4.337 18.408 1.00 44.41 C ATOM 1721 NE ARG B 45 -6.910 -3.184 19.316 1.00 2.34 N ATOM 1722 CZ ARG B 45 -5.792 -2.812 19.907 1.00 4.33 C ATOM 1723 NH1 ARG B 45 -4.659 -3.405 19.670 1.00 75.44 N ATOM 1724 NH2 ARG B 45 -5.830 -1.837 20.751 1.00 71.50 N ATOM 0 H ARG B 45 -6.179 -4.729 15.055 1.00 51.41 H new ATOM 0 HA ARG B 45 -8.364 -4.447 14.835 1.00 14.23 H new ATOM 0 HB2 ARG B 45 -8.006 -2.289 16.967 1.00 64.35 H new ATOM 0 HB3 ARG B 45 -9.560 -2.914 16.452 1.00 64.35 H new ATOM 0 HG2 ARG B 45 -9.218 -4.187 18.364 1.00 23.32 H new ATOM 0 HG3 ARG B 45 -8.555 -5.267 17.153 1.00 23.32 H new ATOM 0 HD2 ARG B 45 -6.996 -5.261 18.982 1.00 44.41 H new ATOM 0 HD3 ARG B 45 -6.242 -4.346 17.692 1.00 44.41 H new ATOM 0 HE ARG B 45 -7.743 -2.625 19.503 1.00 2.34 H new ATOM 0 HH11 ARG B 45 -4.618 -4.182 19.010 1.00 75.44 H new ATOM 0 HH12 ARG B 45 -3.811 -3.093 20.144 1.00 75.44 H new ATOM 0 HH21 ARG B 45 -6.714 -1.369 20.950 1.00 71.50 H new ATOM 0 HH22 ARG B 45 -4.976 -1.534 21.219 1.00 71.50 H new ATOM 1738 N GLY B 46 -9.473 -1.845 14.190 1.00 50.42 N ATOM 1739 CA GLY B 46 -9.875 -0.724 13.318 1.00 73.11 C ATOM 1740 C GLY B 46 -9.394 0.649 13.829 1.00 1.41 C ATOM 1741 O GLY B 46 -10.179 1.606 13.890 1.00 12.30 O ATOM 0 H GLY B 46 -10.191 -2.134 14.854 1.00 50.42 H new ATOM 0 HA2 GLY B 46 -9.478 -0.891 12.317 1.00 73.11 H new ATOM 0 HA3 GLY B 46 -10.961 -0.712 13.232 1.00 73.11 H new ATOM 1745 N THR B 47 -8.096 0.746 14.197 1.00 41.24 N ATOM 1746 CA THR B 47 -7.481 1.997 14.704 1.00 54.44 C ATOM 1747 C THR B 47 -7.125 2.951 13.542 1.00 32.44 C ATOM 1748 O THR B 47 -6.612 2.519 12.500 1.00 11.10 O ATOM 1749 CB THR B 47 -6.187 1.706 15.554 1.00 21.51 C ATOM 1750 OG1 THR B 47 -6.512 0.857 16.664 1.00 52.11 O ATOM 1751 CG2 THR B 47 -5.525 2.989 16.102 1.00 20.32 C ATOM 0 H THR B 47 -7.446 -0.038 14.151 1.00 41.24 H new ATOM 0 HA THR B 47 -8.221 2.474 15.347 1.00 54.44 H new ATOM 0 HB THR B 47 -5.479 1.222 14.881 1.00 21.51 H new ATOM 0 HG1 THR B 47 -6.150 -0.040 16.507 1.00 52.11 H new ATOM 0 HG21 THR B 47 -4.639 2.723 16.679 1.00 20.32 H new ATOM 0 HG22 THR B 47 -5.237 3.633 15.271 1.00 20.32 H new ATOM 0 HG23 THR B 47 -6.231 3.517 16.743 1.00 20.32 H new ATOM 1759 N GLN B 48 -7.415 4.251 13.737 1.00 3.34 N ATOM 1760 CA GLN B 48 -7.050 5.319 12.788 1.00 60.34 C ATOM 1761 C GLN B 48 -5.555 5.691 12.966 1.00 72.11 C ATOM 1762 O GLN B 48 -5.212 6.631 13.700 1.00 22.43 O ATOM 1763 CB GLN B 48 -7.964 6.581 12.966 1.00 51.53 C ATOM 1764 CG GLN B 48 -9.476 6.373 12.670 1.00 3.21 C ATOM 1765 CD GLN B 48 -10.222 5.500 13.696 1.00 44.22 C ATOM 1766 OE1 GLN B 48 -9.877 5.458 14.874 1.00 31.23 O ATOM 1767 NE2 GLN B 48 -11.241 4.790 13.258 1.00 34.25 N ATOM 0 H GLN B 48 -7.911 4.591 14.561 1.00 3.34 H new ATOM 0 HA GLN B 48 -7.205 4.947 11.775 