USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1309 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: B 74 SER OG : rot 68:sc= 2.1 USER MOD Set 1.2: B 78 LYS NZ :NH3+ -164:sc= 0.613! (180deg=-0.463!) USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0.0725 K(o=-0.056,f=-0.62) USER MOD Set 2.2: B 60 CYS SG : rot -123:sc= 0.0179 USER MOD Set 2.3: B 97 MET CE :methyl -143:sc= -0.146 (180deg=-0.599) USER MOD Set 3.1: A 38 SER OG : rot 57:sc= 0.287 USER MOD Set 3.2: A 112 LYS NZ :NH3+ 132:sc= 0.236 (180deg=-0.326) USER MOD Set 4.1: A 56 HIS : no HD1:sc= 0.00832 X(o=-0.18,f=-0.31) USER MOD Set 4.2: A 60 CYS SG : rot -120:sc=-0.00185 USER MOD Set 4.3: A 97 MET CE :methyl -145:sc= -0.188 (180deg=-0.617) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.19) USER MOD Single : A 40 TYR OH : rot 175:sc= -0.41 USER MOD Single : A 43 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.21) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 27:sc= 1.15 USER MOD Single : A 51 GLN : amide:sc= -0.003 K(o=-0.003,f=-0.82) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 96:sc= 1.23 USER MOD Single : A 64 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.1) USER MOD Single : A 74 SER OG : rot -35:sc= 0.282 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -111:sc= 0.108 (180deg=-0.556!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0693 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 90 SER OG : rot 180:sc= -1.89! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0.429 (180deg=0.429) USER MOD Single : B 24 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.46) USER MOD Single : B 27 SER OG : rot 180:sc= 0.0256 USER MOD Single : B 31 LYS NZ :NH3+ -164:sc= -0.0362 (180deg=-0.31) USER MOD Single : B 32 LYS NZ :NH3+ 175:sc= -0.616 (180deg=-0.652) USER MOD Single : B 36 LYS NZ :NH3+ 147:sc= 1.29 (180deg=1.13) USER MOD Single : B 38 SER OG : rot 72:sc= 0.633 USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= 0.254 K(o=0.25,f=-2.1!) USER MOD Single : B 46 TYR OH : rot 180:sc= -0.276 USER MOD Single : B 48 SER OG : rot 140:sc= -0.73 USER MOD Single : B 49 THR OG1 : rot -86:sc= 1.69 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0.00232 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -2.44! X(o=-2.4!,f=-2.4) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.12) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 ASN : amide:sc= -0.0807 K(o=-0.081,f=-2.1!) USER MOD Single : B 90 SER OG : rot 180:sc= -0.923 USER MOD Single : B 100 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -175:sc= 0.723 (180deg=0.698) USER MOD Single : B 112 LYS NZ :NH3+ -175:sc= 1.12 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.637 9.509 8.328 1.00 55.11 N ATOM 469 CA GLU A 33 -15.491 9.646 7.150 1.00 75.33 C ATOM 470 C GLU A 33 -14.984 8.802 5.999 1.00 33.13 C ATOM 471 O GLU A 33 -15.748 8.098 5.370 1.00 32.24 O ATOM 472 CB GLU A 33 -15.658 11.105 6.716 1.00 24.45 C ATOM 473 CG GLU A 33 -16.366 11.993 7.732 1.00 41.20 C ATOM 474 CD GLU A 33 -17.745 11.486 8.103 1.00 61.45 C ATOM 475 OE1 GLU A 33 -18.663 11.545 7.276 1.00 52.24 O ATOM 476 OE2 GLU A 33 -17.937 11.051 9.235 1.00 43.44 O ATOM 0 HA GLU A 33 -16.476 9.279 7.439 1.00 75.33 H new ATOM 0 HB2 GLU A 33 -14.673 11.524 6.511 1.00 24.45 H new ATOM 0 HB3 GLU A 33 -16.216 11.130 5.780 1.00 24.45 H new ATOM 0 HG2 GLU A 33 -15.756 12.063 8.633 1.00 41.20 H new ATOM 0 HG3 GLU A 33 -16.453 13.001 7.327 1.00 41.20 H new ATOM 483 N ILE A 34 -13.688 8.841 5.772 1.00 0.42 N ATOM 484 CA ILE A 34 -13.087 8.071 4.690 1.00 33.12 C ATOM 485 C ILE A 34 -13.202 6.562 4.966 1.00 24.33 C ATOM 486 O ILE A 34 -13.427 5.767 4.058 1.00 52.12 O ATOM 487 CB ILE A 34 -11.632 8.530 4.319 1.00 72.31 C ATOM 488 CG1 ILE A 34 -10.657 8.416 5.512 1.00 75.04 C ATOM 489 CG2 ILE A 34 -11.661 9.958 3.769 1.00 40.44 C ATOM 490 CD1 ILE A 34 -9.269 9.000 5.270 1.00 71.13 C ATOM 0 H ILE A 34 -13.027 9.394 6.318 1.00 0.42 H new ATOM 0 HA ILE A 34 -13.664 8.282 3.790 1.00 33.12 H new ATOM 0 HB ILE A 34 -11.258 7.856 3.548 1.00 72.31 H new ATOM 0 HG12 ILE A 34 -11.100 8.917 6.373 1.00 75.04 H new ATOM 0 HG13 ILE A 34 -10.551 7.364 5.775 1.00 75.04 H new ATOM 0 HG21 ILE A 34 -10.648 10.270 3.514 1.00 40.44 H new ATOM 0 HG22 ILE A 34 -12.287 9.992 2.877 1.00 40.44 H new ATOM 0 HG23 ILE A 34 -12.068 10.630 4.524 1.00 40.44 H new ATOM 0 HD11 ILE A 34 -8.659 8.872 6.164 1.00 71.13 H new ATOM 0 HD12 ILE A 34 -8.798 8.485 4.433 1.00 71.13 H new ATOM 0 HD13 ILE A 34 -9.356 10.062 5.040 1.00 71.13 H new ATOM 502 N ASP A 35 -13.116 6.206 6.249 1.00 55.13 N ATOM 503 CA ASP A 35 -13.234 4.819 6.746 1.00 42.33 C ATOM 504 C ASP A 35 -14.648 4.274 6.521 1.00 53.32 C ATOM 505 O ASP A 35 -14.825 3.130 6.113 1.00 23.00 O ATOM 506 CB ASP A 35 -12.890 4.805 8.242 1.00 55.51 C ATOM 507 CG ASP A 35 -13.131 3.500 8.943 1.00 44.02 C ATOM 508 OD1 ASP A 35 -12.388 2.561 8.726 1.00 3.15 O ATOM 509 OD2 ASP A 35 -14.047 3.443 9.772 1.00 21.41 O ATOM 0 H ASP A 35 -12.959 6.884 6.995 1.00 55.13 H new ATOM 0 HA ASP A 35 -12.543 4.179 6.197 1.00 42.33 H new ATOM 0 HB2 ASP A 35 -11.840 5.073 8.359 1.00 55.51 H new ATOM 0 HB3 ASP A 35 -13.474 5.579 8.740 1.00 55.51 H new ATOM 514 N LYS A 36 -15.645 5.132 6.745 1.00 23.01 N ATOM 515 CA LYS A 36 -17.073 4.781 6.546 1.00 71.41 C ATOM 516 C LYS A 36 -17.349 4.485 5.081 1.00 11.35 C ATOM 517 O LYS A 36 -18.332 3.835 4.729 1.00 13.22 O ATOM 518 CB LYS A 36 -17.980 5.955 6.949 1.00 2.03 C ATOM 519 CG LYS A 36 -17.985 6.323 8.412 1.00 24.40 C ATOM 520 CD LYS A 36 -18.801 7.587 8.621 1.00 72.41 C ATOM 521 CE LYS A 36 -18.900 7.962 10.079 1.00 73.44 C ATOM 522 NZ LYS A 36 -19.590 9.251 10.263 1.00 1.42 N ATOM 0 H LYS A 36 -15.498 6.088 7.068 1.00 23.01 H new ATOM 0 HA LYS A 36 -17.280 3.906 7.162 1.00 71.41 H new ATOM 0 HB2 LYS A 36 -17.679 6.832 6.376 1.00 2.03 H new ATOM 0 HB3 LYS A 36 -19.001 5.716 6.653 1.00 2.03 H new ATOM 0 HG2 LYS A 36 -18.404 5.507 9.000 1.00 24.40 H new ATOM 0 HG3 LYS A 36 -16.964 6.476 8.762 1.00 24.40 H new ATOM 0 HD2 LYS A 36 -18.347 8.408 8.066 1.00 72.41 H new ATOM 0 HD3 LYS A 36 -19.802 7.443 8.215 1.00 72.41 H new ATOM 0 HE2 LYS A 36 -19.435 7.182 10.620 1.00 73.44 H new ATOM 0 HE3 LYS A 36 -17.900 8.020 10.509 1.00 73.44 H new ATOM 0 HZ1 LYS A 36 -19.463 9.576 11.243 1.00 1.42 H new ATOM 0 HZ2 LYS A 36 -19.190 9.955 9.610 1.00 1.42 H new ATOM 0 HZ3 LYS A 36 -20.604 9.133 10.066 1.00 1.42 H new ATOM 536 N ARG A 37 -16.488 4.980 4.241 1.00 30.21 N ATOM 537 CA ARG A 37 -16.657 4.886 2.825 1.00 13.24 C ATOM 538 C ARG A 37 -15.632 3.918 2.250 1.00 71.41 C ATOM 539 O ARG A 37 -15.388 3.888 1.053 1.00 54.33 O ATOM 540 CB ARG A 37 -16.482 6.280 2.243 1.00 0.34 C ATOM 541 CG ARG A 37 -17.373 7.297 2.931 1.00 24.52 C ATOM 542 CD ARG A 37 -17.088 8.707 2.495 1.00 3.51 C ATOM 543 NE ARG A 37 -17.794 9.672 3.347 1.00 61.31 N ATOM 544 CZ ARG A 37 -17.727 11.003 3.237 1.00 71.12 C ATOM 545 NH1 ARG A 37 -17.131 11.564 2.192 1.00 1.33 N ATOM 546 NH2 ARG A 37 -18.292 11.765 4.164 1.00 44.41 N ATOM 0 H ARG A 37 -15.638 5.466 4.526 1.00 30.21 H new ATOM 0 HA ARG A 37 -17.648 4.507 2.573 1.00 13.24 H new ATOM 0 HB2 ARG A 37 -15.440 6.586 2.340 1.00 0.34 H new ATOM 0 HB3 ARG A 37 -16.710 6.260 1.177 1.00 0.34 H new ATOM 0 HG2 ARG A 37 -18.416 7.060 2.722 1.00 24.52 H new ATOM 0 HG3 ARG A 37 -17.239 7.221 4.010 1.00 24.52 H new ATOM 0 HD2 ARG A 37 -16.015 8.895 2.537 1.00 3.51 H new ATOM 0 HD3 ARG A 37 -17.394 8.840 1.457 1.00 3.51 H new ATOM 0 HE ARG A 37 -18.387 9.295 4.086 1.00 61.31 H new ATOM 0 HH11 ARG A 37 -16.720 10.979 1.465 1.00 1.33 H new ATOM 0 HH12 ARG A 37 -17.085 12.580 2.116 1.00 1.33 H new ATOM 0 HH21 ARG A 37 -18.773 11.335 4.954 1.00 44.41 H new ATOM 0 HH22 ARG A 37 -18.245 12.781 4.087 1.00 44.41 H new ATOM 560 N SER A 38 -15.047 3.123 3.112 1.00 3.34 N ATOM 561 CA SER A 38 -14.088 2.137 2.702 1.00 34.20 C ATOM 562 C SER A 38 -14.705 0.738 2.637 1.00 40.12 C ATOM 563 O SER A 38 -15.712 0.446 3.291 1.00 22.03 O ATOM 564 CB SER A 38 -12.930 2.114 3.675 1.00 5.02 C ATOM 565 OG SER A 38 -12.299 3.360 3.788 1.00 11.32 O ATOM 0 H SER A 38 -15.225 3.144 4.116 1.00 3.34 H new ATOM 0 HA SER A 38 -13.744 2.410 1.704 1.00 34.20 H new ATOM 0 HB2 SER A 38 -13.290 1.802 4.656 1.00 5.02 H new ATOM 0 HB3 SER A 38 -12.202 1.370 3.351 1.00 5.02 H new ATOM 0 HG SER A 38 -12.954 4.035 4.063 1.00 11.32 H new ATOM 571 N VAL A 39 -14.072 -0.127 1.875 1.00 62.03 N ATOM 572 CA VAL A 39 -14.478 -1.513 1.761 1.00 61.42 C ATOM 573 C VAL A 39 -13.267 -2.407 1.860 1.00 14.44 C ATOM 574 O VAL A 39 -12.135 -1.945 1.717 1.00 73.20 O ATOM 575 CB VAL A 39 -15.252 -1.850 0.436 1.00 30.22 C ATOM 576 CG1 VAL A 39 -16.534 -1.069 0.311 1.00 1.03 C ATOM 577 CG2 VAL A 39 -14.375 -1.633 -0.792 1.00 23.33 C ATOM 0 H VAL A 39 -13.255 0.112 1.313 1.00 62.03 H new ATOM 0 HA VAL A 39 -15.172 -1.689 2.583 1.00 61.42 H new ATOM 0 HB VAL A 39 -15.514 -2.907 0.490 1.00 30.22 H new ATOM 0 HG11 VAL A 39 -17.033 -1.336 -0.620 1.00 1.03 H new ATOM 0 HG12 VAL A 39 -17.186 -1.303 1.152 1.00 1.03 H new ATOM 0 HG13 VAL A 39 -16.311 -0.002 0.310 1.00 1.03 H new ATOM 0 HG21 VAL A 39 -14.942 -1.875 -1.691 1.00 23.33 H new ATOM 0 HG22 VAL A 39 -14.058 -0.591 -0.833 1.00 23.33 H new ATOM 0 HG23 VAL A 39 -13.498 -2.277 -0.731 1.00 23.33 H new ATOM 587 N TYR A 40 -13.510 -3.646 2.103 1.00 71.33 N ATOM 588 CA TYR A 40 -12.505 -4.674 2.129 1.00 0.24 C ATOM 589 C TYR A 40 -12.714 -5.538 0.930 1.00 0.34 C ATOM 590 O TYR A 40 -13.820 -5.985 0.686 1.00 64.14 O ATOM 591 CB TYR A 40 -12.607 -5.539 3.408 1.00 10.34 C ATOM 592 CG TYR A 40 -11.844 -6.872 3.309 1.00 73.32 C ATOM 593 CD1 TYR A 40 -10.507 -6.982 3.646 1.00 51.25 C ATOM 594 CD2 TYR A 40 -12.494 -8.019 2.848 1.00 62.31 C ATOM 595 CE1 TYR A 40 -9.848 -8.195 3.526 1.00 31.15 C ATOM 596 CE2 TYR A 40 -11.856 -9.215 2.718 1.00 22.23 C ATOM 597 CZ TYR A 40 -10.534 -9.309 3.058 1.00 54.54 C ATOM 598 OH TYR A 40 -9.885 -10.512 2.907 1.00 24.33 O ATOM 0 H TYR A 40 -14.448 -3.995 2.298 1.00 71.33 H new ATOM 0 HA TYR A 40 -11.518 -4.212 2.123 1.00 0.24 H new ATOM 0 HB2 TYR A 40 -12.221 -4.970 4.254 1.00 10.34 H new ATOM 0 HB3 TYR A 40 -13.657 -5.745 3.615 1.00 10.34 H new ATOM 0 HD1 TYR A 40 -9.972 -6.115 4.006 1.00 51.25 H new ATOM 0 HD2 TYR A 40 -13.540 -7.955 2.585 1.00 62.31 H new ATOM 0 HE1 TYR A 40 -8.805 -8.274 3.795 1.00 31.15 H new ATOM 0 HE2 TYR A 40 -12.388 -10.080 2.350 1.00 22.23 H new ATOM 0 HH TYR A 40 -10.530 -11.201 2.644 1.00 24.33 H new ATOM 608 N VAL A 41 -11.682 -5.738 0.188 1.00 51.33 N ATOM 609 CA VAL A 41 -11.673 -6.581 -0.967 1.00 20.31 C ATOM 610 C VAL A 41 -10.625 -7.669 -0.744 1.00 34.02 C ATOM 611 O VAL A 41 -9.444 -7.394 -0.735 1.00 24.42 O ATOM 612 CB VAL A 41 -11.273 -5.736 -2.181 1.00 15.30 C ATOM 613 CG1 VAL A 41 -11.176 -6.593 -3.442 1.00 72.24 C ATOM 614 CG2 VAL A 41 -12.276 -4.626 -2.381 1.00 61.23 C ATOM 0 H VAL A 41 -10.779 -5.302 0.373 1.00 51.33 H new ATOM 0 HA VAL A 41 -12.653 -7.027 -1.135 1.00 20.31 H new ATOM 0 HB VAL A 41 -10.289 -5.306 -1.992 1.00 15.30 H new ATOM 0 HG11 VAL A 41 -10.891 -5.966 -4.287 1.00 72.24 H new ATOM 0 HG12 VAL A 41 -10.426 -7.370 -3.297 1.00 72.24 H new ATOM 0 HG13 VAL A 41 -12.143 -7.055 -3.643 1.00 72.24 H new ATOM 0 HG21 VAL A 41 -11.988 -4.027 -3.245 1.00 61.23 H new ATOM 0 HG22 VAL A 41 -13.264 -5.054 -2.549 1.00 61.23 H new ATOM 0 HG23 VAL A 41 -12.301 -3.994 -1.493 1.00 61.23 H new ATOM 624 N GLY A 42 -11.050 -8.873 -0.541 1.00 40.35 N ATOM 625 CA GLY A 42 -10.112 -9.920 -0.237 1.00 0.12 C ATOM 626 C GLY A 42 -9.907 -10.888 -1.355 1.00 1.25 C ATOM 627 O GLY A 42 -10.644 -10.869 -2.336 1.00 4.20 O ATOM 0 H GLY A 42 -12.028 -9.161 -0.578 1.00 40.35 H new ATOM 0 HA2 GLY A 42 -9.153 -9.472 0.024 1.00 0.12 H new ATOM 0 HA3 GLY A 42 -10.460 -10.463 0.642 1.00 0.12 H new ATOM 631 N ASN A 43 -8.910 -11.754 -1.173 1.00 54.44 N ATOM 632 CA ASN A 43 -8.508 -12.804 -2.128 1.00 22.35 C ATOM 633 C ASN A 43 -7.900 -12.209 -3.435 1.00 14.55 C ATOM 634 O ASN A 43 -7.734 -12.898 -4.446 1.00 63.24 O ATOM 635 CB ASN A 43 -9.697 -13.788 -2.380 1.00 55.43 C ATOM 636 CG ASN A 43 -9.343 -15.022 -3.206 1.00 21.34 C ATOM 637 OD1 ASN A 43 -8.880 -16.034 -2.669 1.00 11.12 O ATOM 638 ND2 ASN A 43 -9.622 -14.987 -4.484 1.00 30.33 N ATOM 0 H ASN A 43 -8.336 -11.749 -0.330 1.00 54.44 H new ATOM 0 HA ASN A 43 -7.700 -13.387 -1.686 1.00 22.35 H new ATOM 0 HB2 ASN A 43 -10.091 -14.113 -1.417 1.00 55.43 H new ATOM 0 HB3 ASN A 43 -10.497 -13.247 -2.885 1.00 55.43 H new ATOM 0 HD21 ASN A 43 -9.458 -15.810 -5.065 1.00 30.33 H new ATOM 0 HD22 ASN A 43 -10.003 -14.137 -4.900 1.00 30.33 H new ATOM 645 N VAL A 44 -7.503 -10.947 -3.376 1.00 64.23 N ATOM 646 CA VAL A 44 -6.866 -10.287 -4.520 1.00 34.43 C ATOM 647 C VAL A 44 -5.442 -10.845 -4.700 1.00 64.31 C ATOM 648 O VAL A 44 -4.767 -11.175 -3.736 1.00 13.35 O ATOM 649 CB VAL A 44 -6.871 -8.721 -4.380 1.00 71.12 C ATOM 650 CG1 VAL A 44 -6.048 -8.244 -3.209 1.00 53.53 C ATOM 651 CG2 VAL A 44 -6.421 -8.045 -5.656 1.00 1.41 C ATOM 0 H VAL A 44 -7.608 -10.355 -2.552 1.00 64.23 H new ATOM 0 HA VAL A 44 -7.446 -10.506 -5.416 1.00 34.43 H new ATOM 0 HB VAL A 44 -7.906 -8.436 -4.189 1.00 71.12 H new ATOM 0 HG11 VAL A 44 -6.085 -7.156 -3.158 1.00 53.53 H new ATOM 0 HG12 VAL A 44 -6.449 -8.665 -2.287 1.00 53.53 H new ATOM 0 HG13 VAL A 44 -5.014 -8.566 -3.335 1.00 53.53 H new ATOM 0 HG21 VAL A 44 -6.438 -6.964 -5.520 1.00 1.41 H new ATOM 0 HG22 VAL A 44 -5.408 -8.365 -5.899 1.00 1.41 H new ATOM 0 HG23 VAL A 44 -7.093 -8.319 -6.469 1.00 1.41 H new ATOM 661 N ASP A 45 -5.042 -11.017 -5.915 1.00 0.31 N ATOM 662 CA ASP A 45 -3.752 -11.619 -6.220 1.00 53.34 C ATOM 663 C ASP A 45 -2.743 -10.588 -6.736 1.00 52.45 C ATOM 664 O ASP A 45 -3.127 -9.509 -7.121 1.00 11.20 O ATOM 665 CB ASP A 45 -3.975 -12.752 -7.233 1.00 3.35 C ATOM 666 CG ASP A 45 -2.711 -13.373 -7.746 1.00 13.14 C ATOM 667 OD1 ASP A 45 -1.989 -14.012 -6.967 1.00 43.31 O ATOM 668 OD2 ASP A 45 -2.405 -13.185 -8.938 1.00 43.22 O ATOM 0 H ASP A 45 -5.586 -10.751 -6.736 1.00 0.31 H new ATOM 0 HA ASP A 45 -3.319 -12.024 -5.306 1.00 53.34 H new ATOM 0 HB2 ASP A 45 -4.584 -13.526 -6.767 1.00 3.35 H new ATOM 0 HB3 ASP A 45 -4.544 -12.363 -8.077 1.00 3.35 H new ATOM 673 N TYR A 46 -1.455 -10.966 -6.756 1.00 3.14 N ATOM 674 CA TYR A 46 -0.361 -10.104 -7.265 1.00 40.32 C ATOM 675 C TYR A 46 -0.572 -9.718 -8.721 1.00 63.41 C ATOM 676 O TYR A 46 -0.079 -8.678 -9.176 1.00 70.30 O ATOM 677 CB TYR A 46 1.011 -10.767 -7.115 1.00 52.10 C ATOM 678 CG TYR A 46 1.678 -10.590 -5.779 1.00 23.13 C ATOM 679 CD1 TYR A 46 1.294 -11.313 -4.672 1.00 1.25 C ATOM 680 CD2 TYR A 46 2.719 -9.681 -5.640 1.00 74.51 C ATOM 681 CE1 TYR A 46 1.930 -11.136 -3.457 1.00 52.30 C ATOM 682 CE2 TYR A 46 3.357 -9.502 -4.437 1.00 63.15 C ATOM 683 CZ TYR A 46 2.961 -10.229 -3.349 1.00 30.15 C ATOM 684 OH TYR A 46 3.597 -10.057 -2.143 1.00 21.40 O ATOM 0 H TYR A 46 -1.136 -11.875 -6.422 1.00 3.14 H new ATOM 0 HA TYR A 46 -0.384 -9.202 -6.653 1.00 40.32 H new ATOM 0 HB2 TYR A 46 0.901 -11.834 -7.307 1.00 52.10 H new ATOM 0 HB3 TYR A 46 1.672 -10.371 -7.886 1.00 52.10 H new ATOM 0 HD1 TYR A 46 0.487 -12.026 -4.754 1.00 1.25 H new ATOM 0 HD2 TYR A 46 3.033 -9.103 -6.496 1.00 74.51 H new ATOM 0 HE1 TYR A 46 1.619 -11.707 -2.595 1.00 52.30 H new ATOM 0 HE2 TYR A 46 4.166 -8.792 -4.351 1.00 63.15 H new ATOM 0 HH TYR A 46 4.301 -9.382 -2.238 1.00 21.40 H new ATOM 694 N GLY A 47 -1.291 -10.560 -9.451 1.00 3.24 N ATOM 695 CA GLY A 47 -1.596 -10.269 -10.832 1.00 12.43 C ATOM 696 C GLY A 47 -2.686 -9.220 -10.948 1.00 53.45 C ATOM 697 O GLY A 47 -2.885 -8.630 -12.007 1.00 1.30 O ATOM 0 H GLY A 47 -1.669 -11.443 -9.107 1.00 3.24 H new ATOM 0 HA2 GLY A 47 -0.697 -9.919 -11.339 1.00 12.43 H new ATOM 0 HA3 GLY A 47 -1.912 -11.182 -11.337 1.00 12.43 H new ATOM 701 N SER A 48 -3.399 -8.998 -9.866 1.00 72.34 N ATOM 702 CA SER A 48 -4.402 -7.995 -9.815 1.00 35.21 C ATOM 703 C SER A 48 -3.767 -6.747 -9.207 1.00 64.22 C ATOM 704 O SER A 48 -3.188 -6.799 -8.125 1.00 41.20 O ATOM 705 CB SER A 48 -5.546 -8.500 -8.968 1.00 33.10 C ATOM 706 OG SER