1.00 60.34 H new ATOM 0 HB2 GLN B 48 -7.860 6.939 13.990 1.00 51.53 H new ATOM 0 HB3 GLN B 48 -7.591 7.370 12.313 1.00 51.53 H new ATOM 0 HG2 GLN B 48 -9.960 7.349 12.624 1.00 3.21 H new ATOM 0 HG3 GLN B 48 -9.580 5.919 11.684 1.00 3.21 H new ATOM 0 HE21 GLN B 48 -11.512 4.839 12.276 1.00 34.25 H new ATOM 0 HE22 GLN B 48 -11.759 4.191 13.901 1.00 34.25 H new ATOM 1776 N LEU B 49 -4.677 4.891 12.334 1.00 35.45 N ATOM 1777 CA LEU B 49 -3.217 5.157 12.294 1.00 31.54 C ATOM 1778 C LEU B 49 -2.908 6.372 11.389 1.00 33.22 C ATOM 1779 O LEU B 49 -3.760 6.784 10.582 1.00 4.24 O ATOM 1780 CB LEU B 49 -2.441 3.903 11.782 1.00 21.33 C ATOM 1781 CG LEU B 49 -2.631 2.576 12.596 1.00 42.14 C ATOM 1782 CD1 LEU B 49 -1.824 1.410 11.969 1.00 0.33 C ATOM 1783 CD2 LEU B 49 -2.264 2.759 14.090 1.00 3.01 C ATOM 0 H LEU B 49 -4.952 4.044 11.837 1.00 35.45 H new ATOM 0 HA LEU B 49 -2.889 5.382 13.309 1.00 31.54 H new ATOM 0 HB2 LEU B 49 -2.740 3.715 10.751 1.00 21.33 H new ATOM 0 HB3 LEU B 49 -1.378 4.144 11.767 1.00 21.33 H new ATOM 0 HG LEU B 49 -3.689 2.320 12.547 1.00 42.14 H new ATOM 0 HD11 LEU B 49 -1.977 0.505 12.556 1.00 0.33 H new ATOM 0 HD12 LEU B 49 -2.163 1.241 10.947 1.00 0.33 H new ATOM 0 HD13 LEU B 49 -0.764 1.663 11.962 1.00 0.33 H new ATOM 0 HD21 LEU B 49 -2.409 1.817 14.618 1.00 3.01 H new ATOM 0 HD22 LEU B 49 -1.221 3.065 14.174 1.00 3.01 H new ATOM 0 HD23 LEU B 49 -2.903 3.524 14.531 1.00 3.01 H new ATOM 1795 N SER B 50 -1.694 6.946 11.527 1.00 15.41 N ATOM 1796 CA SER B 50 -1.214 8.001 10.601 1.00 45.51 C ATOM 1797 C SER B 50 -1.118 7.426 9.169 1.00 32.23 C ATOM 1798 O SER B 50 -0.722 6.274 9.011 1.00 34.21 O ATOM 1799 CB SER B 50 0.170 8.553 11.034 1.00 41.51 C ATOM 1800 OG SER B 50 0.161 9.002 12.383 1.00 41.23 O ATOM 0 H SER B 50 -1.031 6.701 12.263 1.00 15.41 H new ATOM 0 HA SER B 50 -1.928 8.824 10.627 1.00 45.51 H new ATOM 0 HB2 SER B 50 0.925 7.776 10.915 1.00 41.51 H new ATOM 0 HB3 SER B 50 0.454 9.376 10.379 1.00 41.51 H new ATOM 0 HG SER B 50 0.404 8.261 12.976 1.00 41.23 H new ATOM 1806 N GLN B 51 -1.488 8.222 8.145 1.00 22.05 N ATOM 1807 CA GLN B 51 -1.448 7.796 6.712 1.00 72.43 C ATOM 1808 C GLN B 51 -0.072 7.194 6.307 1.00 21.11 C ATOM 1809 O GLN B 51 0.000 6.279 5.484 1.00 10.21 O ATOM 1810 CB GLN B 51 -1.784 8.998 5.789 1.00 10.35 C ATOM 1811 CG GLN B 51 -3.184 9.604 5.994 1.00 10.30 C ATOM 1812 CD GLN B 51 -3.440 10.824 5.101 1.00 22.02 C ATOM 1813 OE1 GLN B 51 -3.160 11.955 5.478 1.00 33.24 O ATOM 1814 NE2 GLN B 51 -3.977 10.604 3.919 1.00 30.34 N ATOM 0 H GLN B 51 -1.823 9.176 8.277 1.00 22.05 H new ATOM 0 HA GLN B 51 -2.196 7.012 6.592 1.00 72.43 H new ATOM 0 HB2 GLN B 51 -1.040 9.778 5.948 1.00 10.35 H new ATOM 0 HB3 GLN B 51 -1.692 8.677 4.751 1.00 10.35 H new ATOM 0 HG2 GLN B 51 -3.938 8.844 