A 48 -6.020 -9.748 -9.474 1.00 4.42 O ATOM 0 H SER A 48 -3.287 -9.521 -8.997 1.00 72.34 H new ATOM 0 HA SER A 48 -4.793 -7.756 -10.804 1.00 35.21 H new ATOM 0 HB2 SER A 48 -5.219 -8.619 -7.935 1.00 33.10 H new ATOM 0 HB3 SER A 48 -6.355 -7.770 -8.964 1.00 33.10 H new ATOM 0 HG SER A 48 -6.760 -10.067 -8.917 1.00 4.42 H new ATOM 712 N THR A 49 -3.868 -5.648 -9.889 1.00 63.42 N ATOM 713 CA THR A 49 -3.158 -4.471 -9.479 1.00 45.44 C ATOM 714 C THR A 49 -4.032 -3.230 -9.310 1.00 60.02 C ATOM 715 O THR A 49 -5.246 -3.297 -9.525 1.00 2.51 O ATOM 716 CB THR A 49 -1.893 -4.258 -10.313 1.00 1.21 C ATOM 717 OG1 THR A 49 -2.146 -4.555 -11.695 1.00 75.35 O ATOM 718 CG2 THR A 49 -0.787 -5.144 -9.803 1.00 52.43 C ATOM 0 H THR A 49 -4.433 -5.539 -10.731 1.00 63.42 H new ATOM 0 HA THR A 49 -2.818 -4.657 -8.460 1.00 45.44 H new ATOM 0 HB THR A 49 -1.593 -3.214 -10.225 1.00 1.21 H new ATOM 0 HG1 THR A 49 -3.096 -4.414 -11.891 1.00 75.35 H new ATOM 0 HG21 THR A 49 0.110 -4.987 -10.402 1.00 52.43 H new ATOM 0 HG22 THR A 49 -0.576 -4.900 -8.762 1.00 52.43 H new ATOM 0 HG23 THR A 49 -1.094 -6.187 -9.876 1.00 52.43 H new ATOM 726 N ALA A 50 -3.420 -2.098 -8.912 1.00 23.31 N ATOM 727 CA ALA A 50 -4.155 -0.919 -8.469 1.00 22.22 C ATOM 728 C ALA A 50 -5.157 -0.373 -9.494 1.00 33.20 C ATOM 729 O ALA A 50 -6.307 -0.199 -9.148 1.00 45.13 O ATOM 730 CB ALA A 50 -3.166 0.165 -8.053 1.00 54.34 C ATOM 0 H ALA A 50 -2.406 -1.985 -8.892 1.00 23.31 H new ATOM 0 HA ALA A 50 -4.762 -1.233 -7.619 1.00 22.22 H new ATOM 0 HB1 ALA A 50 -3.712 1.048 -7.721 1.00 54.34 H new ATOM 0 HB2 ALA A 50 -2.543 -0.204 -7.238 1.00 54.34 H new ATOM 0 HB3 ALA A 50 -2.535 0.427 -8.902 1.00 54.34 H new ATOM 736 N GLN A 51 -4.746 -0.109 -10.734 1.00 45.31 N ATOM 737 CA GLN A 51 -5.727 0.378 -11.729 1.00 63.14 C ATOM 738 C GLN A 51 -6.808 -0.645 -12.046 1.00 41.41 C ATOM 739 O GLN A 51 -7.934 -0.273 -12.348 1.00 55.13 O ATOM 740 CB GLN A 51 -5.125 1.004 -13.006 1.00 10.41 C ATOM 741 CG GLN A 51 -4.263 0.096 -13.835 1.00 72.12 C ATOM 742 CD GLN A 51 -3.845 0.720 -15.140 1.00 34.14 C ATOM 743 OE1 GLN A 51 -4.570 1.517 -15.731 1.00 2.13 O ATOM 744 NE2 GLN A 51 -2.666 0.407 -15.572 1.00 33.10 N ATOM 0 H GLN A 51 -3.790 -0.214 -11.072 1.00 45.31 H new ATOM 0 HA GLN A 51 -6.207 1.214 -11.220 1.00 63.14 H new ATOM 0 HB2 GLN A 51 -5.942 1.368 -13.629 1.00 10.41 H new ATOM 0 HB3 GLN A 51 -4.533 1.873 -12.718 1.00 10.41 H new ATOM 0 HG2 GLN A 51 -3.374 -0.174 -13.265 1.00 72.12 H new ATOM 0 HG3 GLN A 51 -4.805 -0.828 -14.036 1.00 72.12 H new ATOM 0 HE21 GLN A 51 -2.093 -0.259 -15.054 1.00 33.10 H new ATOM 0 HE22 GLN A 51 -2.310 0.826 -16.431 1.00 33.10 H new ATOM 753 N ASP A 52 -6.461 -1.929 -11.993 1.00 35.13 N ATOM 754 CA ASP A 52 -7.451 -3.008 -12.202 1.00 42.02 C ATOM 755 C ASP A 52 -8.532 -2.894 -11.159 1.00 51.14 C ATOM 756 O ASP A 52 -9.728 -2.966 -11.457 1.00 22.22 O ATOM 757 CB ASP A 52 -6.825 -4.408 -12.062 1.00 42.44 C ATOM 758 CG ASP A 52 -5.777 -4.726 -13.079 1.00 4.40 C ATOM 759 OD1 ASP A 52 -4.601 -4.430 -12.840 1.00 13.20 O ATOM 760 OD2 ASP A 52 -6.107 -5.294 -14.118 1.00 41.31 O ATOM 0 H ASP A 52 -5.513 -2.256 -11.809 1.00 35.13 H new ATOM 0 HA ASP A 52 -7.843 -2.894 -13.213 1.00 42.02 H new ATOM 0 HB2 ASP A 52 -6.387 -4.498 -11.068 1.00 42.44 H new ATOM 0 HB3 ASP A 52 -7.617 -5.154 -12.130 1.00 42.44 H new ATOM 765 N LEU A 53 -8.096 -2.683 -9.946 1.00 33.21 N ATOM 766 CA LEU A 53 -8.972 -2.584 -8.812 1.00 55.31 C ATOM 767 C LEU A 53 -9.727 -1.285 -8.820 1.00 13.15 C ATOM 768 O LEU A 53 -10.950 -1.274 -8.678 1.00 4.51 O ATOM 769 CB LEU A 53 -8.142 -2.693 -7.538 1.00 24.21 C ATOM 770 CG LEU A 53 -7.595 -4.071 -7.227 1.00 3.31 C ATOM 771 CD1 LEU A 53 -6.538 -3.973 -6.142 1.00 22.12 C ATOM 772 CD2 LEU A 53 -8.737 -4.944 -6.744 1.00 71.50 C ATOM 0 H LEU A 53 -7.108 -2.574 -9.716 1.00 33.21 H new ATOM 0 HA LEU A 53 -9.701 -3.393 -8.858 1.00 55.31 H new ATOM 0 HB2 LEU A 53 -7.306 -1.998 -7.611 1.00 24.21 H new ATOM 0 HB3 LEU A 53 -8.755 -2.367 -6.698 1.00 24.21 H new ATOM 0 HG LEU A 53 -7.144 -4.501 -8.121 1.00 3.31 H new ATOM 0 HD11 LEU A 53 -6.148 -4.967 -5.923 1.00 22.12 H new ATOM 0 HD12 LEU A 53 -5.725 -3.332 -6.483 1.00 22.12 H new ATOM 0 HD13 LEU A 53 -6.980 -3.550 -5.240 1.00 22.12 H new ATOM 0 HD21 LEU A 53 -8.361 -5.941 -6.515 1.00 71.50 H new ATOM 0 HD22 LEU A 53 -9.175 -4.507 -5.847 1.00 71.50 H new ATOM 0 HD23 LEU A 53 -9.497 -5.013 -7.522 1.00 71.50 H new ATOM 784 N GLU A 54 -9.012 -0.199 -9.019 1.00 71.12 N ATOM 785 CA GLU A 54 -9.581 1.119 -8.997 1.00 3.32 C ATOM 786 C GLU A 54 -10.615 1.294 -10.091 1.00 25.31 C ATOM 787 O GLU A 54 -11.714 1.676 -9.805 1.00 53.33 O ATOM 788 CB GLU A 54 -8.404 2.118 -9.087 1.00 60.02 C ATOM 789 CG GLU A 54 -8.696 3.604 -8.864 1.00 1.41 C ATOM 790 CD GLU A 54 -9.209 4.330 -10.075 1.00 13.24 C ATOM 791 OE1 GLU A 54 -10.391 4.292 -10.363 1.00 73.11 O ATOM 792 OE2 GLU A 54 -8.402 4.978 -10.748 1.00 51.14 O ATOM 0 H GLU A 54 -8.009 -0.213 -9.202 1.00 71.12 H new ATOM 0 HA GLU A 54 -10.132 1.301 -8.074 1.00 3.32 H new ATOM 0 HB2 GLU A 54 -7.653 1.814 -8.358 1.00 60.02 H new ATOM 0 HB3 GLU A 54 -7.952 2.012 -10.073 1.00 60.02 H new ATOM 0 HG2 GLU A 54 -9.428 3.700 -8.062 1.00 1.41 H new ATOM 0 HG3 GLU A 54 -7.783 4.093 -8.523 1.00 1.41 H new ATOM 799 N ALA A 55 -10.283 0.938 -11.315 1.00 55.41 N ATOM 800 CA ALA A 55 -11.243 1.044 -12.414 1.00 64.13 C ATOM 801 C ALA A 55 -12.504 0.225 -12.152 1.00 14.41 C ATOM 802 O ALA A 55 -13.649 0.697 -12.368 1.00 42.15 O ATOM 803 CB ALA A 55 -10.621 0.640 -13.736 1.00 13.53 C ATOM 0 H ALA A 55 -9.367 0.575 -11.581 1.00 55.41 H new ATOM 0 HA ALA A 55 -11.531 2.094 -12.475 1.00 64.13 H new ATOM 0 HB1 ALA A 55 -11.362 0.731 -14.530 1.00 13.53 H new ATOM 0 HB2 ALA A 55 -9.774 1.291 -13.954 1.00 13.53 H new ATOM 0 HB3 ALA A 55 -10.278 -0.393 -13.676 1.00 13.53 H new ATOM 809 N HIS A 56 -12.295 -0.969 -11.624 1.00 24.05 N ATOM 810 CA HIS A 56 -13.389 -1.900 -11.394 1.00 52.45 C ATOM 811 C HIS A 56 -14.303 -1.370 -10.296 1.00 60.25 C ATOM 812 O HIS A 56 -15.519 -1.479 -10.382 1.00 62.55 O ATOM 813 CB HIS A 56 -12.852 -3.299 -11.042 1.00 73.14 C ATOM 814 CG HIS A 56 -13.898 -4.386 -10.986 1.00 43.23 C ATOM 815 ND1 HIS A 56 -14.128 -5.261 -12.027 1.00 22.33 N ATOM 816 CD2 HIS A 56 -14.755 -4.752 -10.003 1.00 61.14 C ATOM 817 CE1 HIS A 56 -15.073 -6.109 -11.685 1.00 51.30 C ATOM 818 NE2 HIS A 56 -15.470 -5.821 -10.463 1.00 43.23 N ATOM 0 H HIS A 56 -11.378 -1.318 -11.346 1.00 24.05 H new ATOM 0 HA HIS A 56 -13.970 -1.992 -12.312 1.00 52.45 H new ATOM 0 HB2 HIS A 56 -12.098 -3.578 -11.778 1.00 73.14 H new ATOM 0 HB3 HIS A 56 -12.351 -3.247 -10.075 1.00 73.14 H new ATOM 0 HD2 HIS A 56 -14.855 -4.285 -9.034 1.00 61.14 H new ATOM 0 HE1 HIS A 56 -15.458 -6.907 -12.302 1.00 51.30 H new ATOM 0 HE2 HIS A 56 -16.195 -6.316 -9.944 1.00 43.23 H new ATOM 827 N PHE A 57 -13.708 -0.784 -9.279 1.00 12.31 N ATOM 828 CA PHE A 57 -14.447 -0.207 -8.182 1.00 65.15 C ATOM 829 C PHE A 57 -14.961 1.183 -8.476 1.00 21.03 C ATOM 830 O PHE A 57 -15.904 1.645 -7.851 1.00 1.03 O ATOM 831 CB PHE A 57 -13.726 -0.314 -6.852 1.00 60.20 C ATOM 832 CG PHE A 57 -13.817 -1.691 -6.272 1.00 2.40 C ATOM 833 CD1 PHE A 57 -14.971 -2.077 -5.641 1.00 2.14 C ATOM 834 CD2 PHE A 57 -12.782 -2.597 -6.367 1.00 34.24 C ATOM 835 CE1 PHE A 57 -15.100 -3.337 -5.106 1.00 11.03 C ATOM 836 CE2 PHE A 57 -12.908 -3.864 -5.835 1.00 4.12 C ATOM 837 CZ PHE A 57 -14.070 -4.227 -5.204 1.00 2.35 C ATOM 0 H PHE A 57 -12.696 -0.695 -9.192 1.00 12.31 H new ATOM 0 HA PHE A 57 -15.338 -0.826 -8.075 1.00 65.15 H new ATOM 0 HB2 PHE A 57 -12.678 -0.046 -6.986 1.00 60.20 H new ATOM 0 HB3 PHE A 57 -14.152 0.403 -6.150 1.00 60.20 H new ATOM 0 HD1 PHE A 57 -15.792 -1.380 -5.563 1.00 2.14 H new ATOM 0 HD2 PHE A 57 -11.865 -2.313 -6.862 1.00 34.24 H new ATOM 0 HE1 PHE A 57 -16.015 -3.622 -4.609 1.00 11.03 H new ATOM 0 HE2 PHE A 57 -12.093 -4.568 -5.915 1.00 4.12 H new ATOM 0 HZ PHE A 57 -14.170 -5.217 -4.785 1.00 2.35 H new ATOM 847 N SER A 58 -14.340 1.840 -9.431 1.00 62.21 N ATOM 848 CA SER A 58 -14.708 3.185 -9.807 1.00 41.43 C ATOM 849 C SER A 58 -16.071 3.156 -10.473 1.00 31.24 C ATOM 850 O SER A 58 -16.791 4.159 -10.499 1.00 4.11 O ATOM 851 CB SER A 58 -13.654 3.828 -10.728 1.00 72.43 C ATOM 852 OG SER A 58 -13.971 5.188 -11.017 1.00 11.30 O ATOM 0 H SER A 58 -13.564 1.455 -9.969 1.00 62.21 H new ATOM 0 HA SER A 58 -14.755 3.801 -8.909 1.00 41.43 H new ATOM 0 HB2 SER A 58 -12.674 3.775 -10.254 1.00 72.43 H new ATOM 0 HB3 SER A 58 -13.589 3.263 -11.658 1.00 72.43 H new ATOM 0 HG SER A 58 -13.282 5.567 -11.602 1.00 11.30 H new ATOM 858 N SER A 59 -16.431 2.007 -11.033 1.00 35.31 N ATOM 859 CA SER A 59 -17.763 1.813 -11.548 1.00 20.23 C ATOM 860 C SER A 59 -18.789 1.982 -10.404 1.00 14.02 C ATOM 861 O SER A 59 -19.886 2.504 -10.596 1.00 63.34 O ATOM 862 CB SER A 59 -17.859 0.407 -12.127 1.00 10.14 C ATOM 863 OG SER A 59 -16.808 0.184 -13.059 1.00 71.44 O ATOM 0 H SER A 59 -15.813 1.202 -11.138 1.00 35.31 H new ATOM 0 HA SER A 59 -17.977 2.548 -12.324 1.00 20.23 H new ATOM 0 HB2 SER A 59 -17.805 -0.329 -11.324 1.00 10.14 H new ATOM 0 HB3 SER A 59 -18.823 0.273 -12.617 1.00 10.14 H new ATOM 0 HG SER A 59 -16.880 -0.723 -13.422 1.00 71.44 H new ATOM 869 N CYS A 60 -18.386 1.573 -9.212 1.00 43.33 N ATOM 870 CA CYS A 60 -19.229 1.606 -8.036 1.00 23.13 C ATOM 871 C CYS A 60 -19.102 2.930 -7.261 1.00 2.32 C ATOM 872 O CYS A 60 -19.706 3.086 -6.207 1.00 71.25 O ATOM 873 CB CYS A 60 -18.867 0.436 -7.126 1.00 20.21 C ATOM 874 SG CYS A 60 -18.999 -1.182 -7.920 1.00 73.33 S ATOM 0 H CYS A 60 -17.451 1.205 -9.035 1.00 43.33 H new ATOM 0 HA CYS A 60 -20.265 1.525 -8.366 1.00 23.13 H new ATOM 0 HB2 CYS A 60 -17.847 0.571 -6.767 1.00 20.21 H new ATOM 0 HB3 CYS A 60 -19.518 0.454 -6.252 1.00 20.21 H new ATOM 0 HG CYS A 60 -19.862 -1.912 -7.277 1.00 73.33 H new ATOM 880 N GLY A 61 -18.353 3.883 -7.792 1.00 71.31 N ATOM 881 CA GLY A 61 -18.220 5.139 -7.083 1.00 65.04 C ATOM 882 C GLY A 61 -16.912 5.856 -7.294 1.00 34.31 C ATOM 883 O GLY A 61 -16.121 5.493 -8.160 1.00 73.34 O ATOM 0 H GLY A 61 -17.848 3.816 -8.675 1.00 71.31 H new ATOM 0 HA2 GLY A 61 -19.032 5.799 -7.389 1.00 65.04 H new ATOM 0 HA3 GLY A 61 -18.346 4.952 -6.017 1.00 65.04 H new ATOM 887 N SER A 62 -16.679 6.865 -6.490 1.00 52.10 N ATOM 888 CA SER A 62 -15.504 7.695 -6.612 1.00 32.41 C ATOM 889 C SER A 62 -14.451 7.227 -5.616 1.00 23.12 C ATOM 890 O SER A 62 -14.717 7.167 -4.425 1.00 74.01 O ATOM 891 CB SER A 62 -15.893 9.128 -6.287 1.00 24.42 C ATOM 892 OG SER A 62 -17.064 9.507 -6.997 1.00 25.42 O ATOM 0 H SER A 62 -17.302 7.135 -5.729 1.00 52.10 H new ATOM 0 HA SER A 62 -15.102 7.631 -7.623 1.00 32.41 H new ATOM 0 HB2 SER A 62 -16.064 9.229 -5.215 1.00 24.42 H new ATOM 0 HB3 SER A 62 -15.073 9.799 -6.544 1.00 24.42 H new ATOM 0 HG SER A 62 -17.850 9.374 -6.427 1.00 25.42 H new ATOM 898 N ILE A 63 -13.292 6.884 -6.095 1.00 44.32 N ATOM 899 CA ILE A 63 -12.226 6.407 -5.246 1.00 23.21 C ATOM 900 C ILE A 63 -11.299 7.532 -4.755 1.00 54.22 C ATOM 901 O ILE A 63 -10.855 8.386 -5.534 1.00 74.31 O ATOM 902 CB ILE A 63 -11.427 5.290 -5.957 1.00 24.55 C ATOM 903 CG1 ILE A 63 -12.341 4.074 -6.162 1.00 54.53 C ATOM 904 CG2 ILE A 63 -10.163 4.920 -5.190 1.00 40.42 C ATOM 905 CD1 ILE A 63 -11.695 2.916 -6.861 1.00 2.45 C ATOM 0 H ILE A 63 -13.053 6.925 -7.086 1.00 44.32 H new ATOM 0 HA ILE A 63 -12.693 5.991 -4.353 1.00 23.21 H new ATOM 0 HB ILE A 63 -11.096 5.656 -6.929 1.00 24.55 H new ATOM 0 HG12 ILE A 63 -12.701 3.739 -5.189 1.00 54.53 H new ATOM 0 HG13 ILE A 63 -13.214 4.385 -6.735 1.00 54.53 H new ATOM 0 HG21 ILE A 63 -9.631 4.132 -5.723 1.00 40.42 H new ATOM 0 HG22 ILE A 63 -9.521 5.796 -5.103 1.00 40.42 H new ATOM 0 HG23 ILE A 63 -10.432 4.567 -4.195 1.00 40.42 H new ATOM 0 HD11 ILE A 63 -12.415 2.104 -6.961 1.00 2.45 H new ATOM 0 HD12 ILE A 63 -11.360 3.229 -7.850 1.00 2.45 H new ATOM 0 HD13 ILE A 63 -10.839 2.572 -6.280 1.00 2.45 H new ATOM 917 N ASN A 64 -11.051 7.531 -3.445 1.00 33.12 N ATOM 918 CA ASN A 64 -10.129 8.474 -2.804 1.00 11.10 C ATOM 919 C ASN A 64 -8.793 7.830 -2.550 1.00 41.35 C ATOM 920 O ASN A 64 -7.749 8.443 -2.758 1.00 61.55 O ATOM 921 CB ASN A 64 -10.673 9.004 -1.471 1.00 43.21 C ATOM 922 CG ASN A 64 -11.826 9.951 -1.611 1.00 51.22 C ATOM 923 OD1 ASN A 64 -11.944 10.672 -2.598 1.00 71.12 O ATOM 924 ND2 ASN A 64 -12.669 9.983 -0.626 1.00 54.22 N ATOM 0 H ASN A 64 -11.484 6.875 -2.795 1.00 33.12 H new ATOM 0 HA ASN A 64 -10.019 9.309 -3.495 1.00 11.10 H new ATOM 0 HB2 ASN A 64 -10.984 8.159 -0.857 1.00 43.21 H new ATOM 0 HB3 ASN A 64 -9.867 9.507 -0.937 1.00 43.21 H new ATOM 0 HD21 ASN A 64 -13.463 10.623 -0.655 1.00 54.22 H new ATOM 0 HD22 ASN A 64 -12.538 9.369 0.178 1.00 54.22 H new ATOM 931 N ARG A 65 -8.829 6.588 -2.116 1.00 2.43 N ATOM 932 CA ARG A 65 -7.630 5.842 -1.778 1.00 10.12 C ATOM 933 C ARG A 65 -7.877 4.383 -2.038 1.00 4.44 C ATOM 934 O ARG A 65 -9.024 3.953 -2.092 1.00 24.33 O ATOM 935 CB ARG A 65 -7.267 5.950 -0.274 1.00 15.04 C ATOM 936 CG ARG A 65 -6.986 7.326 0.308 1.00 42.31 C ATOM 937 CD ARG A 65 -6.550 7.164 1.770 1.00 71.34 C ATOM 938 NE ARG A 65 -6.101 8.420 2.389 1.00 75.12 N ATOM 939 CZ ARG A 65 -5.337 8.482 3.508 1.00 23.33 C ATOM 940 NH1 ARG A 65 -5.088 7.378 4.212 1.00 51.24 N ATOM 941 NH2 ARG A 65 -4.867 9.652 3.936 1.00 73.00 N ATOM 0 H ARG A 65 -9.694 6.063 -1.986 1.00 2.43 H new ATOM 0 HA ARG A 65 -6.822 6.256 -2.381 1.00 10.12 H new ATOM 0 HB2 ARG A 65 -8.085 5.510 0.297 1.00 15.04 H new ATOM 0 HB3 ARG A 65 -6.387 5.331 -0.100 1.00 15.04 H new ATOM 0 HG2 ARG A 65 -6.206 7.826 -0.265 1.00 42.31 H new ATOM 0 HG3 ARG A 65 -7.877 7.951 0.247 1.00 42.31 H new ATOM 0 HD2 ARG A 65 -7.382 6.761 2.347 1.00 71.34 H new ATOM 0 HD3 ARG A 65 -5.743 6.433 1.822 1.00 71.34 H new ATOM 0 HE ARG A 65 -6.381 9.297 1.950 1.00 75.12 H new ATOM 0 HH11 ARG A 65 -5.472 6.483 3.910 1.00 51.24 H new ATOM 0 HH12 ARG A 65 -4.513 7.428 5.053 1.00 51.24 H new ATOM 0 HH21 ARG A 65 -5.081 10.507 3.422 1.00 73.00 H new ATOM 0 HH22 ARG A 65 -4.293 9.694 4.778 1.00 73.00 H new ATOM 955 N ILE A 66 -6.823 3.633 -2.200 1.00 33.54 N ATOM 956 CA ILE A 66 -6.905 2.191 -2.241 1.00 61.33 C ATOM 957 C ILE A 66 -5.660 1.663 -1.587 1.00 20.15 C ATOM 958 O ILE A 66 -4.591 2.231 -1.749 1.00 3.33 O ATOM 959 CB ILE A 66 -7.082 1.515 -3.664 1.00 12.54 C ATOM 960 CG1 ILE A 66 -5.853 1.641 -4.553 1.00 13.02 C ATOM 961 CG2 ILE A 66 -8.297 2.048 -4.394 1.00 34.52 C ATOM 962 CD1 ILE A 66 -6.008 0.904 -5.875 1.00 32.12 C ATOM 0 H ILE A 66 -5.878 4.001 -2.308 1.00 33.54 H new ATOM 0 HA ILE A 66 -7.828 1.929 -1.724 1.00 61.33 H new ATOM 0 HB ILE A 66 -7.226 0.455 -3.456 1.00 12.54 H new ATOM 0 HG12 ILE A 66 -5.658 2.695 -4.750 1.00 13.02 H new ATOM 0 HG13 ILE A 66 -4.984 1.250 -4.023 1.00 13.02 H new ATOM 0 HG21 ILE A 66 -8.382 1.559 -5.364 1.00 34.52 H new ATOM 0 HG22 ILE A 66 -9.192 1.846 -3.806 1.00 34.52 H new ATOM 0 HG23 ILE A 66 -8.192 3.123 -4.538 1.00 34.52 H new ATOM 0 HD11 ILE A 66 -5.102 1.028 -6.469 1.00 32.12 H new ATOM 0 HD12 ILE A 66 -6.174 -0.156 -5.683 1.00 32.12 H new ATOM 0 HD13 ILE A 66 -6.859 1.312 -6.421 1.00 32.12 H new ATOM 974 N THR A 67 -5.802 0.633 -0.843 1.00 11.14 N ATOM 975 CA THR A 67 -4.707 0.024 -0.145 1.00 3.52 C ATOM 976 C THR A 67 -4.696 -1.426 -0.549 1.00 51.31 C ATOM 977 O THR A 67 -5.699 -2.084 -0.413 1.00 22.33 O ATOM 978 CB THR A 67 -4.946 0.107 1.382 1.00 63.13 C ATOM 979 OG1 THR A 67 -5.186 1.473 1.754 1.00 64.24 O ATOM 980 CG2 THR A 67 -3.739 -0.401 2.153 1.00 74.33 C ATOM 0 H THR A 67 -6.698 0.170 -0.691 1.00 11.14 H new ATOM 0 HA THR A 67 -3.768 0.524 -0.384 1.00 3.52 H new ATOM 0 HB THR A 67 -5.808 -0.514 1.625 1.00 63.13 H new ATOM 0 HG1 THR A 67 -5.339 1.527 2.720 1.00 64.24 H new ATOM 0 HG21 THR A 67 -3.935 -0.331 3.223 1.00 74.33 H new ATOM 0 HG22 THR A 67 -3.548 -1.440 1.886 1.00 74.33 H new ATOM 0 HG23 THR A 67 -2.867 0.204 1.904 1.00 74.33 H new ATOM 988 N ILE A 68 -3.600 -1.924 -1.039 1.00 51.30 N ATOM 989 CA ILE A 68 -3.548 -3.308 -1.450 1.00 22.41 C ATOM 990 C ILE A 68 -2.447 -3.954 -0.661 1.00 12.24 C ATOM 991 O ILE A 68 -1.309 -3.527 -0.757 1.00 3.55 O ATOM 992 CB ILE A 68 -3.217 -3.522 -2.978 1.00 72.32 C ATOM 993 CG1 ILE A 68 -4.031 -2.609 -3.904 1.00 70.24 C ATOM 994 CG2 ILE A 68 -3.429 -4.973 -3.379 1.00 13.01 C ATOM 995 CD1 ILE A 68 -3.386 -1.272 -4.146 1.00 13.14 C ATOM 0 H ILE A 68 -2.732 -1.403 -1.166 1.00 51.30 H new ATOM 0 HA ILE A 68 -4.536 -3.735 -1.278 1.00 22.41 H new ATOM 0 HB ILE A 68 -2.167 -3.255 -3.098 1.00 72.32 H new ATOM 0 HG12 ILE A 68 -4.177 -3.112 -4.860 1.00 70.24 H new ATOM 0 HG13 ILE A 68 -5.019 -2.454 -3.471 1.00 70.24 H new ATOM 0 HG21 ILE A 68 -3.195 -5.096 -4.436 1.00 13.01 H new ATOM 0 HG22 ILE A 68 -2.776 -5.614 -2.786 1.00 13.01 H new ATOM 0 HG23 ILE A 68 -4.468 -5.251 -3.203 1.00 13.01 H new ATOM 0 HD11 ILE A 68 -4.016 -0.679 -4.809 1.00 13.14 H new ATOM 0 HD12 ILE A 68 -3.265 -0.749 -3.197 1.00 13.14 H new ATOM 0 HD13 ILE A 68 -2.409 -1.417 -4.608 1.00 13.14 H new ATOM 1007 N LEU A 69 -2.763 -4.928 0.127 1.00 4.14 N ATOM 1008 CA LEU A 69 -1.748 -5.607 0.877 1.00 63.35 C ATOM 1009 C LEU A 69 -1.705 -7.073 0.529 1.00 63.15 C ATOM 1010 O LEU A 69 -2.709 -7.780 0.612 1.00 34.14 O ATOM 1011 CB LEU A 69 -1.743 -5.323 2.412 1.00 42.04 C ATOM 1012 CG LEU A 69 -3.004 -5.595 3.251 1.00 2.23 C ATOM 1013 CD1 LEU A 69 -2.644 -5.461 4.721 1.00 32.40 C ATOM 1014 CD2 LEU A 69 -4.114 -4.595 2.927 1.00 33.21 C ATOM 0 H LEU A 69 -3.712 -5.274 0.271 1.00 4.14 H new ATOM 0 HA LEU A 69 -0.804 -5.165 0.557 1.00 63.35 H new ATOM 0 HB2 LEU A 69 -0.932 -5.908 2.847 1.00 42.04 H new ATOM 0 HB3 LEU A 69 -1.485 -4.272 2.546 1.00 42.04 H new ATOM 0 HG LEU A 69 -3.364 -6.598 3.021 1.00 2.23 H new ATOM 0 HD11 LEU A 69 -3.527 -5.651 5.331 1.00 32.40 H new ATOM 0 HD12 LEU A 69 -1.867 -6.183 4.973 1.00 32.40 H new ATOM 0 HD13 LEU A 69 -2.279 -4.453 4.916 1.00 32.40 H new ATOM 0 HD21 LEU A 69 -4.991 -4.815 3.536 1.00 33.21 H new ATOM 0 HD22 LEU A 69 -3.767 -3.584 3.141 1.00 33.21 H new ATOM 0 HD23 LEU A 69 -4.377 -4.672 1.872 1.00 33.21 H new ATOM 1026 N CYS A 70 -0.571 -7.511 0.103 1.00 74.14 N ATOM 1027 CA CYS A 70 -0.380 -8.868 -0.308 1.00 5.34 C ATOM 1028 C CYS A 70 0.626 -9.502 0.612 1.00 55.03 C ATOM 1029 O CYS A 70 1.676 -8.896 0.888 1.00 42.13 O ATOM 1030 CB CYS A 70 0.122 -8.892 -1.741 1.00 21.44 C ATOM 1031 SG CYS A 70 -0.968 -8.060 -2.917 1.00 40.35 S ATOM 0 H CYS A 70 0.265 -6.932 0.027 1.00 74.14 H new ATOM 0 HA CYS A 70 -1.318 -9.421 -0.260 1.00 5.34 H new ATOM 0 HB2 CYS A 70 1.105 -8.423 -1.778 1.00 21.44 H new ATOM 0 HB3 CYS A 70 0.251 -9.929 -2.052 1.00 21.44 H new ATOM 0 HG CYS A 70 -0.455 -8.131 -4.109 1.00 40.35 H new ATOM 1037 N ASP A 71 0.336 -10.684 1.108 1.00 31.54 N ATOM 1038 CA ASP A 71 1.230 -11.295 2.055 1.00 33.42 C ATOM 1039 C ASP A 71 1.782 -12.603 1.548 1.00 60.33 C ATOM 1040 O ASP A 71 1.086 -13.393 0.935 1.00 3.22 O ATOM 1041 CB ASP A 71 0.551 -11.520 3.411 1.00 13.30 C ATOM 1042 CG ASP A 71 -0.485 -12.634 3.407 1.00 2.22 C ATOM 1043 OD1 ASP A 71 -1.636 -12.383 3.112 1.00 31.53 O ATOM 1044 OD2 ASP A 71 -0.145 -13.778 3.729 1.00 62.04 O ATOM 0 H ASP A 71 -0.494 -11.229 0.876 1.00 31.54 H new ATOM 0 HA ASP A 71 2.057 -10.597 2.185 1.00 33.42 H new ATOM 0 HB2 ASP A 71 1.314 -11.750 4.154 1.00 13.30 H new ATOM 0 HB3 ASP A 71 0.071 -10.593 3.724 1.00 13.30 H new ATOM 1049 N LYS A 72 3.042 -12.798 1.777 1.00 53.05 N ATOM 1050 CA LYS A 72 3.713 -14.032 1.488 1.00 14.03 C ATOM 1051 C LYS A 72 4.240 -14.636 2.770 1.00 11.03 C ATOM 1052 O LYS A 72 5.045 -15.567 2.736 1.00 15.13 O ATOM 1053 CB LYS A 72 4.882 -13.842 0.513 1.00 3.10 C ATOM 1054 CG LYS A 72 4.493 -13.423 -0.882 1.00 41.41 C ATOM 1055 CD LYS A 72 5.698 -13.457 -1.801 1.00 20.12 C ATOM 1056 CE LYS A 72 5.318 -13.152 -3.237 1.00 63.10 C ATOM 1057 NZ LYS A 72 6.462 -13.321 -4.154 1.00 2.44 N ATOM 0 H LYS A 72 3.651 -12.086 2.181 1.00 53.05 H new ATOM 0 HA LYS A 72 2.985 -14.694 1.019 1.00 14.03 H new ATOM 0 HB2 LYS A 72 5.559 -13.094 0.924 1.00 3.10 H new ATOM 0 HB3 LYS A 72 5.439 -14.777 0.452 1.00 3.10 H new ATOM 0 HG2 LYS A 72 3.717 -14.087 -1.265 1.00 41.41 H new ATOM 0 HG3 LYS A 72 4.071 -12.418 -0.862 1.00 41.41 H new ATOM 0 HD2 LYS A 72 6.437 -12.733 -1.459 1.00 20.12 H new ATOM 0 HD3 LYS A 72 6.167 -14.440 -1.750 1.00 20.12 H new ATOM 0 HE2 LYS A 72 4.505 -13.809 -3.545 1.00 63.10 H new ATOM 0 HE3 LYS A 72 4.945 -12.130 -3.305 1.00 63.10 H new ATOM 0 HZ1 LYS A 72 6.203 -12.975 -5.100 1.00 2.44 H new ATOM 0 HZ2 LYS A 72 7.275 -12.779 -3.798 1.00 2.44 H new ATOM 0 HZ3 LYS A 72 6.715 -14.328 -4.211 1.00 2.44 H new ATOM 1071 N PHE A 73 3.785 -14.120 3.918 1.00 5.24 N ATOM 1072 CA PHE A 73 4.234 -14.659 5.204 1.00 61.30 C ATOM 1073 C PHE A 73 3.743 -16.096 5.380 1.00 30.41 C ATOM 1074 O PHE A 73 4.314 -16.880 6.133 1.00 1.12 O ATOM 1075 CB PHE A 73 3.831 -13.762 6.416 1.00 14.22 C ATOM 1076 CG PHE A 73 2.349 -13.675 6.745 1.00 54.24 C ATOM 1077 CD1 PHE A 73 1.690 -14.728 7.369 1.00 22.10 C ATOM 1078 CD2 PHE A 73 1.636 -12.537 6.460 1.00 4.03 C ATOM 1079 CE1 PHE A 73 0.353 -14.639 7.691 1.00 64.13 C ATOM 1080 CE2 PHE A 73 0.292 -12.444 6.779 1.00 24.42 C ATOM 1081 CZ PHE A 73 -0.347 -13.496 7.393 1.00 20.44 C ATOM 0 H PHE A 73 3.122 -13.348 3.983 1.00 5.24 H new ATOM 0 HA PHE A 73 5.324 -14.662 5.187 1.00 61.30 H new ATOM 0 HB2 PHE A 73 4.353 -14.130 7.299 1.00 14.22 H new ATOM 0 HB3 PHE A 73 4.196 -12.753 6.227 1.00 14.22 H new ATOM 0 HD1 PHE A 73 2.235 -15.630 7.605 1.00 22.10 H new ATOM 0 HD2 PHE A 73 2.129 -11.704 5.981 1.00 4.03 H new ATOM 0 HE1 PHE A 73 -0.143 -15.466 8.177 1.00 64.13 H new ATOM 0 HE2 PHE A 73 -0.256 -11.543 6.545 1.00 24.42 H new ATOM 0 HZ PHE A 73 -1.396 -13.423 7.640 1.00 20.44 H new ATOM 1091 N SER A 74 2.676 -16.428 4.678 1.00 65.40 N ATOM 1092 CA SER A 74 2.130 -17.757 4.692 1.00 41.41 C ATOM 1093 C SER A 74 2.889 -18.655 3.689 1.00 31.50 C ATOM 1094 O SER A 74 2.590 -19.840 3.540 1.00 25.43 O ATOM 1095 CB SER A 74 0.626 -17.683 4.345 1.00 3.10 C ATOM 1096 OG SER A 74 -0.014 -18.952 4.421 1.00 41.23 O ATOM 0 H SER A 74 2.167 -15.775 4.082 1.00 65.40 H new ATOM 0 HA SER A 74 2.245 -18.196 5.683 1.00 41.41 H new ATOM 0 HB2 SER A 74 0.133 -16.990 5.026 1.00 3.10 H new ATOM 0 HB3 SER A 74 0.508 -17.280 3.339 1.00 3.10 H new ATOM 0 HG SER A 74 0.608 -19.650 4.129 1.00 41.23 H new ATOM 1102 N GLY A 75 3.877 -18.088 3.021 1.00 44.32 N ATOM 1103 CA GLY A 75 4.623 -18.811 2.027 1.00 12.51 C ATOM 1104 C GLY A 75 4.105 -18.503 0.653 1.00 22.45 C ATOM 1105 O GLY A 75 4.822 -17.975 -0.193 1.00 0.44 O ATOM 0 H GLY A 75 4.177 -17.122 3.156 1.00 44.32 H new ATOM 0 HA2 GLY A 75 5.678 -18.546 2.092 1.00 12.51 H new ATOM 0 HA3 GLY A 75 4.551 -19.882 2.217 1.00 12.51 H new ATOM 1109 N HIS A 76 2.838 -18.786 0.466 1.00 32.11 N ATOM 1110 CA HIS A 76 2.178 -18.528 -0.798 1.00 1.12 C ATOM 1111 C HIS A 76 1.489 -17.183 -0.720 1.00 14.20 C ATOM 1112 O HIS A 76 0.775 -16.908 0.250 1.00 13.21 O ATOM 1113 CB HIS A 76 1.196 -19.649 -1.203 1.00 13.12 C ATOM 1114 CG HIS A 76 1.853 -20.969 -1.489 1.00 44.33 C ATOM 1115 ND1 HIS A 76 1.965 -21.499 -2.756 1.00 71.04 N ATOM 1116 CD2 HIS A 76 2.423 -21.874 -0.661 1.00 11.22 C ATOM 1117 CE1 HIS A 76 2.573 -22.659 -2.693 1.00 11.31 C ATOM 1118 NE2 HIS A 76 2.861 -22.911 -1.437 1.00 2.22 N ATOM 0 H HIS A 76 2.236 -19.199 1.178 1.00 32.11 H new ATOM 0 HA HIS A 76 2.933 -18.510 -1.584 1.00 1.12 H new ATOM 0 HB2 HIS A 76 0.467 -19.784 -0.404 1.00 13.12 H new ATOM 0 HB3 HIS A 76 0.644 -19.331 -2.088 1.00 13.12 H new ATOM 0 HD2 HIS A 76 2.515 -21.793 0.412 1.00 11.22 H new ATOM 0 HE1 HIS A 76 2.799 -23.299 -3.533 1.00 11.31 H new ATOM 0 HE2 HIS A 76 3.336 -23.747 -1.095 1.00 2.22 H new ATOM 1127 N PRO A 77 1.708 -16.327 -1.716 1.00 3.43 N ATOM 1128 CA PRO A 77 1.188 -14.948 -1.719 1.00 63.41 C ATOM 1129 C PRO A 77 -0.338 -14.854 -1.704 1.00 72.13 C ATOM 1130 O PRO A 77 -1.014 -15.378 -2.601 1.00 20.22 O ATOM 1131 CB PRO A 77 1.722 -14.377 -3.047 1.00 53.31 C ATOM 1132 CG PRO A 77 2.050 -15.561 -3.884 1.00 10.43 C ATOM 1133 CD PRO A 77 2.488 -16.622 -2.935 1.00 21.02 C ATOM 0 HA PRO A 77 1.503 -14.416 -0.821 1.00 63.41 H new ATOM 0 HB2 PRO A 77 0.976 -13.748 -3.532 1.00 53.31 H new ATOM 0 HB3 PRO A 77 2.603 -13.757 -2.882 1.00 53.31 H new ATOM 0 HG2 PRO A 77 1.183 -15.885 -4.459 1.00 10.43 H new ATOM 0 HG3 PRO A 77 2.838 -15.327 -4.600 1.00 10.43 H new ATOM 0 HD2 PRO A 77 2.273 -17.619 -3.319 1.00 21.02 H new ATOM 0 HD3 PRO A 77 3.561 -16.577 -2.747 1.00 21.02 H new ATOM 1141 N LYS A 78 -0.890 -14.239 -0.680 1.00 14.21 N ATOM 1142 CA LYS A 78 -2.297 -13.938 -0.654 1.00 71.14 C ATOM 1143 C LYS A 78 -2.452 -12.466 -0.925 1.00 41.03 C ATOM 1144 O LYS A 78 -1.479 -11.787 -1.277 1.00 73.05 O ATOM 1145 CB LYS A 78 -2.935 -14.226 0.710 1.00 14.55 C ATOM 1146 CG LYS A 78 -2.613 -15.563 1.318 1.00 75.35 C ATOM 1147 CD LYS A 78 -3.652 -15.972 2.371 1.00 43.50 C ATOM 1148 CE LYS A 78 -3.902 -14.905 3.445 1.00 33.31 C ATOM 1149 NZ LYS A 78 -2.703 -14.585 4.237 1.00 22.21 N ATOM 0 H LYS A 78 -0.378 -13.938 0.149 1.00 14.21 H new ATOM 0 HA LYS A 78 -2.790 -14.563 -1.398 1.00 71.14 H new ATOM 0 HB2 LYS A 78 -2.623 -13.448 1.406 1.00 14.55 H new ATOM 0 HB3 LYS A 78 -4.017 -14.147 0.607 1.00 14.55 H new ATOM 0 HG2 LYS A 78 -2.572 -16.319 0.534 1.00 75.35 H new ATOM 0 HG3 LYS A 78 -1.625 -15.526 1.777 1.00 75.35 H new ATOM 0 HD2 LYS A 78 -4.594 -16.197 1.870 1.00 43.50 H new ATOM 0 HD3 LYS A 78 -3.322 -16.891 2.856 1.00 43.50 H new ATOM 0 HE2 LYS A 78 -4.266 -13.996 2.966 1.00 33.31 H new ATOM 0 HE3 LYS A 78 -4.690 -15.251 4.114 1.00 33.31 H new ATOM 0 HZ1 LYS A 78 -2.827 -14.932 5.210 1.00 22.21 H new ATOM 0 HZ2 LYS A 78 -1.872 -15.042 3.809 1.00 22.21 H new ATOM 0 HZ3 LYS A 78 -2.562 -13.555 4.252 1.00 22.21 H new ATOM 1163 N GLY A 79 -3.633 -11.962 -0.723 1.00 42.43 N ATOM 1164 CA GLY A 79 -3.860 -10.595 -0.964 1.00 31.51 C ATOM 1165 C GLY A 79 -5.203 -10.148 -0.513 1.00 71.23 C ATOM 1166 O GLY A 79 -6.196 -10.868 -0.640 1.00 52.20 O ATOM 0 H GLY A 79 -4.443 -12.487 -0.393 1.00 42.43 H new ATOM 0 HA2 GLY A 79 -3.096 -10.009 -0.453 1.00 31.51 H new ATOM 0 HA3 GLY A 79 -3.755 -10.396 -2.030 1.00 31.51 H new ATOM 1170 N TYR A 80 -5.229 -8.975 0.013 1.00 54.21 N ATOM 1171 CA TYR A 80 -6.421 -8.322 0.433 1.00 52.21 C ATOM 1172 C TYR A 80 -6.227 -6.833 0.331 1.00 41.24 C ATOM 1173 O TYR A 80 -5.130 -6.337 0.504 1.00 3.43 O ATOM 1174 CB TYR A 80 -6.936 -8.818 1.809 1.00 44.53 C ATOM 1175 CG TYR A 80 -5.935 -8.844 2.950 1.00 1.55 C ATOM 1176 CD1 TYR A 80 -4.994 -9.866 3.044 1.00 44.12 C ATOM 1177 CD2 TYR A 80 -5.943 -7.877 3.938 1.00 44.35 C ATOM 1178 CE1 TYR A 80 -4.095 -9.919 4.080 1.00 42.50 C ATOM 1179 CE2 TYR A 80 -5.041 -7.924 4.981 1.00 63.14 C ATOM 1180 CZ TYR A 80 -4.117 -8.951 5.043 1.00 25.43 C ATOM 1181 OH TYR A 80 -3.208 -9.002 6.072 1.00 12.51 O ATOM 0 H TYR A 80 -4.387 -8.420 0.169 1.00 54.21 H new ATOM 0 HA TYR A 80 -7.235 -8.592 -0.240 1.00 52.21 H new ATOM 0 HB2 TYR A 80 -7.772 -8.185 2.106 1.00 44.53 H new ATOM 0 HB3 TYR A 80 -7.329 -9.826 1.680 1.00 44.53 H new ATOM 0 HD1 TYR A 80 -4.971 -10.634 2.285 1.00 44.12 H new ATOM 0 HD2 TYR A 80 -6.664 -7.075 3.893 1.00 44.35 H new ATOM 0 HE1 TYR A 80 -3.374 -10.722 4.133 1.00 42.50 H new ATOM 0 HE2 TYR A 80 -5.057 -7.162 5.746 1.00 63.14 H new ATOM 0 HH TYR A 80 -3.353 -8.242 6.674 1.00 12.51 H new ATOM 1191 N ALA A 81 -7.255 -6.138 -0.002 1.00 44.34 N ATOM 1192 CA ALA A 81 -7.155 -4.741 -0.276 1.00 12.15 C ATOM 1193 C ALA A 81 -8.329 -3.991 0.290 1.00 34.43 C ATOM 1194 O ALA A 81 -9.356 -4.569 0.584 1.00 43.24 O ATOM 1195 CB ALA A 81 -7.087 -4.527 -1.785 1.00 50.10 C ATOM 0 H ALA A 81 -8.196 -6.520 -0.094 1.00 44.34 H new ATOM 0 HA ALA A 81 -6.250 -4.359 0.196 1.00 12.15 H new ATOM 0 HB1 ALA A 81 -7.011 -3.461 -1.998 1.00 50.10 H new ATOM 0 HB2 ALA A 81 -6.214 -5.041 -2.186 1.00 50.10 H new ATOM 0 HB3 ALA A 81 -7.988 -4.926 -2.250 1.00 50.10 H new ATOM 1201 N TYR A 82 -8.155 -2.718 0.470 1.00 35.03 N ATOM 1202 CA TYR A 82 -9.206 -1.849 0.904 1.00 23.13 C ATOM 1203 C TYR A 82 -9.378 -0.753 -0.101 1.00 53.51 C ATOM 1204 O TYR A 82 -8.425 -0.052 -0.422 1.00 43.55 O ATOM 1205 CB TYR A 82 -8.885 -1.229 2.263 1.00 61.33 C ATOM 1206 CG TYR A 82 -8.680 -2.229 3.358 1.00 45.43 C ATOM 1207 CD1 TYR A 82 -9.734 -2.988 3.814 1.00 55.12 C ATOM 1208 CD2 TYR A 82 -7.439 -2.404 3.945 1.00 52.11 C ATOM 1209 CE1 TYR A 82 -9.566 -3.900 4.823 1.00 24.12 C ATOM 1210 CE2 TYR A 82 -7.259 -3.319 4.959 1.00 4.33 C ATOM 1211 CZ TYR A 82 -8.333 -4.065 5.390 1.00 44.20 C ATOM 1212 OH TYR A 82 -8.176 -4.986 6.376 1.00 30.11 O ATOM 0 H TYR A 82 -7.264 -2.245 0.317 1.00 35.03 H new ATOM 0 HA TYR A 82 -10.121 -2.434 0.998 1.00 23.13 H new ATOM 0 HB2 TYR A 82 -7.986 -0.620 2.169 1.00 61.33 H new ATOM 0 HB3 TYR A 82 -9.697 -0.558 2.545 1.00 61.33 H new ATOM 0 HD1 TYR A 82 -10.710 -2.863 3.369 1.00 55.12 H new ATOM 0 HD2 TYR A 82 -6.600 -1.815 3.604 1.00 52.11 H new ATOM 0 HE1 TYR A 82 -10.405 -4.486 5.169 1.00 24.12 H new ATOM 0 HE2 TYR A 82 -6.287 -3.450 5.411 1.00 4.33 H new ATOM 0 HH TYR A 82 -7.244 -4.987 6.677 1.00 30.11 H new ATOM 1222 N ILE A 83 -10.555 -0.619 -0.618 1.00 32.12 N ATOM 1223 CA ILE A 83 -10.846 0.429 -1.563 1.00 21.12 C ATOM 1224 C ILE A 83 -11.616 1.499 -0.803 1.00 14.23 C ATOM 1225 O ILE A 83 -12.667 1.209 -0.224 1.00 10.43 O ATOM 1226 CB ILE A 83 -11.716 -0.118 -2.732 1.00 71.45 C ATOM 1227 CG1 ILE A 83 -11.078 -1.394 -3.332 1.00 62.43 C ATOM 1228 CG2 ILE A 83 -11.909 0.942 -3.806 1.00 42.14 C ATOM 1229 CD1 ILE A 83 -9.711 -1.207 -3.965 1.00 73.03 C ATOM 0 H ILE A 83 -11.346 -1.227 -0.403 1.00 32.12 H new ATOM 0 HA ILE A 83 -9.928 0.829 -1.993 1.00 21.12 H new ATOM 0 HB ILE A 83 -12.697 -0.378 -2.334 1.00 71.45 H new ATOM 0 HG12 ILE A 83 -10.995 -2.142 -2.544 1.00 62.43 H new ATOM 0 HG13 ILE A 83 -11.755 -1.798 -4.085 1.00 62.43 H new ATOM 0 HG21 ILE A 83 -12.520 0.536 -4.612 1.00 42.14 H new ATOM 0 HG22 ILE A 83 -12.407 1.810 -3.375 1.00 42.14 H new ATOM 0 HG23 ILE A 83 -10.938 1.240 -4.202 1.00 42.14 H new ATOM 0 HD11 ILE A 83 -9.356 -2.162 -4.353 1.00 73.03 H new ATOM 0 HD12 ILE A 83 -9.783 -0.488 -4.781 1.00 73.03 H new ATOM 0 HD13 ILE A 83 -9.011 -0.837 -3.216 1.00 73.03 H new ATOM 1241 N GLU A 84 -11.084 2.691 -0.752 1.00 30.41 N ATOM 1242 CA GLU A 84 -11.694 3.752 0.010 1.00 33.14 C ATOM 1243 C GLU A 84 -12.335 4.774 -0.933 1.00 53.11 C ATOM 1244 O GLU A 84 -11.650 5.400 -1.764 1.00 35.21 O ATOM 1245 CB GLU A 84 -10.626 4.385 0.913 1.00 34.25 C ATOM 1246 CG GLU A 84 -9.903 3.335 1.774 1.00 2.33 C ATOM 1247 CD GLU A 84 -8.847 3.891 2.708 1.00 44.35 C ATOM 1248 OE1 GLU A 84 -7.703 4.078 2.277 1.00 51.24 O ATOM 1249 OE2 GLU A 84 -9.133 4.070 3.907 1.00 12.03 O ATOM 0 H GLU A 84 -10.223 2.954 -1.232 1.00 30.41 H new ATOM 0 HA GLU A 84 -12.491 3.361 0.643 1.00 33.14 H new ATOM 0 HB2 GLU A 84 -9.898 4.913 0.298 1.00 34.25 H new ATOM 0 HB3 GLU A 84 -11.093 5.127 1.561 1.00 34.25 H new ATOM 0 HG2 GLU A 84 -10.645 2.799 2.366 1.00 2.33 H new ATOM 0 HG3 GLU A 84 -9.435 2.605 1.114 1.00 2.33 H new ATOM 1256 N PHE A 85 -13.632 4.943 -0.805 1.00 72.04 N ATOM 1257 CA PHE A 85 -14.403 5.787 -1.699 1.00 11.23 C ATOM 1258 C PHE A 85 -14.704 7.153 -1.095 1.00 41.21 C ATOM 1259 O PHE A 85 -14.485 7.391 0.091 1.00 13.53 O ATOM 1260 CB PHE A 85 -15.733 5.122 -2.053 1.00 31.34 C ATOM 1261 CG PHE A 85 -15.634 3.793 -2.745 1.00 53.22 C ATOM 1262 CD1 PHE A 85 -15.451 3.723 -4.113 1.00 33.53 C ATOM 1263 CD2 PHE A 85 -15.753 2.618 -2.029 1.00 44.22 C ATOM 1264 CE1 PHE A 85 -15.382 2.505 -4.751 1.00 4.33 C ATOM 1265 CE2 PHE A 85 -15.688 1.399 -2.661 1.00 30.05 C ATOM 1266 CZ PHE A 85 -15.503 1.342 -4.023 1.00 62.41 C ATOM 0 H PHE A 85 -14.187 4.498 -0.075 1.00 72.04 H new ATOM 0 HA PHE A 85 -13.791 5.924 -2.590 1.00 11.23 H new ATOM 0 HB2 PHE A 85 -16.308 4.991 -1.136 1.00 31.34 H new ATOM 0 HB3 PHE A 85 -16.299 5.801 -2.690 1.00 31.34 H new ATOM 0 HD1 PHE A 85 -15.361 4.633 -4.687 1.00 33.53 H new ATOM 0 HD2 PHE A 85 -15.899 2.657 -0.960 1.00 44.22 H new ATOM 0 HE1 PHE A 85 -15.233 2.462 -5.820 1.00 4.33 H new ATOM 0 HE2 PHE A 85 -15.782 0.488 -2.089 1.00 30.05 H new ATOM 0 HZ PHE A 85 -15.453 0.385 -4.521 1.00 62.41 H new