5.788 1.00 10.30 H new ATOM 0 HG3 GLN B 51 -3.300 9.893 7.038 1.00 10.30 H new ATOM 0 HE21 GLN B 51 -4.201 9.652 3.630 1.00 30.34 H new ATOM 0 HE22 GLN B 51 -4.169 11.386 3.293 1.00 30.34 H new ATOM 1823 N VAL B 52 1.002 7.710 6.928 1.00 42.41 N ATOM 1824 CA VAL B 52 2.383 7.225 6.714 1.00 52.33 C ATOM 1825 C VAL B 52 2.591 5.820 7.348 1.00 70.33 C ATOM 1826 O VAL B 52 3.178 4.933 6.729 1.00 60.33 O ATOM 1827 CB VAL B 52 3.437 8.230 7.311 1.00 42.02 C ATOM 1828 CG1 VAL B 52 4.866 7.870 6.857 1.00 34.45 C ATOM 1829 CG2 VAL B 52 3.090 9.694 6.951 1.00 4.22 C ATOM 0 H VAL B 52 0.940 8.478 7.596 1.00 42.41 H new ATOM 0 HA VAL B 52 2.534 7.152 5.637 1.00 52.33 H new ATOM 0 HB VAL B 52 3.398 8.141 8.397 1.00 42.02 H new ATOM 0 HG11 VAL B 52 5.573 8.581 7.284 1.00 34.45 H new ATOM 0 HG12 VAL B 52 5.113 6.864 7.196 1.00 34.45 H new ATOM 0 HG13 VAL B 52 4.923 7.910 5.769 1.00 34.45 H new ATOM 0 HG21 VAL B 52 3.838 10.361 7.379 1.00 4.22 H new ATOM 0 HG22 VAL B 52 3.079 9.809 5.867 1.00 4.22 H new ATOM 0 HG23 VAL B 52 2.108 9.945 7.353 1.00 4.22 H new ATOM 1839 N GLU B 53 2.091 5.645 8.594 1.00 25.30 N ATOM 1840 CA GLU B 53 2.143 4.347 9.322 1.00 5.42 C ATOM 1841 C GLU B 53 1.288 3.271 8.617 1.00 51.41 C ATOM 1842 O GLU B 53 1.594 2.082 8.704 1.00 24.44 O ATOM 1843 CB GLU B 53 1.660 4.517 10.787 1.00 24.35 C ATOM 1844 CG GLU B 53 2.475 5.525 11.623 1.00 65.35 C ATOM 1845 CD GLU B 53 1.988 5.641 13.079 1.00 14.43 C ATOM 1846 OE1 GLU B 53 0.876 6.171 13.297 1.00 73.03 O ATOM 1847 OE2 GLU B 53 2.704 5.201 14.005 1.00 34.30 O ATOM 0 H GLU B 53 1.642 6.392 9.123 1.00 25.30 H new ATOM 0 HA GLU B 53 3.182 4.018 9.324 1.00 5.42 H new ATOM 0 HB2 GLU B 53 0.617 4.834 10.777 1.00 24.35 H new ATOM 0 HB3 GLU B 53 1.693 3.546 11.281 1.00 24.35 H new ATOM 0 HG2 GLU B 53 3.523 5.226 11.620 1.00 65.35 H new ATOM 0 HG3 GLU B 53 2.422 6.506 11.150 1.00 65.35 H new ATOM 1854 N ILE B 54 0.210 3.709 7.942 1.00 20.34 N ATOM 1855 CA ILE B 54 -0.628 2.839 7.090 1.00 5.02 C ATOM 1856 C ILE B 54 0.196 2.329 5.887 1.00 61.51 C ATOM 1857 O ILE B 54 0.226 1.131 5.636 1.00 3.01 O ATOM 1858 CB ILE B 54 -1.938 3.587 6.604 1.00 65.23 C ATOM 1859 CG1 ILE B 54 -2.862 3.921 7.830 1.00 1.40 C ATOM 1860 CG2 ILE B 54 -2.712 2.782 5.520 1.00 43.12 C ATOM 1861 CD1 ILE B 54 -4.128 4.697 7.494 1.00 44.02 C ATOM 0 H ILE B 54 -0.107 4.678 7.971 1.00 20.34 H new ATOM 0 HA ILE B 54 -0.948 1.984 7.686 1.00 5.02 H new ATOM 0 HB ILE B 54 -1.627 4.520 6.135 1.00 65.23 H new ATOM 0 HG12 ILE B 54 -3.145 2.987 8.316 1.00 1.40 H new ATOM 0 HG13 ILE B 54 -2.284 4.495 8.554 1.00 1.40 H new ATOM 0 HG21 ILE B 54 -3.601 3.337 5.220 1.00 43.12 H new ATOM 0 HG22 ILE B 54 -2.070 2.629 4.652 1.00 43.12 H new ATOM 0 HG23 ILE B 54 -3.008 1.815 5.927 1.00 43.12 H new ATOM 0 HD11 ILE B 54 -4.697 