ATOM 1276 N ALA A 86 -15.170 8.050 -1.941 1.00 64.42 N ATOM 1277 CA ALA A 86 -15.616 9.359 -1.524 1.00 5.15 C ATOM 1278 C ALA A 86 -17.056 9.332 -1.034 1.00 5.24 C ATOM 1279 O ALA A 86 -17.417 10.086 -0.148 1.00 72.35 O ATOM 1280 CB ALA A 86 -15.444 10.368 -2.641 1.00 72.40 C ATOM 0 H ALA A 86 -15.249 7.887 -2.945 1.00 64.42 H new ATOM 0 HA ALA A 86 -14.991 9.666 -0.685 1.00 5.15 H new ATOM 0 HB1 ALA A 86 -15.787 11.346 -2.304 1.00 72.40 H new ATOM 0 HB2 ALA A 86 -14.392 10.428 -2.918 1.00 72.40 H new ATOM 0 HB3 ALA A 86 -16.030 10.057 -3.506 1.00 72.40 H new ATOM 1286 N GLU A 87 -17.880 8.477 -1.616 1.00 44.45 N ATOM 1287 CA GLU A 87 -19.252 8.349 -1.176 1.00 13.31 C ATOM 1288 C GLU A 87 -19.425 7.073 -0.367 1.00 34.30 C ATOM 1289 O GLU A 87 -18.813 6.053 -0.670 1.00 32.44 O ATOM 1290 CB GLU A 87 -20.260 8.343 -2.354 1.00 32.13 C ATOM 1291 CG GLU A 87 -20.396 9.637 -3.175 1.00 4.22 C ATOM 1292 CD GLU A 87 -19.173 10.022 -3.982 1.00 62.32 C ATOM 1293 OE1 GLU A 87 -18.878 9.349 -4.996 1.00 62.32 O ATOM 1294 OE2 GLU A 87 -18.540 11.043 -3.663 1.00 12.13 O ATOM 0 H GLU A 87 -17.621 7.866 -2.390 1.00 44.45 H new ATOM 0 HA GLU A 87 -19.466 9.223 -0.560 1.00 13.31 H new ATOM 0 HB2 GLU A 87 -19.978 7.540 -3.035 1.00 32.13 H new ATOM 0 HB3 GLU A 87 -21.243 8.092 -1.955 1.00 32.13 H new ATOM 0 HG2 GLU A 87 -21.241 9.529 -3.855 1.00 4.22 H new ATOM 0 HG3 GLU A 87 -20.636 10.455 -2.496 1.00 4.22 H new ATOM 1301 N ARG A 88 -20.259 7.127 0.658 1.00 31.32 N ATOM 1302 CA ARG A 88 -20.558 5.948 1.478 1.00 64.31 C ATOM 1303 C ARG A 88 -21.459 5.042 0.609 1.00 75.22 C ATOM 1304 O ARG A 88 -21.442 3.807 0.691 1.00 34.44 O ATOM 1305 CB ARG A 88 -21.319 6.404 2.748 1.00 73.20 C ATOM 1306 CG ARG A 88 -21.107 5.554 4.020 1.00 31.33 C ATOM 1307 CD ARG A 88 -21.445 4.076 3.863 1.00 31.41 C ATOM 1308 NE ARG A 88 -22.842 3.827 3.479 1.00 34.23 N ATOM 1309 CZ ARG A 88 -23.464 2.652 3.649 1.00 75.42 C ATOM 1310 NH1 ARG A 88 -22.867 1.674 4.345 1.00 55.44 N ATOM 1311 NH2 ARG A 88 -24.684 2.467 3.160 1.00 52.43 N ATOM 0 H ARG A 88 -20.746 7.975 0.949 1.00 31.32 H new ATOM 0 HA ARG A 88 -19.658 5.419 1.790 1.00 64.31 H new ATOM 0 HB2 ARG A 88 -21.027 7.430 2.971 1.00 73.20 H new ATOM 0 HB3 ARG A 88 -22.385 6.418 2.521 1.00 73.20 H new ATOM 0 HG2 ARG A 88 -20.066 5.643 4.331 1.00 31.33 H new ATOM 0 HG3 ARG A 88 -21.716 5.969 4.823 1.00 31.33 H new ATOM 0 HD2 ARG A 88 -20.787 3.640 3.111 1.00 31.41 H new ATOM 0 HD3 ARG A 88 -21.239 3.563 4.803 1.00 31.41 H new ATOM 0 HE ARG A 88 -23.369 4.593 3.059 1.00 34.23 H new ATOM 0 HH11 ARG A 88 -21.941 1.825 4.744 1.00 55.44 H new ATOM 0 HH12 ARG A 88 -23.339 0.779 4.475 1.00 55.44 H new ATOM 0 HH21 ARG A 88 -25.150 3.220 2.654 1.00 52.43 H new ATOM 0 HH22 ARG A 88 -25.155 1.572 3.291 1.00 52.43 H new ATOM 1325 N ASN A 89 -22.207 5.699 -0.252 1.00 11.02 N ATOM 1326 CA ASN A 89 -23.100 5.055 -1.211 1.00 11.32 C ATOM 1327 C ASN A 89 -22.316 4.156 -2.141 1.00 70.45 C ATOM 1328 O ASN A 89 -22.836 3.170 -2.644 1.00 15.43 O ATOM 1329 CB ASN A 89 -23.807 6.115 -2.045 1.00 32.11 C ATOM 1330 CG ASN A 89 -24.739 6.993 -1.258 1.00 1.22 C ATOM 1331 OD1 ASN A 89 -24.313 7.962 -0.645 1.00 71.15 O ATOM 1332 ND2 ASN A 89 -26.012 6.717 -1.336 1.00 71.15 N ATOM 0 H ASN A 89 -22.216 6.717 -0.312 1.00 11.02 H new ATOM 0 HA ASN A 89 -23.828 4.461 -0.658 1.00 11.32 H new ATOM 0 HB2 ASN A 89 -23.057 6.741 -2.529 1.00 32.11 H new ATOM 0 HB3 ASN A 89 -24.371 5.622 -2.837 1.00 32.11 H new ATOM 0 HD21 ASN A 89 -26.694 7.320 -0.875 1.00 71.15 H new ATOM 0 HD22 ASN A 89 -26.325 5.898 -1.858 1.00 71.15 H new ATOM 1339 N SER A 90 -21.054 4.491 -2.364 1.00 33.21 N ATOM 1340 CA SER A 90 -20.205 3.728 -3.224 1.00 50.52 C ATOM 1341 C SER A 90 -19.919 2.359 -2.629 1.00 31.25 C ATOM 1342 O SER A 90 -19.837 1.369 -3.357 1.00 42.41 O ATOM 1343 CB SER A 90 -18.917 4.488 -3.457 1.00 50.02 C ATOM 1344 OG SER A 90 -19.184 5.781 -3.969 1.00 62.03 O ATOM 0 H SER A 90 -20.602 5.304 -1.946 1.00 33.21 H new ATOM 0 HA SER A 90 -20.711 3.574 -4.177 1.00 50.52 H new ATOM 0 HB2 SER A 90 -18.363 4.569 -2.522 1.00 50.02 H new ATOM 0 HB3 SER A 90 -18.286 3.938 -4.155 1.00 50.02 H new ATOM 0 HG SER A 90 -18.339 6.257 -4.111 1.00 62.03 H new ATOM 1350 N VAL A 91 -19.777 2.293 -1.293 1.00 11.32 N ATOM 1351 CA VAL A 91 -19.524 1.006 -0.660 1.00 32.52 C ATOM 1352 C VAL A 91 -20.718 0.122 -0.887 1.00 12.40 C ATOM 1353 O VAL A 91 -20.571 -1.051 -1.165 1.00 74.14 O ATOM 1354 CB VAL A 91 -19.171 1.069 0.876 1.00 64.12 C ATOM 1355 CG1 VAL A 91 -18.178 2.143 1.171 1.00 3.33 C ATOM 1356 CG2 VAL A 91 -20.373 1.120 1.826 1.00 70.40 C ATOM 0 H VAL A 91 -19.832 3.090 -0.658 1.00 11.32 H new ATOM 0 HA VAL A 91 -18.626 0.602 -1.128 1.00 32.52 H new ATOM 0 HB VAL A 91 -18.708 0.105 1.087 1.00 64.12 H new ATOM 0 HG11 VAL A 91 -17.961 2.154 2.239 1.00 3.33 H new ATOM 0 HG12 VAL A 91 -17.260 1.952 0.616 1.00 3.33 H new ATOM 0 HG13 VAL A 91 -18.587 3.109 0.874 1.00 3.33 H new ATOM 0 HG21 VAL A 91 -20.021 1.161 2.857 1.00 70.40 H new ATOM 0 HG22 VAL A 91 -20.970 2.006 1.611 1.00 70.40 H new ATOM 0 HG23 VAL A 91 -20.985 0.229 1.687 1.00 70.40 H new ATOM 1366 N ASP A 92 -21.913 0.729 -0.806 1.00 75.34 N ATOM 1367 CA ASP A 92 -23.187 0.035 -1.041 1.00 14.40 C ATOM 1368 C ASP A 92 -23.193 -0.627 -2.423 1.00 35.14 C ATOM 1369 O ASP A 92 -23.672 -1.749 -2.592 1.00 11.42 O ATOM 1370 CB ASP A 92 -24.331 1.051 -0.941 1.00 12.14 C ATOM 1371 CG ASP A 92 -25.715 0.436 -1.025 1.00 42.12 C ATOM 1372 OD1 ASP A 92 -26.240 0.005 0.026 1.00 71.55 O ATOM 1373 OD2 ASP A 92 -26.312 0.418 -2.121 1.00 13.35 O ATOM 0 H ASP A 92 -22.022 1.717 -0.575 1.00 75.34 H new ATOM 0 HA ASP A 92 -23.317 -0.745 -0.290 1.00 14.40 H new ATOM 0 HB2 ASP A 92 -24.242 1.591 0.002 1.00 12.14 H new ATOM 0 HB3 ASP A 92 -24.222 1.784 -1.740 1.00 12.14 H new ATOM 1378 N ALA A 93 -22.640 0.066 -3.394 1.00 43.30 N ATOM 1379 CA ALA A 93 -22.546 -0.446 -4.746 1.00 62.33 C ATOM 1380 C ALA A 93 -21.464 -1.532 -4.862 1.00 41.23 C ATOM 1381 O ALA A 93 -21.635 -2.520 -5.574 1.00 20.13 O ATOM 1382 CB ALA A 93 -22.285 0.686 -5.719 1.00 51.04 C ATOM 0 H ALA A 93 -22.244 0.998 -3.271 1.00 43.30 H new ATOM 0 HA ALA A 93 -23.500 -0.909 -5.000 1.00 62.33 H new ATOM 0 HB1 ALA A 93 -22.217 0.287 -6.731 1.00 51.04 H new ATOM 0 HB2 ALA A 93 -23.102 1.406 -5.667 1.00 51.04 H new ATOM 0 HB3 ALA A 93 -21.349 1.180 -5.460 1.00 51.04 H new ATOM 1388 N ALA A 94 -20.363 -1.345 -4.145 1.00 23.45 N ATOM 1389 CA ALA A 94 -19.236 -2.277 -4.204 1.00 32.35 C ATOM 1390 C ALA A 94 -19.570 -3.600 -3.511 1.00 54.24 C ATOM 1391 O ALA A 94 -19.296 -4.675 -4.037 1.00 2.41 O ATOM 1392 CB ALA A 94 -17.994 -1.643 -3.580 1.00 45.24 C ATOM 0 H ALA A 94 -20.223 -0.556 -3.514 1.00 23.45 H new ATOM 0 HA ALA A 94 -19.032 -2.495 -5.252 1.00 32.35 H new ATOM 0 HB1 ALA A 94 -17.163 -2.346 -3.630 1.00 45.24 H new ATOM 0 HB2 ALA A 94 -17.735 -0.736 -4.126 1.00 45.24 H new ATOM 0 HB3 ALA A 94 -18.197 -1.394 -2.538 1.00 45.24 H new ATOM 1398 N VAL A 95 -20.168 -3.499 -2.333 1.00 31.11 N ATOM 1399 CA VAL A 95 -20.590 -4.665 -1.537 1.00 51.31 C ATOM 1400 C VAL A 95 -21.542 -5.593 -2.289 1.00 71.42 C ATOM 1401 O VAL A 95 -21.661 -6.760 -1.950 1.00 21.44 O ATOM 1402 CB VAL A 95 -21.183 -4.292 -0.153 1.00 73.40 C ATOM 1403 CG1 VAL A 95 -20.177 -3.515 0.666 1.00 10.41 C ATOM 1404 CG2 VAL A 95 -22.490 -3.528 -0.278 1.00 2.34 C ATOM 0 H VAL A 95 -20.380 -2.604 -1.891 1.00 31.11 H new ATOM 0 HA VAL A 95 -19.664 -5.211 -1.356 1.00 51.31 H new ATOM 0 HB VAL A 95 -21.408 -5.224 0.366 1.00 73.40 H new ATOM 0 HG11 VAL A 95 -20.612 -3.263 1.633 1.00 10.41 H new ATOM 0 HG12 VAL A 95 -19.284 -4.122 0.817 1.00 10.41 H new ATOM 0 HG13 VAL A 95 -19.908 -2.599 0.139 1.00 10.41 H new ATOM 0 HG21 VAL A 95 -22.868 -3.288 0.716 1.00 2.34 H new ATOM 0 HG22 VAL A 95 -22.321 -2.606 -0.834 1.00 2.34 H new ATOM 0 HG23 VAL A 95 -23.221 -4.141 -0.806 1.00 2.34 H new ATOM 1414 N ALA A 96 -22.222 -5.073 -3.310 1.00 41.31 N ATOM 1415 CA ALA A 96 -23.118 -5.884 -4.137 1.00 72.43 C ATOM 1416 C ALA A 96 -22.325 -6.944 -4.926 1.00 30.25 C ATOM 1417 O ALA A 96 -22.880 -7.936 -5.400 1.00 2.52 O ATOM 1418 CB ALA A 96 -23.903 -4.997 -5.088 1.00 22.33 C ATOM 0 H ALA A 96 -22.170 -4.092 -3.586 1.00 41.31 H new ATOM 0 HA ALA A 96 -23.817 -6.400 -3.479 1.00 72.43 H new ATOM 0 HB1 ALA A 96 -24.565 -5.613 -5.697 1.00 22.33 H new ATOM 0 HB2 ALA A 96 -24.496 -4.284 -4.515 1.00 22.33 H new ATOM 0 HB3 ALA A 96 -23.212 -4.457 -5.736 1.00 22.33 H new ATOM 1424 N MET A 97 -21.028 -6.730 -5.029 1.00 13.22 N ATOM 1425 CA MET A 97 -20.139 -7.640 -5.739 1.00 40.14 C ATOM 1426 C MET A 97 -19.411 -8.558 -4.758 1.00 73.03 C ATOM 1427 O MET A 97 -18.505 -9.276 -5.148 1.00 62.12 O ATOM 1428 CB MET A 97 -19.087 -6.868 -6.560 1.00 72.43 C ATOM 1429 CG MET A 97 -19.647 -5.947 -7.635 1.00 50.24 C ATOM 1430 SD MET A 97 -18.345 -5.182 -8.651 1.00 43.41 S ATOM 1431 CE MET A 97 -17.391 -4.302 -7.417 1.00 21.52 C ATOM 0 H MET A 97 -20.557 -5.921 -4.624 1.00 13.22 H new ATOM 0 HA MET A 97 -20.758 -8.232 -6.413 1.00 40.14 H new ATOM 0 HB2 MET A 97 -18.481 -6.274 -5.876 1.00 72.43 H new ATOM 0 HB3 MET A 97 -18.420 -7.588 -7.034 1.00 72.43 H new ATOM 0 HG2 MET A 97 -20.319 -6.514 -8.279 1.00 50.24 H new ATOM 0 HG3 MET A 97 -20.242 -5.164 -7.164 1.00 50.24 H new ATOM 0 HE1 MET A 97 -17.015 -3.372 -7.843 1.00 21.52 H new ATOM 0 HE2 MET A 97 -18.025 -4.078 -6.559 1.00 21.52 H new ATOM 0 HE3 MET A 97 -16.552 -4.920 -7.097 1.00 21.52 H new ATOM 1441 N ASP A 98 -19.809 -8.509 -3.484 1.00 23.23 N ATOM 1442 CA ASP A 98 -19.158 -9.283 -2.394 1.00 54.13 C ATOM 1443 C ASP A 98 -18.782 -10.723 -2.744 1.00 3.14 C ATOM 1444 O ASP A 98 -17.739 -11.171 -2.329 1.00 32.32 O ATOM 1445 CB ASP A 98 -19.992 -9.295 -1.091 1.00 41.53 C ATOM 1446 CG ASP A 98 -21.127 -10.288 -1.085 1.00 61.31 C ATOM 1447 OD1 ASP A 98 -22.173 -10.021 -1.701 1.00 25.44 O ATOM 1448 OD2 ASP A 98 -20.977 -11.363 -0.435 1.00 42.02 O ATOM 0 H ASP A 98 -20.590 -7.935 -3.167 1.00 23.23 H new ATOM 0 HA ASP A 98 -18.227 -8.737 -2.242 1.00 54.13 H new ATOM 0 HB2 ASP A 98 -19.330 -9.513 -0.253 1.00 41.53 H new ATOM 0 HB3 ASP A 98 -20.398 -8.297 -0.925 1.00 41.53 H new ATOM 1453 N GLU A 99 -19.646 -11.459 -3.437 1.00 62.15 N ATOM 1454 CA GLU A 99 -19.372 -12.853 -3.753 1.00 64.34 C ATOM 1455 C GLU A 99 -19.026 -13.065 -5.258 1.00 42.43 C ATOM 1456 O GLU A 99 -19.033 -14.198 -5.751 1.00 42.11 O ATOM 1457 CB GLU A 99 -20.644 -13.638 -3.380 1.00 53.21 C ATOM 1458 CG GLU A 99 -20.565 -15.149 -3.471 1.00 50.54 C ATOM 1459 CD GLU A 99 -21.876 -15.785 -3.135 1.00 42.14 C ATOM 1460 OE1 GLU A 99 -22.820 -15.686 -3.949 1.00 43.04 O ATOM 1461 OE2 GLU A 99 -22.008 -16.359 -2.034 1.00 63.11 O ATOM 0 H GLU A 99 -20.539 -11.113 -3.789 1.00 62.15 H new ATOM 0 HA GLU A 99 -18.500 -13.197 -3.196 1.00 64.34 H new ATOM 0 HB2 GLU A 99 -20.920 -13.373 -2.359 1.00 53.21 H new ATOM 0 HB3 GLU A 99 -21.454 -13.300 -4.027 1.00 53.21 H new ATOM 0 HG2 GLU A 99 -20.266 -15.439 -4.478 1.00 50.54 H new ATOM 0 HG3 GLU A 99 -19.796 -15.516 -2.791 1.00 50.54 H new ATOM 1468 N THR A 100 -18.698 -12.019 -5.974 1.00 54.02 N ATOM 1469 CA THR A 100 -18.425 -12.197 -7.386 1.00 73.44 C ATOM 1470 C THR A 100 -16.974 -12.697 -7.582 1.00 71.34 C ATOM 1471 O THR A 100 -16.193 -12.805 -6.614 1.00 4.33 O ATOM 1472 CB THR A 100 -18.680 -10.893 -8.226 1.00 13.35 C ATOM 1473 OG1 THR A 100 -18.710 -11.213 -9.640 1.00 21.23 O ATOM 1474 CG2 THR A 100 -17.574 -9.868 -7.993 1.00 64.41 C ATOM 0 H THR A 100 -18.614 -11.065 -5.623 1.00 54.02 H new ATOM 0 HA THR A 100 -19.124 -12.946 -7.759 1.00 73.44 H new ATOM 0 HB THR A 100 -19.635 -10.476 -7.908 1.00 13.35 H new ATOM 0 HG1 THR A 100 -18.871 -10.396 -10.157 1.00 21.23 H new ATOM 0 HG21 THR A 100 -17.774 -8.975 -8.586 1.00 64.41 H new ATOM 0 HG22 THR A 100 -17.541 -9.602 -6.936 1.00 64.41 H new ATOM 0 HG23 THR A 100 -16.615 -10.293 -8.290 1.00 64.41 H new ATOM 1482 N VAL A 101 -16.615 -12.991 -8.798 1.00 64.34 N ATOM 1483 CA VAL A 101 -15.303 -13.472 -9.095 1.00 54.13 C ATOM 1484 C VAL A 101 -14.492 -12.416 -9.833 1.00 11.31 C ATOM 1485 O VAL A 101 -14.856 -11.964 -10.922 1.00 12.11 O ATOM 1486 CB VAL A 101 -15.318 -14.829 -9.876 1.00 25.25 C ATOM 1487 CG1 VAL A 101 -15.845 -15.946 -8.992 1.00 41.23 C ATOM 1488 CG2 VAL A 101 -16.174 -14.732 -11.129 1.00 4.32 C ATOM 0 H VAL A 101 -17.226 -12.903 -9.610 1.00 64.34 H new ATOM 0 HA VAL A 101 -14.817 -13.673 -8.141 1.00 54.13 H new ATOM 0 HB VAL A 101 -14.292 -15.051 -10.169 1.00 25.25 H new ATOM 0 HG11 VAL A 101 -15.848 -16.882 -9.551 1.00 41.23 H new ATOM 0 HG12 VAL A 101 -15.205 -16.049 -8.116 1.00 41.23 H new ATOM 0 HG13 VAL A 101 -16.860 -15.710 -8.674 1.00 41.23 H new ATOM 0 HG21 VAL A 101 -16.165 -15.689 -11.651 1.00 4.32 H new ATOM 0 HG22 VAL A 101 -17.197 -14.479 -10.852 1.00 4.32 H new ATOM 0 HG23 VAL A 101 -15.774 -13.958 -11.784 1.00 4.32 H new ATOM 1498 N PHE A 102 -13.412 -12.009 -9.235 1.00 23.13 N ATOM 1499 CA PHE A 102 -12.551 -11.038 -9.829 1.00 5.24 C ATOM 1500 C PHE A 102 -11.499 -11.783 -10.611 1.00 23.34 C ATOM 1501 O PHE A 102 -10.738 -12.569 -10.042 1.00 24.41 O ATOM 1502 CB PHE A 102 -11.920 -10.149 -8.756 1.00 11.22 C ATOM 1503 CG PHE A 102 -11.136 -8.976 -9.286 1.00 20.04 C ATOM 1504 CD1 PHE A 102 -11.785 -7.795 -9.614 1.00 70.10 C ATOM 1505 CD2 PHE A 102 -9.763 -9.047 -9.445 1.00 62.23 C ATOM 1506 CE1 PHE A 102 -11.078 -6.708 -10.089 1.00 74.34 C ATOM 1507 CE2 PHE A 102 -9.053 -7.962 -9.925 1.00 52.21 C ATOM 1508 CZ PHE A 102 -9.711 -6.793 -10.248 1.00 11.24 C ATOM 0 H PHE A 102 -13.105 -12.343 -8.321 1.00 23.13 H new ATOM 0 HA PHE A 102 -13.113 -10.381 -10.493 1.00 5.24 H new ATOM 0 HB2 PHE A 102 -12.709 -9.775 -8.104 1.00 11.22 H new ATOM 0 HB3 PHE A 102 -11.260 -10.760 -8.140 1.00 11.22 H new ATOM 0 HD1 PHE A 102 -12.856 -7.725 -9.497 1.00 70.10 H new ATOM 0 HD2 PHE A 102 -9.241 -9.958 -9.192 1.00 62.23 H new ATOM 0 HE1 PHE A 102 -11.595 -5.792 -10.336 1.00 74.34 H new ATOM 0 HE2 PHE A 102 -7.982 -8.030 -10.047 1.00 52.21 H new ATOM 0 HZ PHE A 102 -9.156 -5.946 -10.625 1.00 11.24 H new ATOM 1518 N ARG A 103 -11.489 -11.557 -11.914 1.00 22.42 N ATOM 1519 CA ARG A 103 -10.608 -12.234 -12.876 1.00 24.31 C ATOM 1520 C ARG A 103 -10.640 -13.767 -12.714 1.00 23.41 C ATOM 1521 O ARG A 103 -9.649 -14.453 -12.979 1.00 10.31 O ATOM 1522 CB ARG A 103 -9.176 -11.700 -12.760 1.00 73.21 C ATOM 1523 CG ARG A 103 -9.079 -10.184 -12.870 1.00 63.33 C ATOM 1524 CD ARG A 103 -7.641 -9.727 -12.975 1.00 70.23 C ATOM 1525 NE ARG A 103 -7.066 -10.075 -14.282 1.00 22.34 N ATOM 1526 CZ ARG A 103 -5.968 -10.807 -14.485 1.00 1.03 C ATOM 1527 NH1 ARG A 103 -5.342 -11.382 -13.462 1.00 42.55 N ATOM 1528 NH2 ARG A 103 -5.518 -10.977 -15.720 1.00 41.11 N ATOM 0 H ARG A 103 -12.110 -10.878 -12.354 1.00 22.42 H new ATOM 0 HA ARG A 103 -10.984 -12.013 -13.875 1.00 24.31 H new ATOM 0 HB2 ARG A 103 -8.757 -12.014 -11.804 1.00 73.21 H new ATOM 0 HB3 ARG A 103 -8.564 -12.152 -13.541 1.00 73.21 H new ATOM 0 HG2 ARG A 103 -9.634 -9.845 -13.745 1.00 63.33 H new ATOM 0 HG3 ARG A 103 -9.545 -9.724 -11.999 1.00 63.33 H new ATOM 0 HD2 ARG A 103 -7.588 -8.648 -12.827 1.00 70.23 H new ATOM 0 HD3 ARG A 103 -7.052 -10.187 -12.182 1.00 70.23 H new ATOM 0 HE ARG A 103 -7.550 -9.726 -15.109 1.00 22.34 H new ATOM 0 HH11 ARG A 103 -5.700 -11.265 -12.514 1.00 42.55 H new ATOM 0 HH12 ARG A 103 -4.504 -11.940 -13.625 1.00 42.55 H new ATOM 0 HH21 ARG A 103 -6.010 -10.550 -16.505 1.00 41.11 H new ATOM 0 HH22 ARG A 103 -4.680 -11.534 -15.885 1.00 41.11 H new ATOM 1542 N GLY A 104 -11.800 -14.288 -12.324 1.00 32.30 N ATOM 1543 CA GLY A 104 -11.983 -15.725 -12.219 1.00 14.32 C ATOM 1544 C GLY A 104 -11.861 -16.287 -10.801 1.00 61.23 C ATOM 1545 O GLY A 104 -12.094 -17.476 -10.589 1.00 33.30 O ATOM 0 H GLY A 104 -12.622 -13.736 -12.077 1.00 32.30 H new ATOM 0 HA2 GLY A 104 -12.967 -15.981 -12.613 1.00 14.32 H new ATOM 0 HA3 GLY A 104 -11.247 -16.218 -12.854 1.00 14.32 H new ATOM 1549 N ARG A 105 -11.508 -15.462 -9.830 1.00 72.22 N ATOM 1550 CA ARG A 105 -11.376 -15.952 -8.456 1.00 42.10 C ATOM 1551 C ARG A 105 -12.356 -15.237 -7.533 1.00 15.32 C ATOM 1552 O ARG A 105 -12.528 -14.025 -7.630 1.00 72.51 O ATOM 1553 CB ARG A 105 -9.921 -15.841 -7.950 1.00 52.34 C ATOM 1554 CG ARG A 105 -9.355 -14.426 -7.873 1.00 44.20 C ATOM 1555 CD ARG A 105 -7.888 -14.441 -7.462 1.00 63.55 C ATOM 1556 NE ARG A 105 -7.052 -15.092 -8.475 1.00 23.41 N ATOM 1557 CZ ARG A 105 -5.872 -15.681 -8.255 1.00 22.23 C ATOM 1558 NH1 ARG A 105 -5.399 -15.825 -7.019 1.00 52.40 N ATOM 1559 NH2 ARG A 105 -5.175 -16.139 -9.279 1.00 63.04 N ATOM 0 H ARG A 105 -11.310 -14.469 -9.956 1.00 72.22 H new ATOM 0 HA ARG A 105 -11.629 -17.012 -8.450 1.00 42.10 H new ATOM 0 HB2 ARG A 105 -9.865 -16.290 -6.958 1.00 52.34 H new ATOM 0 HB3 ARG A 105 -9.282 -16.434 -8.604 1.00 52.34 H new ATOM 0 HG2 ARG A 105 -9.459 -13.937 -8.841 1.00 44.20 H new ATOM 0 HG3 ARG A 105 -9.930 -13.840 -7.156 1.00 44.20 H new ATOM 0 HD2 ARG A 105 -7.543 -13.419 -7.306 1.00 63.55 H new ATOM 0 HD3 ARG A 105 -7.781 -14.962 -6.511 1.00 63.55 H new ATOM 0 HE ARG A 105 -7.402 -15.096 -9.433 1.00 23.41 H new ATOM 0 HH11 ARG A 105 -5.939 -15.484 -6.223 1.00 52.40 H new ATOM 0 HH12 ARG A 105 -4.497 -16.277 -6.867 1.00 52.40 H new ATOM 0 HH21 ARG A 105 -5.538 -16.042 -10.227 1.00 63.04 H new ATOM 0 HH22 ARG A 105 -4.274 -16.590 -9.122 1.00 63.04 H new ATOM 1573 N THR A 106 -12.999 -15.982 -6.653 1.00 62.42 N ATOM 1574 CA THR A 106 -14.015 -15.416 -5.780 1.00 41.44 C ATOM 1575 C THR A 106 -13.374 -14.503 -4.742 1.00 64.22 C ATOM 1576 O THR A 106 -12.542 -14.935 -3.939 1.00 42.21 O ATOM 1577 CB THR A 106 -14.781 -16.536 -5.042 1.00 45.41 C ATOM 1578 OG1 THR A 106 -15.252 -17.513 -5.993 1.00 30.10 O ATOM 1579 CG2 THR A 106 -15.974 -15.966 -4.281 1.00 25.11 C ATOM 0 H THR A 106 -12.837 -16.981 -6.523 1.00 62.42 H new ATOM 0 HA THR A 106 -14.706 -14.845 -6.400 1.00 41.44 H new ATOM 0 HB THR A 106 -14.100 -17.005 -4.332 1.00 45.41 H new ATOM 0 HG1 THR A 106 -15.736 -18.222 -5.521 1.00 30.10 H new ATOM 0 HG21 THR A 106 -16.498 -16.773 -3.769 1.00 25.11 H new ATOM 0 HG22 THR A 106 -15.624 -15.238 -3.549 1.00 25.11 H new ATOM 0 HG23 THR A 106 -16.653 -15.479 -4.981 1.00 25.11 H new ATOM 1587 N ILE A 107 -13.747 -13.264 -4.767 1.00 2.10 N ATOM 1588 CA ILE A 107 -13.266 -12.317 -3.807 1.00 70.43 C ATOM 1589 C ILE A 107 -14.323 -12.038 -2.779 1.00 44.44 C ATOM 1590 O ILE A 107 -15.437 -12.532 -2.881 1.00 3.20 O ATOM 1591 CB ILE A 107 -12.830 -10.975 -4.462 1.00 23.14 C ATOM 1592 CG1 ILE A 107 -14.011 -10.303 -5.206 1.00 4.12 C ATOM 1593 CG2 ILE A 107 -11.653 -11.212 -5.405 1.00 61.43 C ATOM 1594 CD1 ILE A 107 -13.699 -8.914 -5.742 1.00 63.13 C ATOM 0 H ILE A 107 -14.395 -12.877 -5.454 1.00 2.10 H new ATOM 0 HA ILE A 107 -12.389 -12.764 -3.338 1.00 70.43 H new ATOM 0 HB ILE A 107 -12.513 -10.294 -3.672 1.00 23.14 H new ATOM 0 HG12 ILE A 107 -14.314 -10.941 -6.036 1.00 4.12 H new ATOM 0 HG13 ILE A 107 -14.862 -10.236 -4.528 1.00 4.12 H new ATOM 0 HG21 ILE A 107 -11.355 -10.267 -5.859 1.00 61.43 H new ATOM 0 HG22 ILE A 107 -10.815 -11.626 -4.844 1.00 61.43 H new ATOM 0 HG23 ILE A 107 -11.948 -11.913 -6.186 1.00 61.43 H new ATOM 0 HD11 ILE A 107 -14.577 -8.514 -6.249 1.00 63.13 H new ATOM 0 HD12 ILE A 107 -13.426 -8.258 -4.915 1.00 63.13 H new ATOM 0 HD13 ILE A 107 -12.869 -8.974 -6.446 1.00 63.13 H new ATOM 1606 N LYS A 108 -13.951 -11.306 -1.771 1.00 62.44 N ATOM 1607 CA LYS A 108 -14.881 -10.868 -0.752 1.00 13.04 C ATOM 1608 C LYS A 108 -14.844 -9.400 -0.647 1.00 54.03 C ATOM 1609 O LYS A 108 -13.772 -8.827 -0.536 1.00 71.41 O ATOM 1610 CB LYS A 108 -14.608 -11.452 0.642 1.00 44.24 C ATOM 1611 CG LYS A 108 -15.299 -12.737 1.000 1.00 75.42 C ATOM 1612 CD LYS A 108 -16.829 -12.682 0.831 1.00 61.42 C ATOM 1613 CE LYS A 108 -17.549 -11.775 1.825 1.00 4.20 C ATOM 1614 NZ LYS A 108 -19.031 -11.861 1.652 1.00 61.15 N ATOM 0 H LYS A 108 -12.992 -10.990 -1.625 1.00 62.44 H new ATOM 0 HA LYS A 108 -15.858 -11.231 -1.070 1.00 13.04 H new ATOM 0 HB2 LYS A 108 -13.534 -11.609 0.737 1.00 44.24 H new ATOM 0 HB3 LYS A 108 -14.887 -10.702 1.382 1.00 44.24 H new ATOM 0 HG2 LYS A 108 -14.902 -13.539 0.378 1.00 75.42 H new ATOM 0 HG3 LYS A 108 -15.065 -12.990 2.034 1.00 75.42 H new ATOM 0 HD2 LYS A 108 -17.057 -12.344 -0.180 1.00 61.42 H new ATOM 0 HD3 LYS A 108 -17.228 -13.692 0.927 1.00 61.42 H new ATOM 0 HE2 LYS A 108 -17.281 -12.059 2.843 1.00 4.20 H new ATOM 0 HE3 LYS A 108 -17.222 -10.745 1.685 1.00 4.20 H new ATOM 0 HZ1 LYS A 108 -19.498 -11.235 2.339 1.00 61.15 H new ATOM 0 HZ2 LYS A 108 -19.286 -11.567 0.687 1.00 61.15 H new ATOM 0 HZ3 LYS A 108 -19.343 -12.841 1.809 1.00 61.15 H new ATOM 1628 N VAL A 109 -15.991 -8.783 -0.691 1.00 44.13 N ATOM 1629 CA VAL A 109 -16.074 -7.366 -0.529 1.00 62.03 C ATOM 1630 C VAL A 109 -17.093 -7.060 0.554 1.00 32.02 C ATOM 1631 O VAL A 109 -18.226 -7.490 0.467 1.00 31.41 O ATOM 1632 CB VAL A 109 -16.465 -6.619 -1.847 1.00 52.13 C ATOM 1633 CG1 VAL A 109 -16.367 -5.110 -1.679 1.00 75.10 C ATOM 1634 CG2 VAL A 109 -15.649 -7.080 -3.036 1.00 4.52 C ATOM 0 H VAL A 109 -16.887 -9.248 -0.839 1.00 44.13 H new ATOM 0 HA VAL A 109 -15.083 -7.007 -0.251 1.00 62.03 H new ATOM 0 HB VAL A 109 -17.505 -6.875 -2.051 1.00 52.13 H new ATOM 0 HG11 VAL A 109 -16.645 -4.621 -2.613 1.00 75.10 H new ATOM 0 HG12 VAL A 109 -17.041 -4.788 -0.886 1.00 75.10 H new ATOM 0 HG13 VAL A 109 -15.344 -4.839 -1.418 1.00 75.10 H new ATOM 0 HG21 VAL A 109 -15.959 -6.531 -3.925 1.00 4.52 H new ATOM 0 HG22 VAL A 109 -14.592 -6.895 -2.846 1.00 4.52 H new ATOM 0 HG23 VAL A 109 -15.808 -8.147 -3.195 1.00 4.52 H new ATOM 1644 N LEU A 110 -16.692 -6.367 1.568 1.00 13.41 N ATOM 1645 CA LEU A 110 -17.603 -5.945 2.610 1.00 51.42 C ATOM 1646 C LEU A 110 -17.127 -4.607 3.112 1.00 13.20 C ATOM 1647 O LEU A 110 -15.956 -4.299 2.927 1.00 74.12 O ATOM 1648 CB LEU A 110 -17.875 -7.053 3.734 1.00 13.22 C ATOM 1649 CG LEU A 110 -16.787 -7.592 4.683 1.00 50.44 C ATOM 1650 CD1 LEU A 110 -15.428 -7.853 4.109 1.00 2.01 C ATOM 1651 CD2 LEU A 110 -16.810 -6.979 6.065 1.00 54.01 C ATOM 0 H LEU A 110 -15.726 -6.071 1.709 1.00 13.41 H new ATOM 0 HA LEU A 110 -18.606 -5.822 2.203 1.00 51.42 H new ATOM 0 HB2 LEU A 110 -18.666 -6.656 4.370 1.00 13.22 H new ATOM 0 HB3 LEU A 110 -18.286 -7.920 3.216 1.00 13.22 H new ATOM 0 HG LEU A 110 -17.116 -8.620 4.833 1.00 50.44 H new ATOM 0 HD11 LEU A 110 -14.768 -8.228 4.891 1.00 2.01 H new ATOM 0 HD12 LEU A 110 -15.505 -8.594 3.313 1.00 2.01 H new ATOM 0 HD13 LEU A 110 -15.020 -6.927 3.704 1.00 2.01 H new ATOM 0 HD21 LEU A 110 -16.013 -7.413 6.669 1.00 54.01 H new ATOM 0 HD22 LEU A 110 -16.661 -5.902 5.988 1.00 54.01 H new ATOM 0 HD23 LEU A 110 -17.772 -7.180 6.536 1.00 54.01 H new ATOM 1663 N PRO A 111 -17.986 -3.756 3.692 1.00 52.33 N ATOM 1664 CA PRO A 111 -17.567 -2.424 4.096 1.00 43.22 C ATOM 1665 C PRO A 111 -16.544 -2.517 5.231 1.00 62.13 C ATOM 1666 O PRO A 111 -16.662 -3.390 6.097 1.00 14.23 O ATOM 1667 CB PRO A 111 -18.874 -1.747 4.534 1.00 61.42 C ATOM 1668 CG PRO A 111 -19.759 -2.865 4.924 1.00 25.22 C ATOM 1669 CD PRO A 111 -19.394 -4.027 4.052 1.00 11.55 C ATOM 0 HA PRO A 111 -17.071 -1.859 3.307 1.00 43.22 H new ATOM 0 HB2 PRO A 111 -18.707 -1.064 5.367 1.00 61.42 H new ATOM 0 HB3 PRO A 111 -19.308 -1.161 3.724 1.00 61.42 H new ATOM 0 HG2 PRO A 111 -19.626 -3.114 5.977 1.00 25.22 H new ATOM 0 HG3 PRO A 111 -20.806 -2.594 4.790 1.00 25.22 H new ATOM 0 HD2 PRO A 111 -19.498 -4.974 4.581 1.00 11.55 H new ATOM 0 HD3 PRO A 111 -20.031 -4.083 3.169 1.00 11.55 H new ATOM 1677 N LYS A 112 -15.533 -1.659 5.198 1.00 54.31 N ATOM 1678 CA LYS A 112 -14.446 -1.711 6.176 1.00 54.12 C ATOM 1679 C LYS A 112 -14.975 -1.495 7.599 1.00 74.02 C ATOM 1680 O LYS A 112 -15.352 -0.381 7.981 1.00 12.02 O ATOM 1681 CB LYS A 112 -13.344 -0.689 5.843 1.00 1.54 C ATOM 1682 CG LYS A 112 -12.206 -0.643 6.868 1.00 51.51 C ATOM 1683 CD LYS A 112 -11.262 0.552 6.674 1.00 32.33 C ATOM 1684 CE LYS A 112 -10.390 0.480 5.428 1.00 75.01 C ATOM 1685 NZ LYS A 112 -9.560 1.717 5.278 1.00 42.33 N ATOM 0 H LYS A 112 -15.440 -0.916 4.505 1.00 54.31 H new ATOM 0 HA LYS A 112 -14.005 -2.707 6.125 1.00 54.12 H new ATOM 0 HB2 LYS A 112 -12.928 -0.925 4.864 1.00 1.54 H new ATOM 0 HB3 LYS A 112 -13.792 0.302 5.768 1.00 1.54 H new ATOM 0 HG2 LYS A 112 -12.631 -0.602 7.871 1.00 51.51 H new ATOM 0 HG3 LYS A 112 -11.630 -1.566 6.803 1.00 51.51 H new ATOM 0 HD2 LYS A 112 -11.857 1.464 6.632 1.00 32.33 H new ATOM 0 HD3 LYS A 112 -10.616 0.633 7.548 1.00 32.33 H new ATOM 0 HE2 LYS A 112 -9.740 -0.393 5.485 1.00 75.01 H new ATOM 0 HE3 LYS A 112 -11.019 0.352 4.547 1.00 75.01 H new ATOM 0 HZ1 LYS A 112 -8.573 1.452 5.083 1.00 42.33 H new ATOM 0 HZ2 LYS A 112 -9.927 2.288 4.490 1.00 42.33 H new ATOM 0 HZ3 LYS A 112 -9.602 2.272 6.157 1.00 42.33 H new ATOM 2166 N GLY B 21 -7.924 -6.743 9.051 1.00 64.41 N ATOM 2167 CA GLY B 21 -9.352 -6.748 8.730 1.00 3.52 C ATOM 2168 C GLY B 21 -10.013 -8.000 9.231 1.00 73.44 C ATOM 2169 O GLY B 21 -9.837 -8.356 10.403 1.00 11.34 O ATOM 0 HA2 GLY B 21 -9.831 -5.876 9.176 1.00 3.52 H new ATOM 0 HA3 GLY B 21 -9.486 -6.669 7.651 1.00 3.52 H new ATOM 2173 N PRO B 22 -10.795 -8.688 8.370 1.00 63.10 N ATOM 2174 CA PRO B 22 -11.463 -9.954 8.712 1.00 74.54 C ATOM 2175 C PRO B 22 -10.527 -11.047 9.330 1.00 74.55 C ATOM 2176 O PRO B 22 -10.933 -11.685 10.310 1.00 70.24 O ATOM 2177 CB PRO B 22 -12.080 -10.417 7.387 1.00 62.31 C ATOM 2178 CG PRO B 22 -12.272 -9.160 6.613 1.00 62.54 C ATOM 2179 CD PRO B 22 -11.126 -8.260 6.993 1.00 23.43 C ATOM 0 HA PRO B 22 -12.195 -9.796 9.504 1.00 74.54 H new ATOM 0 HB2 PRO B 22 -11.423 -11.111 6.863 1.00 62.31 H new ATOM 0 HB3 PRO B 22 -13.026 -10.934 7.548 1.00 62.31 H new ATOM 0 HG2 PRO B 22 -12.274 -9.358 5.541 1.00 62.54 H new ATOM 0 HG3 PRO B 22 -13.229 -8.696 6.853 1.00 62.54 H new ATOM 0 HD2 PRO B 22 -10.278 -8.383 6.319 1.00 23.43 H new ATOM 0 HD3 PRO B 22 -11.412 -7.209 6.957 1.00 23.43 H new ATOM 2187 N PRO B 23 -9.277 -11.313 8.773 1.00 73.41 N ATOM 2188 CA PRO B 23 -8.342 -12.284 9.382 1.00 73.34 C ATOM 2189 C PRO B 23 -8.063 -11.964 10.854 1.00 32.34 C ATOM 2190 O PRO B 23 -8.115 -10.792 11.274 1.00 60.11 O ATOM 2191 CB PRO B 23 -7.054 -12.117 8.557 1.00 12.24 C ATOM 2192 CG PRO B 23 -7.518 -11.609 7.243 1.00 42.43 C ATOM 2193 CD PRO B 23 -8.704 -10.736 7.532 1.00 43.44 C ATOM 0 HA PRO B 23 -8.745 -13.297 9.369 1.00 73.34 H new ATOM 0 HB2 PRO B 23 -6.366 -11.418 9.032 1.00 12.24 H new ATOM 0 HB3 PRO B 23 -6.524 -13.064 8.452 1.00 12.24 H new ATOM 0 HG2 PRO B 23 -6.731 -11.045 6.743 1.00 42.43 H new ATOM 0 HG3 PRO B 23 -7.791 -12.431 6.581 1.00 42.43 H new ATOM 0 HD2 PRO B 23 -8.410 -9.696 7.674 1.00 43.44 H new ATOM 0 HD3 PRO B 23 -9.423 -10.755 6.713 1.00 43.44 H new ATOM 2201 N GLN B 24 -7.782 -12.982 11.627 1.00 2.31 N ATOM 2202 CA GLN B 24 -7.504 -12.804 13.029 1.00 63.43 C ATOM 2203 C GLN B 24 -6.137 -12.182 13.232 1.00 22.52 C ATOM 2204 O GLN B 24 -5.174 -12.537 12.538 1.00 12.43 O ATOM 2205 CB GLN B 24 -7.649 -14.114 13.798 1.00 4.42 C ATOM 2206 CG GLN B 24 -9.068 -14.648 13.820 1.00 70.24 C ATOM 2207 CD GLN B 24 -10.039 -13.687 14.478 1.00 51.34 C ATOM 2208 OE1 GLN B 24 -10.644 -12.833 13.819 1.00 10.54 O ATOM 2209 NE2 GLN B 24 -10.186 -13.799 15.765 1.00 13.13 N ATOM 0 H GLN B 24 -7.740 -13.949 11.306 1.00 2.31 H new ATOM 0 HA GLN B 24 -8.245 -12.114 13.434 1.00 63.43 H new ATOM 0 HB2 GLN B 24 -6.994 -14.863 13.352 1.00 4.42 H new ATOM 0 HB3 GLN B 24 -7.310 -13.964 14.823 1.00 4.42 H new ATOM 0 HG2 GLN B 24 -9.394 -14.847 12.799 1.00 70.24 H new ATOM 0 HG3 GLN B 24 -9.087 -15.599 14.352 1.00 70.24 H new ATOM 0 HE21 GLN B 24 -9.671 -14.515 16.277 1.00 13.13 H new ATOM 0 HE22 GLN B 24 -10.817 -13.171 16.263 1.00 13.13 H new ATOM 2218 N PRO B 25 -6.033 -11.251 14.175 1.00 33.52 N ATOM 2219 CA PRO B 25 -4.804 -10.515 14.421 1.00 33.05 C ATOM 2220 C PRO B 25 -3.695 -11.368 15.032 1.00 65.35 C ATOM 2221 O PRO B 25 -3.940 -12.264 15.851 1.00 74.20 O ATOM 2222 CB PRO B 25 -5.228 -9.406 15.393 1.00 54.40 C ATOM 2223 CG PRO B 25 -6.438 -9.938 16.080 1.00 42.04 C ATOM 2224 CD PRO B 25 -7.120 -10.847 15.095 1.00 53.33 C ATOM 0 HA PRO B 25 -4.377 -10.146 13.488 1.00 33.05 H new ATOM 0 HB2 PRO B 25 -4.435 -9.182 16.107 1.00 54.40 H new ATOM 0 HB3 PRO B 25 -5.450 -8.480 14.863 1.00 54.40 H new ATOM 0 HG2 PRO B 25 -6.164 -10.481 16.984 1.00 42.04 H new ATOM 0 HG3 PRO B 25 -7.100 -9.127 16.383 1.00 42.04 H new ATOM 0 HD2 PRO B 25 -7.567 -11.710 15.590 1.00 53.33 H new ATOM 0 HD3 PRO B 25 -7.922 -10.333 14.565 1.00 53.33 H new ATOM 2232 N LEU B 26 -2.491 -11.118 14.576 1.00 51.13 N ATOM 2233 CA LEU B 26 -1.311 -11.735 15.133 1.00 4.04 C ATOM 2234 C LEU B 26 -0.732 -10.887 16.272 1.00 54.41 C ATOM 2235 O LEU B 26 -1.254 -9.801 16.564 1.00 71.32 O ATOM 2236 CB LEU B 26 -0.235 -12.127 14.050 1.00 3.24 C ATOM 2237 CG LEU B 26 0.184 -11.108 12.932 1.00 61.15 C ATOM 2238 CD1 LEU B 26 -0.880 -10.971 11.867 1.00 0.23 C ATOM 2239 CD2 LEU B 26 0.490 -9.747 13.493 1.00 71.03 C ATOM 0 H LEU B 26 -2.301 -10.478 13.805 1.00 51.13 H new ATOM 0 HA LEU B 26 -1.626 -12.686 15.562 1.00 4.04 H new ATOM 0 HB2 LEU B 26 0.672 -12.407 14.586 1.00 3.24 H new ATOM 0 HB3 LEU B 26 -0.598 -13.024 13.547 1.00 3.24 H new ATOM 0 HG LEU B 26 1.089 -11.517 12.483 1.00 61.15 H new ATOM 0 HD11 LEU B 26 -0.550 -10.257 11.113 1.00 0.23 H new ATOM 0 HD12 LEU B 26 -1.052 -11.940 11.398 1.00 0.23 H new ATOM 0 HD13 LEU B 26 -1.806 -10.618 12.321 1.00 0.23 H new ATOM 0 HD21 LEU B 26 0.775 -9.075 12.683 1.00 71.03 H new ATOM 0 HD22 LEU B 26 -0.393 -9.354 13.996 1.00 71.03 H new ATOM 0 HD23 LEU B 26 1.310 -9.824 14.207 1.00 71.03 H new ATOM 2251 N SER B 27 0.333 -11.368 16.899 1.00 24.40 N ATOM 2252 CA SER B 27 0.919 -10.703 18.053 1.00 22.13 C ATOM 2253 C SER B 27 1.389 -9.274 17.739 1.00 44.32 C ATOM 2254 O SER B 27 1.848 -8.978 16.627 1.00 33.11 O ATOM 2255 CB SER B 27 2.117 -11.529 18.570 1.00 51.34 C ATOM 2256 OG SER B 27 2.737 -10.895 19.691 1.00 31.14 O ATOM 0 H SER B 27 0.812 -12.225 16.623 1.00 24.40 H new ATOM 0 HA SER B 27 0.141 -10.632 18.813 1.00 22.13 H new ATOM 0 HB2 SER B 27 1.779 -12.526 18.854 1.00 51.34 H new ATOM 0 HB3 SER B 27 2.847 -11.655 17.771 1.00 51.34 H new ATOM 0 HG SER B 27 3.491 -11.440 19.999 1.00 31.14 H new ATOM 2262 N ALA B 28 1.236 -8.399 18.734 1.00 3.34 N ATOM 2263 CA ALA B 28 1.784 -7.038 18.686 1.00 42.15 C ATOM 2264 C ALA B 28 3.259 -7.058 18.344 1.00 53.14 C ATOM 2265 O ALA B 28 3.755 -6.207 17.609 1.00 3.22 O ATOM 2266 CB ALA B 28 1.567 -6.288 19.992 1.00 64.23 C ATOM 0 H ALA B 28 0.731 -8.611 19.594 1.00 3.34 H new ATOM 0 HA ALA B 28 1.243 -6.510 17.901 1.00 42.15 H new ATOM 0 HB1 ALA B 28 1.988 -5.286 19.911 1.00 64.23 H new ATOM 0 HB2 ALA B 28 0.499 -6.217 20.198 1.00 64.23 H new ATOM 0 HB3 ALA B 28 2.058 -6.823 20.805 1.00 64.23 H new ATOM 2272 N GLU B 29 3.957 -8.044 18.873 1.00 22.34 N ATOM 2273 CA GLU B 29 5.352 -8.204 18.595 1.00 50.34 C ATOM 2274 C GLU B 29 5.620 -8.786 17.234 1.00 4.51 C ATOM 2275 O GLU B 29 6.671 -8.527 16.658 1.00 0.32 O ATOM 2276 CB GLU B 29 6.112 -8.902 19.680 1.00 1.44 C ATOM 2277 CG GLU B 29 6.149 -8.117 20.964 1.00 10.02 C ATOM 2278 CD GLU B 29 7.077 -8.744 21.963 1.00 35.24 C ATOM 2279 OE1 GLU B 29 6.736 -9.812 22.515 1.00 1.10 O ATOM 2280 OE2 GLU B 29 8.187 -8.203 22.174 1.00 70.14 O ATOM 0 H GLU B 29 3.567 -8.746 19.502 1.00 22.34 H new ATOM 0 HA GLU B 29 5.748 -7.189 18.576 1.00 50.34 H new ATOM 0 HB2 GLU B 29 5.658 -9.875 19.867 1.00 1.44 H new ATOM 0 HB3 GLU B 29 7.132 -9.086 19.342 1.00 1.44 H new ATOM 0 HG2 GLU B 29 6.469 -7.096 20.759 1.00 10.02 H new ATOM 0 HG3 GLU B 29 5.145 -8.058 21.385 1.00 10.02 H new ATOM 2287 N GLU B 30 4.691 -9.592 16.709 1.00 4.10 N ATOM 2288 CA GLU B 30 4.859 -10.103 15.356 1.00 21.11 C ATOM 2289 C GLU B 30 4.812 -8.906 14.444 1.00 35.05 C ATOM 2290 O GLU B 30 5.597 -8.781 13.517 1.00 73.51 O ATOM 2291 CB GLU B 30 3.726 -11.043 14.937 1.00 42.54 C ATOM 2292 CG GLU B 30 4.049 -11.875 13.716 1.00 14.31 C ATOM 2293 CD GLU B 30 5.147 -12.880 13.996 1.00 31.23 C ATOM 2294 OE1 GLU B 30 6.249 -12.492 14.378 1.00 13.33 O ATOM 2295 OE2 GLU B 30 4.887 -14.077 13.913 1.00 0.41 O ATOM 0 H GLU B 30 3.842 -9.894 17.187 1.00 