4.878 8.406 1.00 44.02 H new ATOM 0 HD12 ILE B 54 -3.860 5.650 7.038 1.00 44.02 H new ATOM 0 HD13 ILE B 54 -4.735 4.119 6.797 1.00 44.02 H new ATOM 1873 N LEU B 55 0.893 3.251 5.184 1.00 32.24 N ATOM 1874 CA LEU B 55 1.816 2.900 4.068 1.00 54.32 C ATOM 1875 C LEU B 55 2.864 1.851 4.503 1.00 61.50 C ATOM 1876 O LEU B 55 3.049 0.838 3.843 1.00 33.01 O ATOM 1877 CB LEU B 55 2.563 4.161 3.559 1.00 51.43 C ATOM 1878 CG LEU B 55 1.698 5.261 2.887 1.00 41.44 C ATOM 1879 CD1 LEU B 55 2.542 6.517 2.568 1.00 2.31 C ATOM 1880 CD2 LEU B 55 0.998 4.713 1.627 1.00 22.11 C ATOM 0 H LEU B 55 0.836 4.253 5.368 1.00 32.24 H new ATOM 0 HA LEU B 55 1.203 2.481 3.271 1.00 54.32 H new ATOM 0 HB2 LEU B 55 3.088 4.609 4.403 1.00 51.43 H new ATOM 0 HB3 LEU B 55 3.322 3.842 2.845 1.00 51.43 H new ATOM 0 HG LEU B 55 0.923 5.562 3.592 1.00 41.44 H new ATOM 0 HD11 LEU B 55 1.910 7.270 2.098 1.00 2.31 H new ATOM 0 HD12 LEU B 55 2.960 6.919 3.491 1.00 2.31 H new ATOM 0 HD13 LEU B 55 3.352 6.248 1.890 1.00 2.31 H new ATOM 0 HD21 LEU B 55 0.397 5.501 1.173 1.00 22.11 H new ATOM 0 HD22 LEU B 55 1.748 4.371 0.914 1.00 22.11 H new ATOM 0 HD23 LEU B 55 0.353 3.879 1.903 1.00 22.11 H new ATOM 1892 N GLN B 56 3.511 2.128 5.643 1.00 61.03 N ATOM 1893 CA GLN B 56 4.541 1.260 6.253 1.00 70.54 C ATOM 1894 C GLN B 56 3.968 -0.105 6.700 1.00 22.24 C ATOM 1895 O GLN B 56 4.680 -1.114 6.687 1.00 2.53 O ATOM 1896 CB GLN B 56 5.225 2.009 7.429 1.00 74.55 C ATOM 1897 CG GLN B 56 6.085 3.207 6.964 1.00 35.33 C ATOM 1898 CD GLN B 56 6.698 4.044 8.091 1.00 32.32 C ATOM 1899 OE1 GLN B 56 6.953 3.561 9.186 1.00 75.01 O ATOM 1900 NE2 GLN B 56 6.981 5.297 7.813 1.00 74.43 N ATOM 0 H GLN B 56 3.334 2.976 6.181 1.00 61.03 H new ATOM 0 HA GLN B 56 5.291 1.037 5.494 1.00 70.54 H new ATOM 0 HB2 GLN B 56 4.460 2.364 8.120 1.00 74.55 H new ATOM 0 HB3 GLN B 56 5.854 1.310 7.981 1.00 74.55 H new ATOM 0 HG2 GLN B 56 6.890 2.833 6.332 1.00 35.33 H new ATOM 0 HG3 GLN B 56 5.469 3.857 6.344 1.00 35.33 H new ATOM 0 HE21 GLN B 56 6.759 5.678 6.893 1.00 74.43 H new ATOM 0 HE22 GLN B 56 7.422 5.888 8.517 1.00 74.43 H new ATOM 1909 N ARG B 57 2.689 -0.114 7.126 1.00 45.53 N ATOM 1910 CA ARG B 57 1.975 -1.357 7.517 1.00 31.35 C ATOM 1911 C ARG B 57 1.595 -2.198 6.264 1.00 24.43 C ATOM 1912 O ARG B 57 1.501 -3.426 6.340 1.00 4.12 O ATOM 1913 CB ARG B 57 0.707 -1.021 8.381 1.00 51.35 C ATOM 1914 CG ARG B 57 0.472 -1.981 9.572 1.00 35.12 C ATOM 1915 CD ARG B 57 1.617 -1.919 10.604 1.00 2.55 C ATOM 1916 NE ARG B 57 1.386 -2.818 11.744 1.00 34.34 N ATOM 1917 CZ ARG B 57 2.189 -2.979 12.774 1.00 10.53 C ATOM 1918 NH1 ARG B 57 3.312 -2.333 12.868 1.00 75.42 N ATOM 1919 NH2 ARG B 57 1.852 -3.803 13.715 1.00 13.31 N ATOM 0 H ARG B 57 2.122 0.730 7.210 1.00 45.53 H new ATOM 0 HA ARG B 57 2.648 -1.958 