4.10 H new ATOM 0 HA GLU B 30 5.793 -10.663 15.304 1.00 21.11 H new ATOM 0 HB2 GLU B 30 3.491 -11.708 15.768 1.00 42.54 H new ATOM 0 HB3 GLU B 30 2.831 -10.453 14.738 1.00 42.54 H new ATOM 0 HG2 GLU B 30 3.152 -12.399 13.385 1.00 14.31 H new ATOM 0 HG3 GLU B 30 4.355 -11.220 12.900 1.00 14.31 H new ATOM 2302 N LYS B 31 3.905 -7.979 14.791 1.00 33.21 N ATOM 2303 CA LYS B 31 3.732 -6.758 14.058 1.00 21.43 C ATOM 2304 C LYS B 31 4.984 -5.942 14.181 1.00 62.24 C ATOM 2305 O LYS B 31 5.467 -5.406 13.213 1.00 34.11 O ATOM 2306 CB LYS B 31 2.532 -5.951 14.585 1.00 72.42 C ATOM 2307 CG LYS B 31 1.186 -6.589 14.330 1.00 14.11 C ATOM 2308 CD LYS B 31 0.058 -5.797 14.966 1.00 60.05 C ATOM 2309 CE LYS B 31 -1.304 -6.389 14.620 1.00 32.32 C ATOM 2310 NZ LYS B 31 -1.583 -6.319 13.173 1.00 73.44 N ATOM 0 H LYS B 31 3.280 -8.074 15.592 1.00 33.21 H new ATOM 0 HA LYS B 31 3.536 -7.001 13.014 1.00 21.43 H new ATOM 0 HB2 LYS B 31 2.653 -5.804 15.658 1.00 72.42 H new ATOM 0 HB3 LYS B 31 2.545 -4.963 14.125 1.00 72.42 H new ATOM 0 HG2 LYS B 31 1.017 -6.664 13.256 1.00 14.11 H new ATOM 0 HG3 LYS B 31 1.185 -7.605 14.725 1.00 14.11 H new ATOM 0 HD2 LYS B 31 0.186 -5.784 16.048 1.00 60.05 H new ATOM 0 HD3 LYS B 31 0.103 -4.762 14.627 1.00 60.05 H new ATOM 0 HE2 LYS B 31 -1.342 -7.428 14.947 1.00 32.32 H new ATOM 0 HE3 LYS B 31 -2.081 -5.854 15.166 1.00 32.32 H new ATOM 0 HZ1 LYS B 31 -2.598 -6.472 13.007 1.00 73.44 H new ATOM 0 HZ2 LYS B 31 -1.311 -5.383 12.812 1.00 73.44 H new ATOM 0 HZ3 LYS B 31 -1.037 -7.053 12.678 1.00 73.44 H new ATOM 2324 N LYS B 32 5.512 -5.870 15.398 1.00 71.33 N ATOM 2325 CA LYS B 32 6.698 -5.162 15.695 1.00 61.51 C ATOM 2326 C LYS B 32 7.876 -5.654 14.856 1.00 13.21 C ATOM 2327 O LYS B 32 8.572 -4.850 14.271 1.00 12.53 O ATOM 2328 CB LYS B 32 7.017 -5.385 17.164 1.00 44.45 C ATOM 2329 CG LYS B 32 7.992 -4.422 17.767 1.00 3.42 C ATOM 2330 CD LYS B 32 7.307 -3.170 18.294 1.00 71.24 C ATOM 2331 CE LYS B 32 6.551 -2.383 17.249 1.00 33.31 C ATOM 2332 NZ LYS B 32 7.423 -1.906 16.121 1.00 11.42 N ATOM 0 H LYS B 32 5.096 -6.324 16.211 1.00 71.33 H new ATOM 0 HA LYS B 32 6.544 -4.107 15.470 1.00 61.51 H new ATOM 0 HB2 LYS B 32 6.087 -5.336 17.731 1.00 44.45 H new ATOM 0 HB3 LYS B 32 7.410 -6.395 17.283 1.00 44.45 H new ATOM 0 HG2 LYS B 32 8.528 -4.911 18.580 1.00 3.42 H new ATOM 0 HG3 LYS B 32 8.734 -4.142 17.019 1.00 3.42 H new ATOM 0 HD2 LYS B 32 6.615 -3.456 19.086 1.00 71.24 H new ATOM 0 HD3 LYS B 32 8.059 -2.522 18.745 1.00 71.24 H new ATOM 0 HE2 LYS B 32 5.751 -3.003 16.844 1.00 33.31 H new ATOM 0 HE3 LYS B 32 6.078 -1.523 17.723 1.00 33.31 H new ATOM 0 HZ1 LYS B 32 6.834 -1.447 15.397 1.00 11.42 H new ATOM 0 HZ2 LYS B 32 8.119 -1.224 16.485 1.00 11.42 H new ATOM 0 HZ3 LYS B 32 7.921 -2.717 15.700 1.00 11.42 H new ATOM 2346 N GLU B 33 8.067 -6.971 14.782 1.00 13.22 N ATOM 2347 CA GLU B 33 9.197 -7.531 14.047 1.00 41.31 C ATOM 2348 C GLU B 33 9.051 -7.310 12.565 1.00 55.13 C ATOM 2349 O GLU B 33 9.988 -6.893 11.914 1.00 21.33 O ATOM 2350 CB GLU B 33 9.409 -9.018 14.337 1.00 33.45 C ATOM 2351 CG GLU B 33 9.864 -9.335 15.751 1.00 40.22 C ATOM 2352 CD GLU B 33 11.185 -8.674 16.111 1.00 32.44 C ATOM 2353 OE1 GLU B 33 12.152 -8.786 15.348 1.00 35.11 O ATOM 2354 OE2 GLU B 33 11.269 -8.027 17.162 1.00 72.12 O ATOM 0 H GLU B 33 7.459 -7.664 15.219 1.00 13.22 H new ATOM 0 HA GLU B 33 10.081 -6.998 14.398 1.00 41.31 H new ATOM 0 HB2 GLU B 33 8.476 -9.548 14.144 1.00 33.45 H new ATOM 0 HB3 GLU B 33 10.148 -9.408 13.637 1.00 33.45 H new ATOM 0 HG2 GLU B 33 9.098 -9.010 16.455 1.00 40.22 H new ATOM 0 HG3 GLU B 33 9.962 -10.415 15.862 1.00 40.22 H new ATOM 2361 N ILE B 34 7.865 -7.550 12.053 1.00 25.22 N ATOM 2362 CA ILE B 34 7.623 -7.387 10.635 1.00 1.32 C ATOM 2363 C ILE B 34 7.740 -5.917 10.240 1.00 70.03 C ATOM 2364 O ILE B 34 8.273 -5.599 9.189 1.00 53.05 O ATOM 2365 CB ILE B 34 6.298 -8.058 10.131 1.00 12.13 C ATOM 2366 CG1 ILE B 34 5.058 -7.494 10.852 1.00 72.12 C ATOM 2367 CG2 ILE B 34 6.387 -9.578 10.282 1.00 31.41 C ATOM 2368 CD1 ILE B 34 3.753 -8.227 10.553 1.00 43.10 C ATOM 0 H ILE B 34 7.056 -7.857 12.593 1.00 25.22 H new ATOM 0 HA ILE B 34 8.406 -7.938 10.114 1.00 1.32 H new ATOM 0 HB ILE B 34 6.181 -7.820 9.074 1.00 12.13 H new ATOM 0 HG12 ILE B 34 5.236 -7.523 11.927 1.00 72.12 H new ATOM 0 HG13 ILE B 34 4.941 -6.446 10.576 1.00 72.12 H new ATOM 0 HG21 ILE B 34 5.462 -10.033 9.929 1.00 31.41 H new ATOM 0 HG22 ILE B 34 7.224 -9.954 9.693 1.00 31.41 H new ATOM 0 HG23 ILE B 34 6.539 -9.831 11.331 1.00 31.41 H new ATOM 0 HD11 ILE B 34 2.938 -7.759 11.105 1.00 43.10 H new ATOM 0 HD12 ILE B 34 3.544 -8.176 9.484 1.00 43.10 H new ATOM 0 HD13 ILE B 34 3.844 -9.270 10.856 1.00 43.10 H new ATOM 2380 N ASP B 35 7.318 -5.030 11.147 1.00 41.30 N ATOM 2381 CA ASP B 35 7.376 -3.571 10.946 1.00 53.52 C ATOM 2382 C ASP B 35 8.831 -3.114 10.870 1.00 2.45 C ATOM 2383 O ASP B 35 9.202 -2.321 10.005 1.00 75.40 O ATOM 2384 CB ASP B 35 6.682 -2.859 12.114 1.00 12.13 C ATOM 2385 CG ASP B 35 6.667 -1.356 11.985 1.00 24.12 C ATOM 2386 OD1 ASP B 35 7.654 -0.706 12.352 1.00 40.40 O ATOM 2387 OD2 ASP B 35 5.649 -0.818 11.545 1.00 35.44 O ATOM 0 H ASP B 35 6.924 -5.302 12.048 1.00 41.30 H new ATOM 0 HA ASP B 35 6.869 -3.322 10.014 1.00 53.52 H new ATOM 0 HB2 ASP B 35 5.656 -3.219 12.189 1.00 12.13 H new ATOM 0 HB3 ASP B 35 7.184 -3.130 13.043 1.00 12.13 H new ATOM 2392 N LYS B 36 9.663 -3.678 11.758 1.00 41.44 N ATOM 2393 CA LYS B 36 11.099 -3.355 11.824 1.00 50.01 C ATOM 2394 C LYS B 36 11.789 -3.708 10.524 1.00 63.32 C ATOM 2395 O LYS B 36 12.826 -3.152 10.178 1.00 32.20 O ATOM 2396 CB LYS B 36 11.803 -4.141 12.937 1.00 1.24 C ATOM 2397 CG LYS B 36 11.373 -3.846 14.350 1.00 21.43 C ATOM 2398 CD LYS B 36 12.072 -4.802 15.296 1.00 21.11 C ATOM 2399 CE LYS B 36 11.647 -4.610 16.717 1.00 63.22 C ATOM 2400 NZ LYS B 36 12.293 -5.599 17.614 1.00 70.51 N ATOM 0 H LYS B 36 9.363 -4.367 12.448 1.00 41.44 H new ATOM 0 HA LYS B 36 11.165 -2.285 12.021 1.00 50.01 H new ATOM 0 HB2 LYS B 36 11.652 -5.204 12.750 1.00 1.24 H new ATOM 0 HB3 LYS B 36 12.874 -3.953 12.861 1.00 1.24 H new ATOM 0 HG2 LYS B 36 11.618 -2.816 14.609 1.00 21.43 H new ATOM 0 HG3 LYS B 36 10.292 -3.950 14.443 1.00 21.43 H new ATOM 0 HD2 LYS B 36 11.862 -5.828 14.992 1.00 21.11 H new ATOM 0 HD3 LYS B 36 13.150 -4.661 15.220 1.00 21.11 H new ATOM 0 HE2 LYS B 36 11.902 -3.601 17.041 1.00 63.22 H new ATOM 0 HE3 LYS B 36 10.563 -4.704 16.790 1.00 63.22 H new ATOM 0 HZ1 LYS B 36 12.461 -5.166 18.545 1.00 70.51 H new ATOM 0 HZ2 LYS B 36 11.672 -6.426 17.724 1.00 70.51 H new ATOM 0 HZ3 LYS B 36 13.200 -5.899 17.204 1.00 70.51 H new ATOM 2414 N ARG B 37 11.208 -4.622 9.813 1.00 41.24 N ATOM 2415 CA ARG B 37 11.795 -5.152 8.622 1.00 5.55 C ATOM 2416 C ARG B 37 11.061 -4.627 7.399 1.00 53.45 C ATOM 2417 O ARG B 37 11.191 -5.159 6.314 1.00 31.43 O ATOM 2418 CB ARG B 37 11.714 -6.664 8.699 1.00 31.54 C ATOM 2419 CG ARG B 37 12.282 -7.185 9.998 1.00 31.34 C ATOM 2420 CD ARG B 37 12.077 -8.659 10.178 1.00 71.33 C ATOM 2421 NE ARG B 37 12.392 -9.051 11.546 1.00 30.51 N ATOM 2422 CZ ARG B 37 12.735 -10.267 11.961 1.00 4.12 C ATOM 2423 NH1 ARG B 37 12.952 -11.241 11.087 1.00 31.53 N ATOM 2424 NH2 ARG B 37 12.879 -10.502 13.267 1.00 5.41 N ATOM 0 H ARG B 37 10.301 -5.027 10.046 1.00 41.24 H new ATOM 0 HA ARG B 37 12.837 -4.843 8.535 1.00 5.55 H new ATOM 0 HB2 ARG B 37 10.675 -6.979 8.603 1.00 31.54 H new ATOM 0 HB3 ARG B 37 12.258 -7.101 7.862 1.00 31.54 H new ATOM 0 HG2 ARG B 37 13.349 -6.965 10.036 1.00 31.34 H new ATOM 0 HG3 ARG B 37 11.818 -6.655 10.830 1.00 31.34 H new ATOM 0 HD2 ARG B 37 11.044 -8.920 9.946 1.00 71.33 H new ATOM 0 HD3 ARG B 37 12.709 -9.209 9.480 1.00 71.33 H new ATOM 0 HE ARG B 37 12.345 -8.320 12.256 1.00 30.51 H new ATOM 0 HH11 ARG B 37 12.856 -11.060 10.088 1.00 31.53 H new ATOM 0 HH12 ARG B 37 13.215 -12.171 11.414 1.00 31.53 H new ATOM 0 HH21 ARG B 37 12.726 -9.751 13.940 1.00 5.41 H new ATOM 0 HH22 ARG B 37 13.142 -11.432 13.592 1.00 5.41 H new ATOM 2438 N SER B 38 10.309 -3.578 7.579 1.00 55.13 N ATOM 2439 CA SER B 38 9.598 -2.983 6.486 1.00 52.42 C ATOM 2440 C SER B 38 10.231 -1.657 6.043 1.00 40.41 C ATOM 2441 O SER B 38 11.089 -1.091 6.738 1.00 42.22 O ATOM 2442 CB SER B 38 8.181 -2.743 6.894 1.00 35.02 C ATOM 2443 OG SER B 38 7.566 -3.910 7.341 1.00 45.11 O ATOM 0 H SER B 38 10.173 -3.116 8.478 1.00 55.13 H new ATOM 0 HA SER B 38 9.643 -3.671 5.642 1.00 52.42 H new ATOM 0 HB2 SER B 38 8.152 -1.992 7.683 1.00 35.02 H new ATOM 0 HB3 SER B 38 7.623 -2.339 6.049 1.00 35.02 H new ATOM 0 HG SER B 38 7.926 -4.153 8.220 1.00 45.11 H new ATOM 2449 N VAL B 39 9.775 -1.163 4.907 1.00 12.13 N ATOM 2450 CA VAL B 39 10.229 0.086 4.321 1.00 72.32 C ATOM 2451 C VAL B 39 9.056 0.846 3.734 1.00 1.31 C ATOM 2452 O VAL B 39 7.978 0.286 3.536 1.00 62.41 O ATOM 2453 CB VAL B 39 11.282 -0.109 3.182 1.00 1.04 C ATOM 2454 CG1 VAL B 39 12.559 -0.714 3.709 1.00 64.54 C ATOM 2455 CG2 VAL B 39 10.727 -0.944 2.044 1.00 74.23 C ATOM 0 H VAL B 39 9.060 -1.631 4.351 1.00 12.13 H new ATOM 0 HA VAL B 39 10.700 0.638 5.134 1.00 72.32 H new ATOM 0 HB VAL B 39 11.513 0.881 2.790 1.00 1.04 H new ATOM 0 HG11 VAL B 39 13.269 -0.836 2.891 1.00 64.54 H new ATOM 0 HG12 VAL B 39 12.987 -0.057 4.466 1.00 64.54 H new ATOM 0 HG13 VAL B 39 12.345 -1.687 4.151 1.00 64.54 H new ATOM 0 HG21 VAL B 39 11.488 -1.058 1.272 1.00 74.23 H new ATOM 0 HG22 VAL B 39 10.441 -1.927 2.419 1.00 74.23 H new ATOM 0 HG23 VAL B 39 9.853 -0.449 1.622 1.00 74.23 H new ATOM 2465 N TYR B 40 9.280 2.093 3.464 1.00 13.22 N ATOM 2466 CA TYR B 40 8.338 2.951 2.795 1.00 31.30 C ATOM 2467 C TYR B 40 8.874 3.236 1.431 1.00 53.05 C ATOM 2468 O TYR B 40 10.019 3.608 1.299 1.00 43.24 O ATOM 2469 CB TYR B 40 8.144 4.279 3.544 1.00 23.53 C ATOM 2470 CG TYR B 40 7.475 5.372 2.700 1.00 22.22 C ATOM 2471 CD1 TYR B 40 6.103 5.481 2.593 1.00 75.04 C ATOM 2472 CD2 TYR B 40 8.253 6.292 2.005 1.00 71.23 C ATOM 2473 CE1 TYR B 40 5.536 6.474 1.823 1.00 23.41 C ATOM 2474 CE2 TYR B 40 7.705 7.278 1.245 1.00 65.31 C ATOM 2475 CZ TYR B 40 6.346 7.373 1.150 1.00 35.22 C ATOM 2476 OH TYR B 40 5.775 8.385 0.393 1.00 34.05 O ATOM 0 H TYR B 40 10.151 2.563 3.709 1.00 13.22 H new ATOM 0 HA TYR B 40 7.370 2.451 2.753 1.00 31.30 H new ATOM 0 HB2 TYR B 40 7.541 4.099 4.434 1.00 23.53 H new ATOM 0 HB3 TYR B 40 9.115 4.639 3.885 1.00 23.53 H new ATOM 0 HD1 TYR B 40 5.468 4.782 3.117 1.00 75.04 H new ATOM 0 HD2 TYR B 40 9.329 6.221 2.071 1.00 71.23 H new ATOM 0 HE1 TYR B 40 4.462 6.551 1.745 1.00 23.41 H new ATOM 0 HE2 TYR B 40 8.338 7.979 0.722 1.00 65.31 H new ATOM 0 HH TYR B 40 6.482 8.929 -0.013 1.00 34.05 H new ATOM 2486 N VAL B 41 8.073 3.038 0.443 1.00 12.14 N ATOM 2487 CA VAL B 41 8.414 3.323 -0.916 1.00 43.01 C ATOM 2488 C VAL B 41 7.397 4.310 -1.471 1.00 14.23 C ATOM 2489 O VAL B 41 6.241 3.981 -1.624 1.00 33.25 O ATOM 2490 CB VAL B 41 8.361 2.031 -1.742 1.00 13.32 C ATOM 2491 CG1 VAL B 41 8.677 2.276 -3.215 1.00 73.11 C ATOM 2492 CG2 VAL B 41 9.290 0.991 -1.154 1.00 70.00 C ATOM 0 H VAL B 41 7.132 2.662 0.557 1.00 12.14 H new ATOM 0 HA VAL B 41 9.419 3.742 -0.967 1.00 43.01 H new ATOM 0 HB VAL B 41 7.339 1.654 -1.696 1.00 13.32 H new ATOM 0 HG11 VAL B 41 8.627 1.333 -3.759 1.00 73.11 H new ATOM 0 HG12 VAL B 41 7.951 2.974 -3.632 1.00 73.11 H new ATOM 0 HG13 VAL B 41 9.679 2.696 -3.307 1.00 73.11 H new ATOM 0 HG21 VAL B 41 9.241 0.080 -1.751 1.00 70.00 H new ATOM 0 HG22 VAL B 41 10.311 1.372 -1.157 1.00 70.00 H new ATOM 0 HG23 VAL B 41 8.988 0.770 -0.130 1.00 70.00 H new ATOM 2502 N GLY B 42 7.813 5.500 -1.741 1.00 44.51 N ATOM 2503 CA GLY B 42 6.893 6.491 -2.210 1.00 64.12 C ATOM 2504 C GLY B 42 7.045 6.808 -3.670 1.00 51.22 C ATOM 2505 O GLY B 42 8.000 6.381 -4.308 1.00 43.44 O ATOM 0 H GLY B 42 8.779 5.814 -1.647 1.00 44.51 H new ATOM 0 HA2 GLY B 42 5.875 6.147 -2.025 1.00 64.12 H new ATOM 0 HA3 GLY B 42 7.030 7.405 -1.632 1.00 64.12 H new ATOM 2509 N ASN B 43 6.092 7.581 -4.164 1.00 43.35 N ATOM 2510 CA ASN B 43 6.003 8.073 -5.551 1.00 73.25 C ATOM 2511 C ASN B 43 5.774 6.936 -6.576 1.00 72.11 C ATOM 2512 O ASN B 43 6.055 7.087 -7.765 1.00 72.12 O ATOM 2513 CB ASN B 43 7.224 8.953 -5.915 1.00 45.24 C ATOM 2514 CG ASN B 43 6.974 9.824 -7.149 1.00 5.33 C ATOM 2515 OD1 ASN B 43 5.834 10.194 -7.434 1.00 60.43 O ATOM 2516 ND2 ASN B 43 8.011 10.193 -7.849 1.00 12.23 N ATOM 0 H ASN B 43 5.315 7.905 -3.589 1.00 43.35 H new ATOM 0 HA ASN B 43 5.117 8.705 -5.606 1.00 73.25 H new ATOM 0 HB2 ASN B 43 7.472 9.592 -5.068 1.00 45.24 H new ATOM 0 HB3 ASN B 43 8.088 8.313 -6.095 1.00 45.24 H new ATOM 0 HD21 ASN B 43 7.890 10.804 -8.657 1.00 12.23 H new ATOM 0 HD22 ASN B 43 8.943 9.870 -7.589 1.00 12.23 H new ATOM 2523 N VAL B 44 5.217 5.818 -6.115 1.00 32.41 N ATOM 2524 CA VAL B 44 4.862 4.731 -7.024 1.00 63.34 C ATOM 2525 C VAL B 44 3.745 5.210 -7.955 1.00 72.43 C ATOM 2526 O VAL B 44 2.770 5.840 -7.524 1.00 50.51 O ATOM 2527 CB VAL B 44 4.489 3.391 -6.283 1.00 60.42 C ATOM 2528 CG1 VAL B 44 3.263 3.520 -5.409 1.00 22.44 C ATOM 2529 CG2 VAL B 44 4.328 2.251 -7.264 1.00 13.33 C ATOM 0 H VAL B 44 5.004 5.642 -5.133 1.00 32.41 H new ATOM 0 HA VAL B 44 5.743 4.479 -7.614 1.00 63.34 H new ATOM 0 HB VAL B 44 5.325 3.168 -5.620 1.00 60.42 H new ATOM 0 HG11 VAL B 44 3.058 2.564 -4.926 1.00 22.44 H new ATOM 0 HG12 VAL B 44 3.437 4.281 -4.648 1.00 22.44 H new ATOM 0 HG13 VAL B 44 2.408 3.808 -6.021 1.00 22.44 H new ATOM 0 HG21 VAL B 44 4.071 1.340 -6.724 1.00 13.33 H new ATOM 0 HG22 VAL B 44 3.534 2.490 -7.972 1.00 13.33 H new ATOM 0 HG23 VAL B 44 5.263 2.101 -7.804 1.00 13.33 H new ATOM 2539 N ASP B 45 3.938 4.985 -9.215 1.00 24.41 N ATOM 2540 CA ASP B 45 3.028 5.457 -10.229 1.00 42.40 C ATOM 2541 C ASP B 45 2.095 4.356 -10.690 1.00 3.14 C ATOM 2542 O ASP B 45 2.370 3.163 -10.492 1.00 35.35 O ATOM 2543 CB ASP B 45 3.838 6.057 -11.406 1.00 31.42 C ATOM 2544 CG ASP B 45 3.008 6.478 -12.608 1.00 63.35 C ATOM 2545 OD1 ASP B 45 2.003 7.181 -12.445 1.00 0.23 O ATOM 2546 OD2 ASP B 45 3.371 6.113 -13.742 1.00 14.24 O ATOM 0 H ASP B 45 4.736 4.465 -9.580 1.00 24.41 H new ATOM 0 HA ASP B 45 2.397 6.239 -9.806 1.00 42.40 H new ATOM 0 HB2 ASP B 45 4.390 6.924 -11.043 1.00 31.42 H new ATOM 0 HB3 ASP B 45 4.575 5.323 -11.731 1.00 31.42 H new ATOM 2551 N TYR B 46 1.003 4.760 -11.311 1.00 4.22 N ATOM 2552 CA TYR B 46 0.024 3.843 -11.833 1.00 2.31 C ATOM 2553 C TYR B 46 0.579 3.139 -13.044 1.00 11.55 C ATOM 2554 O TYR B 46 0.515 3.643 -14.177 1.00 15.34 O ATOM 2555 CB TYR B 46 -1.314 4.525 -12.135 1.00 31.25 C ATOM 2556 CG TYR B 46 -2.154 4.819 -10.913 1.00 71.01 C ATOM 2557 CD1 TYR B 46 -1.750 5.729 -9.950 1.00 25.33 C ATOM 2558 CD2 TYR B 46 -3.374 4.182 -10.739 1.00 41.34 C ATOM 2559 CE1 TYR B 46 -2.540 5.990 -8.852 1.00 32.31 C ATOM 2560 CE2 TYR B 46 -4.167 4.438 -9.646 1.00 44.22 C ATOM 2561 CZ TYR B 46 -3.752 5.338 -8.708 1.00 25.42 C ATOM 2562 OH TYR B 46 -4.556 5.608 -7.625 1.00 25.11 O ATOM 0 H TYR B 46 0.774 5.742 -11.465 1.00 4.22 H new ATOM 0 HA TYR B 46 -0.187 3.101 -11.063 1.00 2.31 H new ATOM 0 HB2 TYR B 46 -1.121 5.460 -12.662 1.00 31.25 H new ATOM 0 HB3 TYR B 46 -1.887 3.890 -12.811 1.00 31.25 H new ATOM 0 HD1 TYR B 46 -0.805 6.240 -10.061 1.00 25.33 H new ATOM 0 HD2 TYR B 46 -3.708 3.469 -11.479 1.00 41.34 H new ATOM 0 HE1 TYR B 46 -2.215 6.701 -8.107 1.00 32.31 H new ATOM 0 HE2 TYR B 46 -5.113 3.930 -9.530 1.00 44.22 H new ATOM 0 HH TYR B 46 -5.370 5.065 -7.678 1.00 25.11 H new ATOM 2572 N GLY B 47 1.171 2.011 -12.784 1.00 34.50 N ATOM 2573 CA GLY B 47 1.807 1.230 -13.784 1.00 50.00 C ATOM 2574 C GLY B 47 2.700 0.206 -13.146 1.00 2.11 C ATOM 2575 O GLY B 47 3.033 -0.808 -13.764 1.00 60.04 O ATOM 0 H GLY B 47 1.222 1.606 -11.849 1.00 34.50 H new ATOM 0 HA2 GLY B 47 1.058 0.736 -14.402 1.00 50.00 H new ATOM 0 HA3 GLY B 47 2.390 1.873 -14.443 1.00 50.00 H new ATOM 2579 N SER B 48 3.123 0.476 -11.917 1.00 51.01 N ATOM 2580 CA SER B 48 3.877 -0.485 -11.180 1.00 32.53 C ATOM 2581 C SER B 48 2.933 -1.515 -10.599 1.00 1.22 C ATOM 2582 O SER B 48 1.927 -1.163 -9.967 1.00 25.22 O ATOM 2583 CB SER B 48 4.636 0.206 -10.061 1.00 12.12 