8.128 1.00 31.35 H new ATOM 0 HB2 ARG B 57 0.801 -0.004 8.763 1.00 51.35 H new ATOM 0 HB3 ARG B 57 -0.172 -1.039 7.737 1.00 51.35 H new ATOM 0 HG2 ARG B 57 -0.469 -1.728 10.060 1.00 35.12 H new ATOM 0 HG3 ARG B 57 0.374 -3.001 9.201 1.00 35.12 H new ATOM 0 HD2 ARG B 57 2.556 -2.184 10.119 1.00 2.55 H new ATOM 0 HD3 ARG B 57 1.723 -0.896 10.966 1.00 2.55 H new ATOM 0 HE ARG B 57 0.526 -3.366 11.736 1.00 34.34 H new ATOM 0 HH11 ARG B 57 3.589 -1.683 12.133 1.00 75.42 H new ATOM 0 HH12 ARG B 57 3.916 -2.476 13.677 1.00 75.42 H new ATOM 0 HH21 ARG B 57 0.974 -4.318 13.652 1.00 13.31 H new ATOM 0 HH22 ARG B 57 2.465 -3.937 14.519 1.00 13.31 H new ATOM 1933 N VAL B 58 1.374 -1.515 5.120 1.00 23.11 N ATOM 1934 CA VAL B 58 1.168 -2.172 3.807 1.00 3.15 C ATOM 1935 C VAL B 58 2.505 -2.765 3.290 1.00 63.10 C ATOM 1936 O VAL B 58 2.525 -3.872 2.768 1.00 14.23 O ATOM 1937 CB VAL B 58 0.557 -1.186 2.734 1.00 34.14 C ATOM 1938 CG1 VAL B 58 0.378 -1.880 1.363 1.00 34.32 C ATOM 1939 CG2 VAL B 58 -0.787 -0.594 3.221 1.00 21.02 C ATOM 0 H VAL B 58 1.333 -0.497 5.078 1.00 23.11 H new ATOM 0 HA VAL B 58 0.447 -2.976 3.956 1.00 3.15 H new ATOM 0 HB VAL B 58 1.266 -0.368 2.606 1.00 34.14 H new ATOM 0 HG11 VAL B 58 -0.044 -1.172 0.649 1.00 34.32 H new ATOM 0 HG12 VAL B 58 1.346 -2.226 1.001 1.00 34.32 H new ATOM 0 HG13 VAL B 58 -0.294 -2.731 1.471 1.00 34.32 H new ATOM 0 HG21 VAL B 58 -1.184 0.081 2.462 1.00 21.02 H new ATOM 0 HG22 VAL B 58 -1.498 -1.401 3.396 1.00 21.02 H new ATOM 0 HG23 VAL B 58 -0.627 -0.044 4.148 1.00 21.02 H new ATOM 1949 N ILE B 59 3.612 -2.018 3.463 1.00 11.44 N ATOM 1950 CA ILE B 59 4.985 -2.500 3.145 1.00 73.43 C ATOM 1951 C ILE B 59 5.312 -3.774 3.973 1.00 13.23 C ATOM 1952 O ILE B 59 5.816 -4.756 3.438 1.00 73.44 O ATOM 1953 CB ILE B 59 6.055 -1.371 3.432 1.00 5.25 C ATOM 1954 CG1 ILE B 59 5.774 -0.110 2.546 1.00 12.44 C ATOM 1955 CG2 ILE B 59 7.508 -1.873 3.223 1.00 72.42 C ATOM 1956 CD1 ILE B 59 6.570 1.127 2.922 1.00 25.24 C ATOM 0 H ILE B 59 3.588 -1.065 3.826 1.00 11.44 H new ATOM 0 HA ILE B 59 5.025 -2.749 2.085 1.00 73.43 H new ATOM 0 HB ILE B 59 5.959 -1.094 4.482 1.00 5.25 H new ATOM 0 HG12 ILE B 59 5.988 -0.360 1.507 1.00 12.44 H new ATOM 0 HG13 ILE B 59 4.712 0.128 2.605 1.00 12.44 H new ATOM 0 HG21 ILE B 59 8.206 -1.063 3.432 1.00 72.42 H new ATOM 0 HG22 ILE B 59 7.706 -2.706 3.898 1.00 72.42 H new ATOM 0 HG23 ILE B 59 7.634 -2.204 2.192 1.00 72.42 H new ATOM 0 HD11 ILE B 59 6.307 1.946 2.253 1.00 25.24 H new ATOM 0 HD12 ILE B 59 6.340 1.409 3.949 1.00 25.24 H new ATOM 0 HD13 ILE B 59 7.635 0.915 2.834 1.00 25.24 H new ATOM 1968 N ASP B 60 4.971 -3.731 5.273 1.00 4.01 N ATOM 1969 CA ASP B 60 5.085 -4.880 6.207 1.00 73.42 C ATOM 1970 C ASP B 60 4.275 -6.104 5.698 1.00 5.02 C ATOM 1971 O ASP B 60 4.784 -7.228 5.657 1.00 53.13 O ATOM 1972 CB ASP B 60 4.577 -4.436 7.606 1.00 32.12 C ATOM 1973 CG ASP B 60 4.548 -5.568 8.648 1.00 40.34 C ATOM 1974 OD1 ASP B 60 5.598 -5.852 9.259 1.00 2.52 O ATOM 1975 OD2 ASP B 60 3.479 -6.186 8.845 1.00 71.42 O ATOM 0 H ASP B 60 4.603 -2.889 5.716 1.00 4.01 H new ATOM 0 HA ASP B 60 6.129 -5.187 6.270 1.00 73.42 H new ATOM 0 HB2 ASP B 60 5.215 -3.632 7.975 1.00 32.12 H new ATOM 0 HB3 ASP B 60 3.573 -4.025 7.503 1.00 32.12 H new ATOM 1980 N TYR B 61 3.015 -5.835 5.319 1.00 11.44 N ATOM 1981 CA TYR B 61 2.066 -6.833 4.767 1.00 10.32 C ATOM 1982 C TYR B 61 2.636 -7.537 3.511 1.00 62.21 C ATOM 1983 O TYR B 61 2.619 -8.766 3.416 1.00 63.14 O ATOM 1984 CB TYR B 61 0.729 -6.104 4.438 1.00 71.51 C ATOM 1985 CG TYR B 61 -0.308 -6.898 3.619 1.00 70.45 C ATOM 1986 CD1 TYR B 61 -0.998 -7.973 4.180 1.00 31.34 C ATOM 1987 CD2 TYR B 61 -0.610 -6.550 2.294 1.00 11.34 C ATOM 1988 CE1 TYR B 61 -1.949 -8.665 3.459 1.00 41.35 C ATOM 1989 CE2 TYR B 61 -1.561 -7.245 1.572 1.00 61.43 C ATOM 1990 CZ TYR B 61 -2.227 -8.300 2.160 1.00 40.43 C ATOM 1991 OH TYR B 61 -3.182 -8.989 1.451 1.00 14.21 O ATOM 0 H TYR B 61 2.613 -4.900 5.387 1.00 11.44 H new ATOM 0 HA TYR B 61 1.896 -7.614 5.508 1.00 10.32 H new ATOM 0 HB2 TYR B 61 0.264 -5.805 5.377 1.00 71.51 H new ATOM 0 HB3 TYR B 61 0.965 -5.190 3.894 1.00 71.51 H new ATOM 0 HD1 TYR B 61 -0.784 -8.269 5.196 1.00 31.34 H new ATOM 0 HD2 TYR B 61 -0.090 -5.725 1.830 1.00 11.34 H new ATOM 0 HE1 TYR B 61 -2.475 -9.492 3.912 1.00 41.35 H new ATOM 0 HE2 TYR B 61 -1.782 -6.964 0.553 1.00 61.43 H new ATOM 0 HH TYR B 61 -3.809 -8.355 1.045 1.00 14.21 H new ATOM 2001 N ILE B 62 3.156 -6.738 2.569 1.00 74.25 N ATOM 2002 CA ILE B 62 3.672 -7.240 1.281 1.00 31.42 C ATOM 2003 C ILE B 62 5.008 -8.024 1.468 1.00 23.51 C ATOM 2004 O ILE B 62 5.224 -9.029 0.800 1.00 62.43 O ATOM 2005 CB ILE B 62 3.848 -6.071 0.236 1.00 63.44 C ATOM 2006 CG1 ILE B 62 2.489 -5.323 -0.015 1.00 3.52 C ATOM 2007 CG2 ILE B 62 4.418 -6.599 -1.096 1.00 11.55 C ATOM 2008 CD1 ILE B 62 2.586 -4.103 -0.926 1.00 44.21 C ATOM 0 H ILE B 62 3.232 -5.726 2.675 1.00 74.25 H new ATOM 0 HA ILE B 62 2.931 -7.934 0.885 1.00 31.42 H new ATOM 0 HB ILE B 62 4.558 -5.360 0.659 1.00 63.44 H new ATOM 0 HG12 ILE B 62 1.778 -6.027 -0.449 1.00 3.52 H new ATOM 0 HG13 ILE B 62 2.081 -5.009 0.946 1.00 3.52 H new ATOM 0 HG21 ILE B 62 4.529 -5.772 -1.798 1.00 11.55 H new ATOM 0 HG22 ILE B 62 5.391 -7.058 -0.919 1.00 11.55 H new ATOM 0 HG23 ILE B 62 3.738 -7.341 -1.514 1.00 11.55 H new ATOM 0 HD11 ILE B 62 1.599 -3.654 -1.039 1.00 44.21 H new ATOM 0 HD12 ILE B 62 3.268 -3.374 -0.487 1.00 44.21 H new ATOM 0 HD13 ILE B 62 2.961 -4.408 -1.903 1.00 44.21 H new ATOM 2020 N LEU B 63 5.886 -7.557 2.384 1.00 61.02 N ATOM 2021 CA LEU B 63 