C ATOM 2584 OG SER B 48 5.468 1.218 -10.579 1.00 70.12 O ATOM 0 H SER B 48 2.949 1.353 -11.426 1.00 51.01 H new ATOM 0 HA SER B 48 4.591 -0.975 -11.841 1.00 32.53 H new ATOM 0 HB2 SER B 48 3.932 0.635 -9.348 1.00 12.12 H new ATOM 0 HB3 SER B 48 5.236 -0.523 -9.517 1.00 12.12 H new ATOM 0 HG SER B 48 5.439 1.999 -9.988 1.00 70.12 H new ATOM 2590 N THR B 49 3.222 -2.758 -10.827 1.00 22.04 N ATOM 2591 CA THR B 49 2.430 -3.793 -10.270 1.00 52.41 C ATOM 2592 C THR B 49 3.031 -4.201 -8.958 1.00 53.41 C ATOM 2593 O THR B 49 4.155 -3.786 -8.624 1.00 31.34 O ATOM 2594 CB THR B 49 2.371 -5.041 -11.175 1.00 71.41 C ATOM 2595 OG1 THR B 49 3.683 -5.571 -11.367 1.00 22.32 O ATOM 2596 CG2 THR B 49 1.716 -4.744 -12.518 1.00 54.10 C ATOM 0 H THR B 49 4.005 -3.075 -11.398 1.00 22.04 H new ATOM 0 HA THR B 49 1.417 -3.407 -10.155 1.00 52.41 H new ATOM 0 HB THR B 49 1.752 -5.784 -10.671 1.00 71.41 H new ATOM 0 HG1 THR B 49 4.112 -5.117 -12.122 1.00 22.32 H new ATOM 0 HG21 THR B 49 1.696 -5.651 -13.122 1.00 54.10 H new ATOM 0 HG22 THR B 49 0.697 -4.394 -12.356 1.00 54.10 H new ATOM 0 HG23 THR B 49 2.286 -3.974 -13.038 1.00 54.10 H new ATOM 2604 N ALA B 50 2.319 -5.008 -8.212 1.00 10.43 N ATOM 2605 CA ALA B 50 2.822 -5.540 -6.996 1.00 14.45 C ATOM 2606 C ALA B 50 4.072 -6.390 -7.264 1.00 32.40 C ATOM 2607 O ALA B 50 5.059 -6.275 -6.556 1.00 74.21 O ATOM 2608 CB ALA B 50 1.719 -6.330 -6.294 1.00 20.44 C ATOM 0 H ALA B 50 1.372 -5.308 -8.443 1.00 10.43 H new ATOM 0 HA ALA B 50 3.127 -4.731 -6.332 1.00 14.45 H new ATOM 0 HB1 ALA B 50 2.103 -6.740 -5.360 1.00 20.44 H new ATOM 0 HB2 ALA B 50 0.877 -5.670 -6.082 1.00 20.44 H new ATOM 0 HB3 ALA B 50 1.388 -7.145 -6.938 1.00 20.44 H new ATOM 2614 N GLN B 51 4.020 -7.239 -8.316 1.00 41.21 N ATOM 2615 CA GLN B 51 5.200 -8.037 -8.696 1.00 32.41 C ATOM 2616 C GLN B 51 6.395 -7.157 -9.119 1.00 60.13 C ATOM 2617 O GLN B 51 7.525 -7.504 -8.824 1.00 35.13 O ATOM 2618 CB GLN B 51 4.912 -9.117 -9.766 1.00 24.54 C ATOM 2619 CG GLN B 51 4.540 -8.586 -11.133 1.00 65.23 C ATOM 2620 CD GLN B 51 4.450 -9.676 -12.181 1.00 31.04 C ATOM 2621 OE1 GLN B 51 5.446 -10.024 -12.820 1.00 13.32 O ATOM 2622 NE2 GLN B 51 3.280 -10.176 -12.415 1.00 0.34 N ATOM 0 H GLN B 51 3.197 -7.385 -8.900 1.00 41.21 H new ATOM 0 HA GLN B 51 5.473 -8.569 -7.785 1.00 32.41 H new ATOM 0 HB2 GLN B 51 5.794 -9.750 -9.867 1.00 24.54 H new ATOM 0 HB3 GLN B 51 4.103 -9.753 -9.408 1.00 24.54 H new ATOM 0 HG2 GLN B 51 3.582 -8.070 -11.069 1.00 65.23 H new ATOM 0 HG3 GLN B 51 5.279 -7.848 -11.445 1.00 65.23 H new ATOM 0 HE21 GLN B 51 2.475 -9.868 -11.869 1.00 0.34 H new ATOM 0 HE22 GLN B 51 3.162 -10.878 -13.145 1.00 0.34 H new ATOM 2631 N ASP B 52 6.135 -6.012 -9.809 1.00 62.33 N ATOM 2632 CA ASP B 52 7.242 -5.069 -10.182 1.00 60.23 C ATOM 2633 C ASP B 52 7.979 -4.642 -8.950 1.00 53.41 C ATOM 2634 O ASP B 52 9.207 -4.637 -8.903 1.00 71.04 O ATOM 2635 CB ASP B 52 6.753 -3.778 -10.898 1.00 13.22 C ATOM 2636 CG ASP B 52 6.258 -3.956 -12.307 1.00 25.33 C ATOM 2637 OD1 ASP B 52 7.051 -4.196 -13.198 1.00 33.21 O ATOM 2638 OD2 ASP B 52 5.071 -3.821 -12.549 1.00 22.55 O ATOM 0 H ASP B 52 5.205 -5.721 -10.112 1.00 62.33 H new ATOM 0 HA ASP B 52 7.877 -5.622 -10.875 1.00 60.23 H new ATOM 0 HB2 ASP B 52 5.951 -3.338 -10.305 1.00 13.22 H new ATOM 0 HB3 ASP B 52 7.572 -3.059 -10.909 1.00 13.22 H new ATOM 2643 N LEU B 53 7.216 -4.298 -7.952 1.00 40.35 N ATOM 2644 CA LEU B 53 7.740 -3.851 -6.693 1.00 33.14 C ATOM 2645 C LEU B 53 8.401 -4.975 -5.935 1.00 45.33 C ATOM 2646 O LEU B 53 9.531 -4.826 -5.459 1.00 54.34 O ATOM 2647 CB LEU B 53 6.589 -3.279 -5.875 1.00 33.41 C ATOM 2648 CG LEU B 53 6.039 -1.957 -6.367 1.00 31.14 C ATOM 2649 CD1 LEU B 53 4.683 -1.693 -5.735 1.00 40.22 C ATOM 2650 CD2 LEU B 53 7.018 -0.855 -5.988 1.00 54.54 C ATOM 0 H LEU B 53 6.197 -4.321 -7.991 1.00 40.35 H new ATOM 0 HA LEU B 53 8.501 -3.092 -6.874 1.00 33.14 H new ATOM 0 HB2 LEU B 53 5.779 -4.008 -5.860 1.00 33.41 H new ATOM 0 HB3 LEU B 53 6.924 -3.154 -4.845 1.00 33.41 H new ATOM 0 HG LEU B 53 5.914 -1.984 -7.450 1.00 31.14 H new ATOM 0 HD11 LEU B 53 4.294 -0.740 -6.094 1.00 40.22 H new ATOM 0 HD12 LEU B 53 3.993 -2.492 -6.006 1.00 40.22 H new ATOM 0 HD13 LEU B 53 4.788 -1.657 -4.651 1.00 40.22 H new ATOM 0 HD21 LEU B 53 6.637 0.105 -6.335 1.00 54.54 H new ATOM 0 HD22 LEU B 53 7.135 -0.829 -4.905 1.00 54.54 H new ATOM 0 HD23 LEU B 53 7.984 -1.051 -6.452 1.00 54.54 H new ATOM 2662 N GLU B 54 7.720 -6.097 -5.838 1.00 2.40 N ATOM 2663 CA GLU B 54 8.199 -7.241 -5.103 1.00 21.51 C ATOM 2664 C GLU B 54 9.492 -7.779 -5.691 1.00 13.35 C ATOM 2665 O GLU B 54 10.439 -7.956 -4.978 1.00 14.31 O ATOM 2666 CB GLU B 54 7.057 -8.278 -5.097 1.00 42.32 C ATOM 2667 CG GLU B 54 7.172 -9.497 -4.164 1.00 11.41 C ATOM 2668 CD GLU B 54 8.111 -10.587 -4.622 1.00 61.13 C ATOM 2669 OE1 GLU B 54 8.533 -10.589 -5.777 1.00 50.42 O ATOM 2670 OE2 GLU B 54 8.390 -11.498 -3.824 1.00 34.41 O ATOM 0 H GLU B 54 6.808 -6.239 -6.273 1.00 2.40 H new ATOM 0 HA GLU B 54 8.453 -6.973 -4.077 1.00 21.51 H new ATOM 0 HB2 GLU B 54 6.135 -7.754 -4.844 1.00 42.32 H new ATOM 0 HB3 GLU B 54 6.943 -8.650 -6.115 1.00 42.32 H new ATOM 0 HG2 GLU B 54 7.498 -9.151 -3.183 1.00 11.41 H new ATOM 0 HG3 GLU B 54 6.179 -9.928 -4.036 1.00 11.41 H new ATOM 2677 N ALA B 55 9.530 -7.989 -6.989 1.00 40.01 N ATOM 2678 CA ALA B 55 10.744 -8.468 -7.651 1.00 43.54 C ATOM 2679 C ALA B 55 11.889 -7.480 -7.455 1.00 30.32 C ATOM 2680 O ALA B 55 13.031 -7.875 -7.126 1.00 31.13 O ATOM 2681 CB ALA B 55 10.480 -8.693 -9.132 1.00 1.23 C ATOM 0 H ALA B 55 8.739 -7.838 -7.615 1.00 40.01 H new ATOM 0 HA ALA B 55 11.034 -9.417 -7.200 1.00 43.54 H new ATOM 0 HB1 ALA B 55 11.390 -9.049 -9.614 1.00 1.23 H new ATOM 0 HB2 ALA B 55 9.691 -9.436 -9.252 1.00 1.23 H new ATOM 0 HB3 ALA B 55 10.169 -7.755 -9.593 1.00 1.23 H new ATOM 2687 N HIS B 56 11.584 -6.205 -7.584 1.00 23.11 N ATOM 2688 CA HIS B 56 12.613 -5.177 -7.498 1.00 22.42 C ATOM 2689 C HIS B 56 13.190 -5.126 -6.084 1.00 23.44 C ATOM 2690 O HIS B 56 14.393 -4.963 -5.901 1.00 62.30 O ATOM 2691 CB HIS B 56 12.071 -3.801 -7.925 1.00 12.40 C ATOM 2692 CG HIS B 56 13.119 -2.719 -8.046 1.00 43.15 C ATOM 2693 ND1 HIS B 56 13.688 -2.365 -9.245 1.00 13.23 N ATOM 2694 CD2 HIS B 56 13.678 -1.904 -7.120 1.00 4.35 C ATOM 2695 CE1 HIS B 56 14.544 -1.390 -9.057 1.00 44.34 C ATOM 2696 NE2 HIS B 56 14.561 -1.087 -7.780 1.00 33.44 N ATOM 0 H HIS B 56 10.641 -5.853 -7.748 1.00 23.11 H new ATOM 0 HA HIS B 56 13.413 -5.438 -8.190 1.00 22.42 H new ATOM 0 HB2 HIS B 56 11.565 -3.907 -8.885 1.00 12.40 H new ATOM 0 HB3 HIS B 56 11.320 -3.481 -7.202 1.00 12.40 H new ATOM 0 HD2 HIS B 56 13.468 -1.898 -6.061 1.00 4.35 H new ATOM 0 HE1 HIS B 56 15.137 -0.915 -9.825 1.00 44.34 H new ATOM 0 HE2 HIS B 56 15.136 -0.363 -7.349 1.00 33.44 H new ATOM 2705 N PHE B 57 12.331 -5.273 -5.101 1.00 63.21 N ATOM 2706 CA PHE B 57 12.737 -5.279 -3.709 1.00 24.23 C ATOM 2707 C PHE B 57 13.256 -6.620 -3.236 1.00 35.14 C ATOM 2708 O PHE B 57 13.997 -6.698 -2.262 1.00 45.53 O ATOM 2709 CB PHE B 57 11.698 -4.682 -2.784 1.00 22.41 C ATOM 2710 CG PHE B 57 11.682 -3.189 -2.853 1.00 32.54 C ATOM 2711 CD1 PHE B 57 12.641 -2.476 -2.178 1.00 24.01 C ATOM 2712 CD2 PHE B 57 10.742 -2.503 -3.588 1.00 60.54 C ATOM 2713 CE1 PHE B 57 12.668 -1.102 -2.226 1.00 71.32 C ATOM 2714 CE2 PHE B 57 10.767 -1.123 -3.641 1.00 51.14 C ATOM 2715 CZ PHE B 57 11.733 -0.430 -2.957 1.00 25.10 C ATOM 0 H PHE B 57 11.328 -5.392 -5.242 1.00 63.21 H new ATOM 0 HA PHE B 57 13.595 -4.608 -3.659 1.00 24.23 H new ATOM 0 HB2 PHE B 57 10.713 -5.068 -3.047 1.00 22.41 H new ATOM 0 HB3 PHE B 57 11.900 -4.996 -1.760 1.00 22.41 H new ATOM 0 HD1 PHE B 57 13.386 -3.002 -1.600 1.00 24.01 H new ATOM 0 HD2 PHE B 57 9.980 -3.047 -4.127 1.00 60.54 H new ATOM 0 HE1 PHE B 57 13.428 -0.556 -1.686 1.00 71.32 H new ATOM 0 HE2 PHE B 57 10.027 -0.590 -4.220 1.00 51.14 H new ATOM 0 HZ PHE B 57 11.753 0.649 -2.997 1.00 25.10 H new ATOM 2725 N SER B 58 12.880 -7.665 -3.939 1.00 24.51 N ATOM 2726 CA SER B 58 13.263 -9.017 -3.588 1.00 74.00 C ATOM 2727 C SER B 58 14.750 -9.179 -3.851 1.00 71.25 C ATOM 2728 O SER B 58 15.412 -10.054 -3.282 1.00 34.34 O ATOM 2729 CB SER B 58 12.441 -10.071 -4.361 1.00 2.10 C ATOM 2730 OG SER B 58 12.698 -11.399 -3.889 1.00 33.44 O ATOM 0 H SER B 58 12.298 -7.602 -4.774 1.00 24.51 H new ATOM 0 HA SER B 58 13.053 -9.183 -2.531 1.00 74.00 H new ATOM 0 HB2 SER B 58 11.379 -9.849 -4.260 1.00 2.10 H new ATOM 0 HB3 SER B 58 12.680 -10.010 -5.423 1.00 2.10 H new ATOM 0 HG SER B 58 12.159 -12.038 -4.401 1.00 33.44 H new ATOM 2736 N SER B 59 15.282 -8.347 -4.740 1.00 31.11 N ATOM 2737 CA SER B 59 16.705 -8.284 -4.969 1.00 23.42 C ATOM 2738 C SER B 59 17.433 -7.925 -3.649 1.00 40.14 C ATOM 2739 O SER B 59 18.566 -8.352 -3.406 1.00 1.22 O ATOM 2740 CB SER B 59 16.970 -7.195 -6.002 1.00 50.35 C ATOM 2741 OG SER B 59 16.183 -7.415 -7.171 1.00 54.53 O ATOM 0 H SER B 59 14.736 -7.705 -5.314 1.00 31.11 H new ATOM 0 HA SER B 59 17.071 -9.247 -5.324 1.00 23.42 H new ATOM 0 HB2 SER B 59 16.737 -6.218 -5.578 1.00 50.35 H new ATOM 0 HB3 SER B 59 18.028 -7.184 -6.265 1.00 50.35 H new ATOM 0 HG SER B 59 16.363 -6.707 -7.824 1.00 54.53 H new ATOM 2747 N CYS B 60 16.757 -7.152 -2.808 1.00 13.23 N ATOM 2748 CA CYS B 60 17.297 -6.695 -1.546 1.00 63.42 C ATOM 2749 C CYS B 60 16.883 -7.600 -0.360 1.00 73.34 C ATOM 2750 O CYS B 60 17.130 -7.253 0.794 1.00 42.33 O ATOM 2751 CB CYS B 60 16.820 -5.257 -1.297 1.00 11.44 C ATOM 2752 SG CYS B 60 17.292 -4.080 -2.591 1.00 30.43 S ATOM 0 H CYS B 60 15.808 -6.824 -2.991 1.00 13.23 H new ATOM 0 HA CYS B 60 18.384 -6.736 -1.610 1.00 63.42 H new ATOM 0 HB2 CYS B 60 15.734 -5.258 -1.202 1.00 11.44 H new ATOM 0 HB3 CYS B 60 17.223 -4.913 -0.345 1.00 11.44 H new ATOM 0 HG CYS B 60 17.965 -3.101 -2.063 1.00 30.43 H new ATOM 2758 N GLY B 61 16.302 -8.757 -0.639 1.00 12.15 N ATOM 2759 CA GLY B 61 15.886 -9.639 0.450 1.00 4.24 C ATOM 2760 C GLY B 61 14.591 -10.379 0.183 1.00 2.20 C ATOM 2761 O GLY B 61 14.048 -10.321 -0.916 1.00 4.33 O ATOM 0 H GLY B 61 16.110 -9.103 -1.579 1.00 12.15 H new ATOM 0 HA2 GLY B 61 16.676 -10.366 0.637 1.00 4.24 H new ATOM 0 HA3 GLY B 61 15.774 -9.049 1.360 1.00 4.24 H new ATOM 2765 N SER B 62 14.093 -11.065 1.191 1.00 65.42 N ATOM 2766 CA SER B 62 12.880 -11.834 1.067 1.00 71.24 C ATOM 2767 C SER B 62 11.701 -11.024 1.587 1.00 52.43 C ATOM 2768 O SER B 62 11.732 -10.503 2.705 1.00 45.23 O ATOM 2769 CB SER B 62 13.004 -13.155 1.841 1.00 34.22 C ATOM 2770 OG SER B 62 11.839 -13.958 1.687 1.00 22.53 O ATOM 0 H SER B 62 14.520 -11.103 2.117 1.00 65.42 H new ATOM 0 HA SER B 62 12.713 -12.066 0.015 1.00 71.24 H new ATOM 0 HB2 SER B 62 13.876 -13.705 1.488 1.00 34.22 H new ATOM 0 HB3 SER B 62 13.166 -12.945 2.898 1.00 34.22 H new ATOM 0 HG SER B 62 11.948 -14.792 2.189 1.00 22.53 H new ATOM 2776 N ILE B 63 10.693 -10.910 0.777 1.00 51.52 N ATOM 2777 CA ILE B 63 9.508 -10.155 1.103 1.00 10.23 C ATOM 2778 C ILE B 63 8.430 -11.011 1.788 1.00 1.14 C ATOM 2779 O ILE B 63 8.141 -12.133 1.356 1.00 0.31 O ATOM 2780 CB ILE B 63 8.958 -9.485 -0.174 1.00 22.44 C ATOM 2781 CG1 ILE B 63 9.965 -8.437 -0.661 1.00 34.43 C ATOM 2782 CG2 ILE B 63 7.577 -8.886 0.041 1.00 22.11 C ATOM 2783 CD1 ILE B 63 9.573 -7.739 -1.930 1.00 73.24 C ATOM 0 H ILE B 63 10.664 -11.344 -0.146 1.00 51.52 H new ATOM 0 HA ILE B 63 9.788 -9.388 1.825 1.00 10.23 H new ATOM 0 HB ILE B 63 8.834 -10.246 -0.944 1.00 22.44 H new ATOM 0 HG12 ILE B 63 10.101 -7.691 0.122 1.00 34.43 H new ATOM 0 HG13 ILE B 63 10.930 -8.921 -0.811 1.00 34.43 H new ATOM 0 HG21 ILE B 63 7.232 -8.426 -0.885 1.00 22.11 H new ATOM 0 HG22 ILE B 63 6.882 -9.672 0.337 1.00 22.11 H new ATOM 0 HG23 ILE B 63 7.626 -8.130 0.825 1.00 22.11 H new ATOM 0 HD11 ILE B 63 10.342 -7.016 -2.200 1.00 73.24 H new ATOM 0 HD12 ILE B 63 9.467 -8.471 -2.730 1.00 73.24 H new ATOM 0 HD13 ILE B 63 8.625 -7.222 -1.783 1.00 73.24 H new ATOM 2795 N ASN B 64 7.868 -10.468 2.876 1.00 35.11 N ATOM 2796 CA ASN B 64 6.770 -11.110 3.611 1.00 31.34 C ATOM 2797 C ASN B 64 5.443 -10.495 3.274 1.00 3.04 C ATOM 2798 O ASN B 64 4.446 -11.173 3.241 1.00 52.32 O ATOM 2799 CB ASN B 64 6.948 -11.059 5.135 1.00 51.22 C ATOM 2800 CG ASN B 64 8.062 -11.924 5.647 1.00 41.21 C ATOM 2801 OD1 ASN B 64 8.412 -12.929 5.034 1.00 24.04 O ATOM 2802 ND2 ASN B 64 8.606 -11.567 6.781 1.00 71.23 N ATOM 0 H ASN B 64 8.161 -9.574 3.271 1.00 35.11 H new ATOM 0 HA ASN B 64 6.795 -12.153 3.294 1.00 31.34 H new ATOM 0 HB2 ASN B 64 7.135 -10.028 5.435 1.00 51.22 H new ATOM 0 HB3 ASN B 64 6.016 -11.365 5.610 1.00 51.22 H new ATOM 0 HD21 ASN B 64 9.351 -12.131 7.189 1.00 71.23 H new ATOM 0 HD22 ASN B 64 8.285 -10.724 7.258 1.00 71.23 H new ATOM 2809 N ARG B 65 5.428 -9.211 3.050 1.00 60.42 N ATOM 2810 CA ARG B 65 4.199 -8.495 2.705 1.00 75.23 C ATOM 2811 C ARG B 65 4.554 -7.282 1.901 1.00 24.53 C ATOM 2812 O ARG B 65 5.692 -6.831 1.937 1.00 72.23 O ATOM 2813 CB ARG B 65 3.419 -7.981 3.949 1.00 65.15 C ATOM 2814 CG ARG B 65 2.902 -9.000 4.959 1.00 72.40 C ATOM 2815 CD ARG B 65 2.080 -8.275 6.035 1.00 74.04 C ATOM 2816 NE ARG B 65 1.428 -9.193 6.991 1.00 63.43 N ATOM 2817 CZ ARG B 65 0.417 -8.836 7.828 1.00 33.55 C ATOM 2818 NH1 ARG B 65 0.006 -7.568 7.903 1.00 60.20 N ATOM 2819 NH2 ARG B 65 -0.158 -9.751 8.606 1.00 71.52 N ATOM 0 H ARG B 65 6.257 -8.619 3.097 1.00 60.42 H new ATOM 0 HA ARG B 65 3.573 -9.203 2.162 1.00 75.23 H new ATOM 0 HB2 ARG B 65 4.068 -7.286 4.482 1.00 65.15 H new ATOM 0 HB3 ARG B 65 2.564 -7.408 3.590 1.00 65.15 H new ATOM 0 HG2 ARG B 65 2.287 -9.747 4.457 1.00 72.40 H new ATOM 0 HG3 ARG B 65 3.737 -9.530 5.418 1.00 72.40 H new ATOM 0 HD2 ARG B 65 2.732 -7.594 6.583 1.00 74.04 H new ATOM 0 HD3 ARG B 65 1.318 -7.665 5.550 1.00 74.04 H new ATOM 0 HE ARG B 65 1.757 -10.158 7.026 1.00 63.43 H new ATOM 0 HH11 ARG B 65 0.451 -6.853 7.328 1.00 60.20 H new ATOM 0 HH12 ARG B 65 -0.753 -7.315 8.535 1.00 60.20 H new ATOM 0 HH21 ARG B 65 0.160 -10.720 8.574 1.00 71.52 H new ATOM 0 HH22 ARG B 65 -0.916 -9.483 9.234 1.00 71.52 H new ATOM 2833 N ILE B 66 3.602 -6.762 1.175 1.00 12.14 N ATOM 2834 CA ILE B 66 3.757 -5.482 0.525 1.00 35.22 C ATOM 2835 C ILE B 66 2.418 -4.814 0.543 1.00 72.31 C ATOM 2836 O ILE B 66 1.389 -5.469 0.353 1.00 23.12 O ATOM 2837 CB ILE B 66 4.339 -5.468 -0.957 1.00 71.20 C ATOM 2838 CG1 ILE B 66 3.395 -6.043 -1.996 1.00 71.23 C ATOM 2839 CG2 ILE B 66 5.677 -6.161 -1.056 1.00 23.13 C ATOM 2840 CD1 ILE B 66 3.957 -5.948 -3.407 1.00 71.13 C ATOM 0 H ILE B 66 2.699 -7.209 1.016 1.00 12.14 H new ATOM 0 HA ILE B 66 4.528 -4.960 1.092 1.00 35.22 H new ATOM 0 HB ILE B 66 4.466 -4.409 -1.182 1.00 71.20 H new ATOM 0 HG12 ILE B 66 3.191 -7.087 -1.759 1.00 71.23 H new ATOM 0 HG13 ILE B 66 2.443 -5.514 -1.951 1.00 71.23 H new ATOM 0 HG21 ILE B 66 6.031 -6.124 -2.086 1.00 23.13 H new ATOM 0 HG22 ILE B 66 6.395 -5.659 -0.408 1.00 23.13 H new ATOM 0 HG23 ILE B 66 5.572 -7.201 -0.746 1.00 23.13 H new ATOM 0 HD11 ILE B 66 3.243 -6.373 -4.112 1.00 71.13 H new ATOM 0 HD12 ILE B 66 4.136 -4.902 -3.658 1.00 71.13 H new ATOM 0 HD13 ILE B 66 4.895 -6.500 -3.463 1.00 71.13 H new ATOM 2852 N THR B 67 2.422 -3.565 0.793 1.00 11.25 N ATOM 2853 CA THR B 67 1.231 -2.799 0.854 1.00 72.04 C ATOM 2854 C THR B 67 1.382 -1.648 -0.095 1.00 3.22 C ATOM 2855 O THR B 67 2.323 -0.904 0.017 1.00 23.13 O ATOM 2856 CB THR B 67 0.983 -2.292 2.295 1.00 74.24 C ATOM 2857 OG1 THR B 67 0.913 -3.399 3.199 1.00 45.32 O ATOM 2858 CG2 THR B 67 -0.299 -1.480 2.384 1.00 23.11 C ATOM 0 H THR B 67 3.271 -3.027 0.966 1.00 11.25 H new ATOM 0 HA THR B 67 0.372 -3.409 0.573 1.00 72.04 H new ATOM 0 HB THR B 67 1.817 -1.646 2.569 1.00 74.24 H new ATOM 0 HG1 THR B 67 0.758 -3.069 4.109 1.00 45.32 H new ATOM 0 HG21 THR B 67 -0.443 -1.139 3.409 1.00 23.11 H new ATOM 0 HG22 THR B 67 -0.230 -0.617 1.721 1.00 23.11 H new ATOM 0 HG23 THR B 67 -1.144 -2.100 2.086 1.00 23.11 H new ATOM 2866 N ILE B 68 0.487 -1.503 -1.023 1.00 4.42 N ATOM 2867 CA ILE B 68 0.599 -0.448 -1.988 1.00 20.22 C ATOM 2868 C ILE B 68 -0.631 0.398 -1.824 1.00 53.43 C ATOM 2869 O ILE B 68 -1.728 -0.118 -1.902 1.00 