7.133 -8.283 2.772 1.00 2.51 C ATOM 2022 C LEU B 63 6.817 -9.640 3.458 1.00 34.32 C ATOM 2023 O LEU B 63 7.564 -10.616 3.316 1.00 5.31 O ATOM 2024 CB LEU B 63 7.998 -7.403 3.722 1.00 2.51 C ATOM 2025 CG LEU B 63 8.661 -6.140 3.087 1.00 42.34 C ATOM 2026 CD1 LEU B 63 9.358 -5.271 4.163 1.00 4.13 C ATOM 2027 CD2 LEU B 63 9.643 -6.539 1.959 1.00 5.34 C ATOM 0 H LEU B 63 5.759 -6.673 2.877 1.00 61.02 H new ATOM 0 HA LEU B 63 7.690 -8.488 1.858 1.00 2.51 H new ATOM 0 HB2 LEU B 63 7.371 -7.079 4.552 1.00 2.51 H new ATOM 0 HB3 LEU B 63 8.786 -8.027 4.143 1.00 2.51 H new ATOM 0 HG LEU B 63 7.872 -5.535 2.641 1.00 42.34 H new ATOM 0 HD11 LEU B 63 9.810 -4.399 3.690 1.00 4.13 H new ATOM 0 HD12 LEU B 63 8.623 -4.944 4.899 1.00 4.13 H new ATOM 0 HD13 LEU B 63 10.132 -5.857 4.659 1.00 4.13 H new ATOM 0 HD21 LEU B 63 10.092 -5.642 1.533 1.00 5.34 H new ATOM 0 HD22 LEU B 63 10.426 -7.177 2.368 1.00 5.34 H new ATOM 0 HD23 LEU B 63 9.103 -7.079 1.181 1.00 5.34 H new ATOM 2039 N ASP B 64 5.698 -9.668 4.200 1.00 32.53 N ATOM 2040 CA ASP B 64 5.196 -10.881 4.885 1.00 13.22 C ATOM 2041 C ASP B 64 4.653 -11.920 3.862 1.00 60.21 C ATOM 2042 O ASP B 64 4.707 -13.130 4.104 1.00 54.44 O ATOM 2043 CB ASP B 64 4.097 -10.474 5.907 1.00 53.24 C ATOM 2044 CG ASP B 64 3.653 -11.615 6.842 1.00 25.33 C ATOM 2045 OD1 ASP B 64 4.373 -11.906 7.820 1.00 44.42 O ATOM 2046 OD2 ASP B 64 2.593 -12.230 6.598 1.00 41.22 O ATOM 0 H ASP B 64 5.109 -8.848 4.345 1.00 32.53 H new ATOM 0 HA ASP B 64 6.020 -11.356 5.417 1.00 13.22 H new ATOM 0 HB2 ASP B 64 4.467 -9.646 6.512 1.00 53.24 H new ATOM 0 HB3 ASP B 64 3.228 -10.106 5.362 1.00 53.24 H new ATOM 2051 N LEU B 65 4.118 -11.423 2.728 1.00 15.53 N ATOM 2052 CA LEU B 65 3.642 -12.274 1.605 1.00 45.51 C ATOM 2053 C LEU B 65 4.817 -12.762 0.719 1.00 35.14 C ATOM 2054 O LEU B 65 4.877 -13.930 0.324 1.00 41.12 O ATOM 2055 CB LEU B 65 2.619 -11.490 0.738 1.00 62.02 C ATOM 2056 CG LEU B 65 1.342 -10.997 1.484 1.00 40.04 C ATOM 2057 CD1 LEU B 65 0.416 -10.199 0.546 1.00 3.21 C ATOM 2058 CD2 LEU B 65 0.592 -12.169 2.158 1.00 53.13 C ATOM 0 H LEU B 65 4.002 -10.424 2.560 1.00 15.53 H new ATOM 0 HA LEU B 65 3.159 -13.151 2.036 1.00 45.51 H new ATOM 0 HB2 LEU B 65 3.123 -10.625 0.307 1.00 62.02 H new ATOM 0 HB3 LEU B 65 2.311 -12.126 -0.092 1.00 62.02 H new ATOM 0 HG LEU B 65 1.666 -10.321 2.275 1.00 40.04 H new ATOM 0 HD11 LEU B 65 -0.465 -9.870 1.098 1.00 3.21 H new ATOM 0 HD12 LEU B 65 0.949 -9.329 0.162 1.00 3.21 H new ATOM 0 HD13 LEU B 65 0.108 -10.832 -0.286 1.00 3.21 H new ATOM 0 HD21 LEU B 65 -0.293 -11.789 2.669 1.00 53.13 H new ATOM 0 HD22 LEU B 65 0.291 -12.892 1.400 1.00 53.13 H new ATOM 0 HD23 LEU B 65 1.248 -12.653 2.881 1.00 53.13 H new ATOM 2070 N GLN B 66 5.733 -11.834 0.418 1.00 21.02 N ATOM 2071 CA GLN B 66 6.940 -12.087 -0.412 1.00 12.33 C ATOM 2072 C GLN B 66 8.097 -12.654 0.450 1.00 40.12 C ATOM 2073 O GLN B 66 7.880 -13.106 1.577 1.00 51.30 O ATOM 2074 CB GLN B 66 7.404 -10.768 -1.110 1.00 31.24 C ATOM 2075 CG GLN B 66 6.440 -10.195 -2.172 1.00 72.22 C ATOM 2076 CD GLN B 66 7.042 -9.016 -2.967 1.00 40.31 C ATOM 2077 OE1 GLN B 66 8.247 -8.937 -3.175 1.00 73.42 O ATOM 2078 NE2 GLN B 66 6.219 -8.097 -3.423 1.00 52.03 N ATOM 0 H GLN B 66 5.665 -10.870 0.744 1.00 21.02 H new ATOM 0 HA GLN B 66 6.677 -12.824 -1.171 1.00 12.33 H new ATOM 0 HB2 GLN B 66 7.562 -10.010 -0.343 1.00 31.24 H new ATOM 0 HB3 GLN B 66 8.369 -10.949 -1.583 1.00 31.24 H new ATOM 0 HG2 GLN B 66 6.161 -10.988 -2.866 1.00 72.22 H new ATOM 0 HG3 GLN B 66 5.524 -9.864 -1.682 1.00 72.22 H new ATOM 0 HE21 GLN B 66 5.218 -8.174 -3.243 1.00 52.03 H new ATOM 0 HE22 GLN B 66 6.582 -7.307 -3.957 1.00 52.03 H new ATOM 2087 N VAL B 67 9.322 -12.663 -0.108 1.00 44.15 N ATOM 2088 CA VAL B 67 10.550 -12.913 0.672 1.00 2.12 C ATOM 2089 C VAL B 67 10.768 -11.760 1.685 1.00 64.00 C ATOM 2090 O VAL B 67 10.734 -10.580 1.306 1.00 24.23 O ATOM 2091 CB VAL B 67 11.809 -13.072 -0.261 1.00 13.43 C ATOM 2092 CG1 VAL B 67 13.097 -13.345 0.555 1.00 54.33 C ATOM 2093 CG2 VAL B 67 11.572 -14.182 -1.318 1.00 52.53 C ATOM 0 H VAL B 67 9.489 -12.499 -1.101 1.00 44.15 H new ATOM 0 HA VAL B 67 10.425 -13.852 1.212 1.00 2.12 H new ATOM 0 HB VAL B 67 11.953 -12.127 -0.784 1.00 13.43 H new ATOM 0 HG11 VAL B 67 13.943 -13.449 -0.124 1.00 54.33 H new ATOM 0 HG12 VAL B 67 13.279 -12.514 1.237 1.00 54.33 H new ATOM 0 HG13 VAL B 67 12.977 -14.265 1.128 1.00 54.33 H new ATOM 0 HG21 VAL B 67 12.454 -14.275 -1.952 1.00 52.53 H new ATOM 0 HG22 VAL B 67 11.385 -15.130 -0.814 1.00 52.53 H new ATOM 0 HG23 VAL B 67 10.710 -13.922 -1.932 1.00 52.53 H new ATOM 2103 N VAL B 68 10.959 -12.120 2.968 1.00 41.03 N ATOM 2104 CA VAL B 68 11.119 -11.146 4.076 1.00 52.03 C ATOM 2105 C VAL B 68 12.396 -10.242 3.930 1.00 51.12 C ATOM 2106 O VAL B 68 12.265 -8.998 4.023 1.00 37.39 O ATOM 2107 CB VAL B 68 11.090 -11.861 5.486 1.00 30.21 C ATOM 2108 CG1 VAL B 68 9.684 -12.426 5.795 1.00 23.24 C ATOM 2109 CG2 VAL B 68 12.167 -12.972 5.597 1.00 12.40 C ATOM 2110 OXT VAL B 68 13.504 -10.773 3.697 1.00 37.39 O ATOM 0 H VAL B 68 11.007 -13.093 3.271 1.00 41.03 H new ATOM 0 HA VAL B 68 10.260 -10.479 4.011 1.00 52.03 H new ATOM 0 HB VAL B 68 11.327 -11.103 6.233 1.00 30.21 H new ATOM 0 HG11 VAL B 68 9.694 -12.912 6.771 1.00 23.24 H new ATOM 0 HG12 VAL B 68 8.958 -11.613 5.802 1.00 23.24 H new ATOM 0 HG13 VAL B 68 9.408 -13.152 5.031 1.00 23.24 H new ATOM 0 HG21 VAL B 68 12.111 -13.436 6.582 1.00 12.40 H new ATOM 0 HG22 VAL B 68 11.992 -13.726 4.830 1.00 12.40 H new ATOM 0 HG23 VAL B 68 13.156 -12.535 5.458 1.00 12.40 H new