52.13 O ATOM 2870 CB ILE B 68 0.624 -0.941 -3.490 1.00 25.42 C ATOM 2871 CG1 ILE B 68 1.552 -2.140 -3.755 1.00 33.22 C ATOM 2872 CG2 ILE B 68 1.009 0.196 -4.430 1.00 14.42 C ATOM 2873 CD1 ILE B 68 0.982 -3.475 -3.332 1.00 73.32 C ATOM 0 H ILE B 68 -0.331 -2.102 -1.135 1.00 4.42 H new ATOM 0 HA ILE B 68 1.541 0.070 -1.808 1.00 20.22 H new ATOM 0 HB ILE B 68 -0.394 -1.279 -3.686 1.00 25.42 H new ATOM 0 HG12 ILE B 68 1.782 -2.178 -4.820 1.00 33.22 H new ATOM 0 HG13 ILE B 68 2.494 -1.978 -3.231 1.00 33.22 H new ATOM 0 HG21 ILE B 68 1.019 -0.169 -5.457 1.00 14.42 H new ATOM 0 HG22 ILE B 68 0.284 1.005 -4.339 1.00 14.42 H new ATOM 0 HG23 ILE B 68 2.000 0.566 -4.167 1.00 14.42 H new ATOM 0 HD11 ILE B 68 1.700 -4.264 -3.555 1.00 73.32 H new ATOM 0 HD12 ILE B 68 0.778 -3.461 -2.261 1.00 73.32 H new ATOM 0 HD13 ILE B 68 0.056 -3.664 -3.875 1.00 73.32 H new ATOM 2885 N LEU B 69 -0.478 1.636 -1.537 1.00 63.34 N ATOM 2886 CA LEU B 69 -1.616 2.500 -1.444 1.00 70.44 C ATOM 2887 C LEU B 69 -1.528 3.653 -2.415 1.00 41.01 C ATOM 2888 O LEU B 69 -0.561 4.409 -2.417 1.00 31.10 O ATOM 2889 CB LEU B 69 -2.038 2.914 0.003 1.00 41.15 C ATOM 2890 CG LEU B 69 -1.028 3.609 0.929 1.00 51.33 C ATOM 2891 CD1 LEU B 69 -1.760 4.100 2.169 1.00 70.14 C ATOM 2892 CD2 LEU B 69 0.074 2.649 1.362 1.00 53.44 C ATOM 0 H LEU B 69 0.421 2.084 -1.360 1.00 63.34 H new ATOM 0 HA LEU B 69 -2.459 1.885 -1.759 1.00 70.44 H new ATOM 0 HB2 LEU B 69 -2.902 3.573 -0.087 1.00 41.15 H new ATOM 0 HB3 LEU B 69 -2.377 2.012 0.512 1.00 41.15 H new ATOM 0 HG LEU B 69 -0.574 4.438 0.387 1.00 51.33 H new ATOM 0 HD11 LEU B 69 -1.054 4.596 2.836 1.00 70.14 H new ATOM 0 HD12 LEU B 69 -2.539 4.804 1.877 1.00 70.14 H new ATOM 0 HD13 LEU B 69 -2.212 3.252 2.684 1.00 70.14 H new ATOM 0 HD21 LEU B 69 0.773 3.169 2.016 1.00 53.44 H new ATOM 0 HD22 LEU B 69 -0.366 1.807 1.897 1.00 53.44 H new ATOM 0 HD23 LEU B 69 0.604 2.283 0.483 1.00 53.44 H new ATOM 2904 N CYS B 70 -2.507 3.769 -3.246 1.00 22.23 N ATOM 2905 CA CYS B 70 -2.542 4.793 -4.244 1.00 3.42 C ATOM 2906 C CYS B 70 -3.728 5.683 -3.956 1.00 73.11 C ATOM 2907 O CYS B 70 -4.837 5.176 -3.713 1.00 71.30 O ATOM 2908 CB CYS B 70 -2.663 4.153 -5.617 1.00 64.10 C ATOM 2909 SG CYS B 70 -1.337 2.987 -6.012 1.00 12.35 S ATOM 0 H CYS B 70 -3.317 3.150 -3.255 1.00 22.23 H new ATOM 0 HA CYS B 70 -1.629 5.388 -4.228 1.00 3.42 H new ATOM 0 HB2 CYS B 70 -3.619 3.633 -5.680 1.00 64.10 H new ATOM 0 HB3 CYS B 70 -2.677 4.939 -6.372 1.00 64.10 H new ATOM 0 HG CYS B 70 -1.531 2.495 -7.200 1.00 12.35 H new ATOM 2915 N ASP B 71 -3.527 6.978 -3.941 1.00 21.34 N ATOM 2916 CA ASP B 71 -4.612 7.869 -3.592 1.00 41.42 C ATOM 2917 C ASP B 71 -4.887 8.822 -4.704 1.00 13.31 C ATOM 2918 O ASP B 71 -3.992 9.245 -5.384 1.00 61.31 O ATOM 2919 CB ASP B 71 -4.299 8.667 -2.326 1.00 34.21 C ATOM 2920 CG ASP B 71 -3.276 9.770 -2.534 1.00 34.11 C ATOM 2921 OD1 ASP B 71 -2.085 9.510 -2.487 1.00 53.13 O ATOM 2922 OD2 ASP B 71 -3.675 10.930 -2.729 1.00 10.21 O ATOM 0 H ASP B 71 -2.642 7.434 -4.161 1.00 21.34 H new ATOM 0 HA ASP B 71 -5.489 7.248 -3.410 1.00 41.42 H new ATOM 0 HB2 ASP B 71 -5.222 9.107 -1.948 1.00 34.21 H new ATOM 0 HB3 ASP B 71 -3.933 7.985 -1.559 1.00 34.21 H new ATOM 2927 N LYS B 72 -6.121 9.151 -4.902 1.00 61.11 N ATOM 2928 CA LYS B 72 -6.456 10.104 -5.918 1.00 30.32 C ATOM 2929 C LYS B 72 -7.195 11.278 -5.281 1.00 33.54 C ATOM 2930 O LYS B 72 -7.645 12.207 -5.970 1.00 63.45 O ATOM 2931 CB LYS B 72 -7.304 9.433 -7.006 1.00 42.42 C ATOM 2932 CG LYS B 72 -7.470 10.248 -8.285 1.00 64.02 C ATOM 2933 CD LYS B 72 -8.414 9.575 -9.279 1.00 34.03 C ATOM 2934 CE LYS B 72 -7.918 8.199 -9.693 1.00 3.50 C ATOM 2935 NZ LYS B 72 -8.823 7.558 -10.680 1.00 13.22 N ATOM 0 H LYS B 72 -6.913 8.778 -4.379 1.00 61.11 H new ATOM 0 HA LYS B 72 -5.548 10.481 -6.389 1.00 30.32 H new ATOM 0 HB2 LYS B 72 -6.851 8.474 -7.260 1.00 42.42 H new ATOM 0 HB3 LYS B 72 -8.292 9.221 -6.597 1.00 42.42 H new ATOM 0 HG2 LYS B 72 -7.853 11.238 -8.036 1.00 64.02 H new ATOM 0 HG3 LYS B 72 -6.495 10.391 -8.752 1.00 64.02 H new ATOM 0 HD2 LYS B 72 -9.405 9.484 -8.834 1.00 34.03 H new ATOM 0 HD3 LYS B 72 -8.518 10.204 -10.163 1.00 34.03 H new ATOM 0 HE2 LYS B 72 -6.919 8.287 -10.120 1.00 3.50 H new ATOM 0 HE3 LYS B 72 -7.833 7.563 -8.812 1.00 3.50 H new ATOM 0 HZ1 LYS B 72 -8.477 6.602 -10.898 1.00 13.22 H new ATOM 0 HZ2 LYS B 72 -9.782 7.497 -10.283 1.00 13.22 H new ATOM 0 HZ3 LYS B 72 -8.844 8.126 -11.551 1.00 13.22 H new ATOM 2949 N PHE B 73 -7.292 11.260 -3.945 1.00 25.21 N ATOM 2950 CA PHE B 73 -7.999 12.323 -3.232 1.00 62.34 C ATOM 2951 C PHE B 73 -7.236 13.634 -3.370 1.00 63.33 C ATOM 2952 O PHE B 73 -7.815 14.712 -3.319 1.00 3.35 O ATOM 2953 CB PHE B 73 -8.245 11.977 -1.729 1.00 55.43 C ATOM 2954 CG PHE B 73 -7.029 11.972 -0.826 1.00 21.22 C ATOM 2955 CD1 PHE B 73 -6.573 13.150 -0.241 1.00 50.54 C ATOM 2956 CD2 PHE B 73 -6.359 10.807 -0.556 1.00 3.32 C ATOM 2957 CE1 PHE B 73 -5.474 13.153 0.589 1.00 14.24 C ATOM 2958 CE2 PHE B 73 -5.255 10.801 0.281 1.00 63.23 C ATOM 2959 CZ PHE B 73 -4.812 11.975 0.851 1.00 43.50 C ATOM 0 H PHE B 73 -6.896 10.534 -3.348 1.00 25.21 H new ATOM 0 HA PHE B 73 -8.983 12.427 -3.689 1.00 62.34 H new ATOM 0 HB2 PHE B 73 -8.964 12.692 -1.328 1.00 55.43 H new ATOM 0 HB3 PHE B 73 -8.711 10.993 -1.678 1.00 55.43 H new ATOM 0 HD1 PHE B 73 -7.090 14.077 -0.441 1.00 50.54 H new ATOM 0 HD2 PHE B 73 -6.696 9.882 -1.001 1.00 3.32 H new ATOM 0 HE1 PHE B 73 -5.133 14.077 1.033 1.00 14.24 H new ATOM 0 HE2 PHE B 73 -4.740 9.874 0.487 1.00 63.23 H new ATOM 0 HZ PHE B 73 -3.949 11.971 1.500 1.00 43.50 H new ATOM 2969 N SER B 74 -5.934 13.518 -3.568 1.00 11.10 N ATOM 2970 CA SER B 74 -5.063 14.658 -3.737 1.00 3.32 C ATOM 2971 C SER B 74 -5.371 15.423 -5.034 1.00 21.23 C ATOM 2972 O SER B 74 -4.991 16.572 -5.180 1.00 45.44 O ATOM 2973 CB SER B 74 -3.617 14.191 -3.739 1.00 75.24 C ATOM 2974 OG SER B 74 -3.321 13.487 -2.545 1.00 23.41 O ATOM 0 H SER B 74 -5.452 12.620 -3.616 1.00 11.10 H new ATOM 0 HA SER B 74 -5.232 15.342 -2.905 1.00 3.32 H new ATOM 0 HB2 SER B 74 -3.437 13.548 -4.601 1.00 75.24 H new ATOM 0 HB3 SER B 74 -2.952 15.049 -3.837 1.00 75.24 H new ATOM 0 HG SER B 74 -3.814 12.640 -2.534 1.00 23.41 H new ATOM 2980 N GLY B 75 -6.057 14.771 -5.959 1.00 74.14 N ATOM 2981 CA GLY B 75 -6.378 15.376 -7.232 1.00 50.04 C ATOM 2982 C GLY B 75 -5.781 14.547 -8.305 1.00 52.43 C ATOM 2983 O GLY B 75 -6.450 14.117 -9.248 1.00 53.13 O ATOM 0 H GLY B 75 -6.402 13.818 -5.846 1.00 74.14 H new ATOM 0 HA2 GLY B 75 -7.459 15.441 -7.360 1.00 50.04 H new ATOM 0 HA3 GLY B 75 -5.989 16.393 -7.278 1.00 50.04 H new ATOM 2987 N HIS B 76 -4.520 14.301 -8.135 1.00 65.13 N ATOM 2988 CA HIS B 76 -3.786 13.405 -8.981 1.00 4.54 C ATOM 2989 C HIS B 76 -3.758 12.109 -8.269 1.00 24.44 C ATOM 2990 O HIS B 76 -3.793 12.094 -7.034 1.00 73.13 O ATOM 2991 CB HIS B 76 -2.339 13.854 -9.222 1.00 15.53 C ATOM 2992 CG HIS B 76 -2.179 15.154 -9.917 1.00 51.51 C ATOM 2993 ND1 HIS B 76 -1.033 15.903 -9.835 1.00 54.11 N ATOM 2994 CD2 HIS B 76 -3.009 15.831 -10.736 1.00 42.15 C ATOM 2995 CE1 HIS B 76 -1.166 16.982 -10.568 1.00 73.35 C ATOM 2996 NE2 HIS B 76 -2.354 16.961 -11.122 1.00 40.10 N ATOM 0 H HIS B 76 -3.960 14.722 -7.394 1.00 65.13 H new ATOM 0 HA HIS B 76 -4.267 13.361 -9.958 1.00 4.54 H new ATOM 0 HB2 HIS B 76 -1.830 13.912 -8.260 1.00 15.53 H new ATOM 0 HB3 HIS B 76 -1.831 13.086 -9.805 1.00 15.53 H new ATOM 0 HD2 HIS B 76 -4.005 15.534 -11.030 1.00 42.15 H new ATOM 0 HE1 HIS B 76 -0.423 17.756 -10.694 1.00 73.35 H new ATOM 0 HE2 HIS B 76 -2.729 17.678 -11.744 1.00 40.10 H new ATOM 3005 N PRO B 77 -3.732 11.008 -8.971 1.00 75.43 N ATOM 3006 CA PRO B 77 -3.567 9.759 -8.323 1.00 34.42 C ATOM 3007 C PRO B 77 -2.082 9.550 -8.017 1.00 22.12 C ATOM 3008 O PRO B 77 -1.235 9.497 -8.927 1.00 43.25 O ATOM 3009 CB PRO B 77 -4.108 8.770 -9.357 1.00 22.03 C ATOM 3010 CG PRO B 77 -3.873 9.412 -10.680 1.00 51.24 C ATOM 3011 CD PRO B 77 -3.872 10.891 -10.433 1.00 23.12 C ATOM 0 HA PRO B 77 -4.080 9.658 -7.366 1.00 34.42 H new ATOM 0 HB2 PRO B 77 -3.595 7.811 -9.289 1.00 22.03 H new ATOM 0 HB3 PRO B 77 -5.169 8.576 -9.197 1.00 22.03 H new ATOM 0 HG2 PRO B 77 -2.924 9.088 -11.107 1.00 51.24 H new ATOM 0 HG3 PRO B 77 -4.652 9.136 -11.390 1.00 51.24 H new ATOM 0 HD2 PRO B 77 -3.050 11.382 -10.953 1.00 23.12 H new ATOM 0 HD3 PRO B 77 -4.794 11.355 -10.784 1.00 23.12 H new ATOM 3019 N LYS B 78 -1.770 9.476 -6.752 1.00 54.12 N ATOM 3020 CA LYS B 78 -0.427 9.304 -6.299 1.00 31.23 C ATOM 3021 C LYS B 78 -0.253 7.886 -5.842 1.00 62.14 C ATOM 3022 O LYS B 78 -1.136 7.050 -6.039 1.00 11.35 O ATOM 3023 CB LYS B 78 -0.125 10.221 -5.102 1.00 35.23 C ATOM 3024 CG LYS B 78 -0.538 11.667 -5.253 1.00 33.13 C ATOM 3025 CD LYS B 78 0.226 12.581 -4.274 1.00 62.02 C ATOM 3026 CE LYS B 78 0.206 12.098 -2.813 1.00 54.44 C ATOM 3027 NZ LYS B 78 -1.143 11.985 -2.247 1.00 41.23 N ATOM 0 H LYS B 78 -2.456 9.535 -6.000 1.00 54.12 H new ATOM 0 HA LYS B 78 0.247 9.549 -7.120 1.00 31.23 H new ATOM 0 HB2 LYS B 78 -0.622 9.812 -4.222 1.00 35.23 H new ATOM 0 HB3 LYS B 78 0.947 10.189 -4.907 1.00 35.23 H new ATOM 0 HG2 LYS B 78 -0.353 11.994 -6.276 1.00 33.13 H new ATOM 0 HG3 LYS B 78 -1.610 11.760 -5.077 1.00 33.13 H new ATOM 0 HD2 LYS B 78 1.262 12.662 -4.604 1.00 62.02 H new ATOM 0 HD3 LYS B 78 -0.203 13.582 -4.320 1.00 62.02 H new ATOM 0 HE2 LYS B 78 0.698 11.127 -2.754 1.00 54.44 H new ATOM 0 HE3 LYS B 78 0.789 12.788 -2.204 1.00 54.44 H new ATOM 0 HZ1 LYS B 78 -1.081 11.923 -1.211 1.00 41.23 H new ATOM 0 HZ2 LYS B 78 -1.701 12.822 -2.511 1.00 41.23 H new ATOM 0 HZ3 LYS B 78 -1.604 11.130 -2.618 1.00 41.23 H new ATOM 3041 N GLY B 79 0.843 7.623 -5.185 1.00 31.10 N ATOM 3042 CA GLY B 79 1.092 6.315 -4.744 1.00 44.35 C ATOM 3043 C GLY B 79 2.230 6.226 -3.784 1.00 54.12 C ATOM 3044 O GLY B 79 3.259 6.888 -3.942 1.00 4.34 O ATOM 0 H GLY B 79 1.564 8.307 -4.953 1.00 31.10 H new ATOM 0 HA2 GLY B 79 0.193 5.921 -4.270 1.00 44.35 H new ATOM 0 HA3 GLY B 79 1.302 5.681 -5.606 1.00 44.35 H new ATOM 3048 N TYR B 80 2.043 5.415 -2.804 1.00 3.41 N ATOM 3049 CA TYR B 80 3.043 5.098 -1.845 1.00 50.12 C ATOM 3050 C TYR B 80 2.822 3.702 -1.339 1.00 2.44 C ATOM 3051 O TYR B 80 1.705 3.248 -1.247 1.00 3.51 O ATOM 3052 CB TYR B 80 3.213 6.172 -0.737 1.00 21.01 C ATOM 3053 CG TYR B 80 1.973 6.620 0.044 1.00 1.14 C ATOM 3054 CD1 TYR B 80 1.042 7.487 -0.527 1.00 5.22 C ATOM 3055 CD2 TYR B 80 1.771 6.227 1.367 1.00 61.13 C ATOM 3056 CE1 TYR B 80 -0.049 7.944 0.194 1.00 51.54 C ATOM 3057 CE2 TYR B 80 0.672 6.679 2.090 1.00 10.30 C ATOM 3058 CZ TYR B 80 -0.227 7.532 1.498 1.00 12.13 C ATOM 3059 OH TYR B 80 -1.302 7.991 2.224 1.00 55.10 O ATOM 0 H TYR B 80 1.157 4.936 -2.641 1.00 3.41 H new ATOM 0 HA TYR B 80 4.015 5.118 -2.338 1.00 50.12 H new ATOM 0 HB2 TYR B 80 3.939 5.794 -0.017 1.00 21.01 H new ATOM 0 HB3 TYR B 80 3.652 7.057 -1.198 1.00 21.01 H new ATOM 0 HD1 TYR B 80 1.174 7.808 -1.550 1.00 5.22 H new ATOM 0 HD2 TYR B 80 2.479 5.561 1.838 1.00 61.13 H new ATOM 0 HE1 TYR B 80 -0.757 8.620 -0.263 1.00 51.54 H new ATOM 0 HE2 TYR B 80 0.526 6.361 3.112 1.00 10.30 H new ATOM 0 HH TYR B 80 -1.279 7.603 3.123 1.00 55.10 H new ATOM 3069 N ALA B 81 3.868 3.013 -1.069 1.00 54.33 N ATOM 3070 CA ALA B 81 3.787 1.632 -0.726 1.00 42.53 C ATOM 3071 C ALA B 81 4.737 1.304 0.389 1.00 64.25 C ATOM 3072 O ALA B 81 5.656 2.047 0.658 1.00 23.23 O ATOM 3073 CB ALA B 81 4.119 0.784 -1.953 1.00 34.34 C ATOM 0 H ALA B 81 4.816 3.390 -1.078 1.00 54.33 H new ATOM 0 HA ALA B 81 2.773 1.414 -0.390 1.00 42.53 H new ATOM 0 HB1 ALA B 81 4.058 -0.273 -1.692 1.00 34.34 H new ATOM 0 HB2 ALA B 81 3.408 1.003 -2.750 1.00 34.34 H new ATOM 0 HB3 ALA B 81 5.128 1.016 -2.293 1.00 34.34 H new ATOM 3079 N TYR B 82 4.485 0.226 1.050 1.00 64.22 N ATOM 3080 CA TYR B 82 5.356 -0.283 2.057 1.00 32.51 C ATOM 3081 C TYR B 82 5.739 -1.685 1.688 1.00 74.15 C ATOM 3082 O TYR B 82 4.872 -2.517 1.428 1.00 53.30 O ATOM 3083 CB TYR B 82 4.674 -0.309 3.420 1.00 52.40 C ATOM 3084 CG TYR B 82 4.180 1.021 3.925 1.00 73.40 C ATOM 3085 CD1 TYR B 82 5.065 2.039 4.252 1.00 21.03 C ATOM 3086 CD2 TYR B 82 2.830 1.238 4.128 1.00 43.14 C ATOM 3087 CE1 TYR B 82 4.608 3.245 4.772 1.00 22.12 C ATOM 3088 CE2 TYR B 82 2.364 2.431 4.629 1.00 30.43 C ATOM 3089 CZ TYR B 82 3.248 3.428 4.953 1.00 12.44 C ATOM 3090 OH TYR B 82 2.767 4.599 5.485 1.00 52.20 O ATOM 0 H TYR B 82 3.649 -0.340 0.903 1.00 64.22 H new ATOM 0 HA TYR B 82 6.230 0.365 2.121 1.00 32.51 H new ATOM 0 HB2 TYR B 82 3.829 -0.996 3.371 1.00 52.40 H new ATOM 0 HB3 TYR B 82 5.374 -0.717 4.149 1.00 52.40 H new ATOM 0 HD1 TYR B 82 6.124 1.892 4.100 1.00 21.03 H new ATOM 0 HD2 TYR B 82 2.127 0.454 3.888 1.00 43.14 H new ATOM 0 HE1 TYR B 82 5.305 4.028 5.031 1.00 22.12 H new ATOM 0 HE2 TYR B 82 1.304 2.582 4.767 1.00 30.43 H new ATOM 0 HH TYR B 82 1.789 4.556 5.540 1.00 52.20 H new ATOM 3100 N ILE B 83 7.002 -1.950 1.623 1.00 72.50 N ATOM 3101 CA ILE B 83 7.467 -3.278 1.335 1.00 5.41 C ATOM 3102 C ILE B 83 7.948 -3.869 2.651 1.00 41.24 C ATOM 3103 O ILE B 83 8.829 -3.301 3.297 1.00 52.30 O ATOM 3104 CB ILE B 83 8.646 -3.249 0.322 1.00 72.32 C ATOM 3105 CG1 ILE B 83 8.291 -2.454 -0.956 1.00 53.52 C ATOM 3106 CG2 ILE B 83 9.071 -4.655 -0.048 1.00 34.11 C ATOM 3107 CD1 ILE B 83 7.078 -2.954 -1.717 1.00 1.23 C ATOM 0 H ILE B 83 7.741 -1.262 1.766 1.00 72.50 H new ATOM 0 HA ILE B 83 6.666 -3.870 0.893 1.00 5.41 H new ATOM 0 HB ILE B 83 9.476 -2.741 0.814 1.00 72.32 H new ATOM 0 HG12 ILE B 83 8.122 -1.413 -0.681 1.00 53.52 H new ATOM 0 HG13 ILE B 83 9.151 -2.472 -1.625 1.00 53.52 H new ATOM 0 HG21 ILE B 83 9.897 -4.611 -0.758 1.00 34.11 H new ATOM 0 HG22 ILE B 83 9.391 -5.186 0.848 1.00 34.11 H new ATOM 0 HG23 ILE B 83 8.231 -5.182 -0.501 1.00 34.11 H new ATOM 0 HD11 ILE B 83 6.916 -2.328 -2.595 1.00 1.23 H new ATOM 0 HD12 ILE B 83 7.245 -3.984 -2.031 1.00 1.23 H new ATOM 0 HD13 ILE B 83 6.200 -2.909 -1.072 1.00 1.23 H new ATOM 3119 N GLU B 84 7.363 -4.959 3.066 1.00 12.31 N ATOM 3120 CA GLU B 84 7.692 -5.539 4.345 1.00 32.32 C ATOM 3121 C GLU B 84 8.513 -6.824 4.145 1.00 73.54 C ATOM 3122 O GLU B 84 8.041 -7.799 3.533 1.00 23.14 O ATOM 3123 CB GLU B 84 6.380 -5.772 5.118 1.00 10.14 C ATOM 3124 CG GLU B 84 5.521 -4.483 5.158 1.00 44.15 C ATOM 3125 CD GLU B 84 4.241 -4.566 5.957 1.00 3.55 C ATOM 3126 OE1 GLU B 84 3.286 -5.202 5.486 1.00 40.43 O ATOM 3127 OE2 GLU B 84 4.159 -3.920 7.046 1.00 71.40 O ATOM 0 H GLU B 84 6.654 -5.467 2.538 1.00 12.31 H new ATOM 0 HA GLU B 84 8.317 -4.869 4.935 1.00 32.32 H new ATOM 0 HB2 GLU B 84 5.814 -6.576 4.647 1.00 10.14 H new ATOM 0 HB3 GLU B 84 6.605 -6.095 6.135 1.00 10.14 H new ATOM 0 HG2 GLU B 84 6.130 -3.677 5.567 1.00 44.15 H new ATOM 0 HG3 GLU B 84 5.270 -4.205 4.134 1.00 44.15 H new ATOM 3134 N PHE B 85 9.730 -6.825 4.661 1.00 53.41 N ATOM 3135 CA PHE B 85 10.676 -7.917 4.441 1.00 63.32 C ATOM 3136 C PHE B 85 10.747 -8.883 5.607 1.00 40.12 C ATOM 3137 O PHE B 85 10.232 -8.622 6.694 1.00 2.22 O ATOM 3138 CB PHE B 85 12.088 -7.377 4.195 1.00 44.52 C ATOM 3139 CG PHE B 85 12.247 -6.484 3.006 1.00 44.45 C ATOM 3140 CD1 PHE B 85 12.437 -7.016 1.745 1.00 44.44 C ATOM 3141 CD2 PHE B 85 12.234 -5.109 3.153 1.00 2.30 C ATOM 3142 CE1 PHE B 85 12.605 -6.194 0.655 1.00 1.13 C ATOM 3143 CE2 PHE B 85 12.405 -4.284 2.067 1.00 35.32 C ATOM 3144 CZ PHE B 85 12.590 -4.825 0.819 1.00 21.22 C ATOM 0 H PHE B 85 10.095 -6.072 5.244 1.00 53.41 H new ATOM 0 HA PHE B 85 10.305 -8.450 3.566 1.00 63.32 H new ATOM 0 HB2 PHE B 85 12.406 -6.829 5.082 1.00 44.52 H new ATOM 0 HB3 PHE B 85 12.766 -8.223 4.083 1.00 44.52 H new ATOM 0 HD1 PHE B 85 12.454 -8.088 1.614 1.00 44.44 H new ATOM 0 HD2 PHE B 85 12.088 -4.678 4.133 1.00 2.30 H new ATOM 0 HE1 PHE B 85 12.748 -6.620 -0.327 1.00 1.13 H new ATOM 0 HE2 PHE B 85 12.394 -3.212 2.195 1.00 35.32 H new ATOM 0 HZ PHE B 85 12.724 -4.178 -0.035 1.00 21.22 H new ATOM 3154 N ALA B 86 11.373 -10.022 5.344 1.00 51.20 N ATOM 3155 CA ALA B 86 11.649 -11.024 6.349 1.00 43.04 C ATOM 3156 C ALA B 86 12.831 -10.630 7.212 1.00 52.33 C ATOM 3157 O ALA B 86 12.843 -10.899 8.399 1.00 2.15 O ATOM 3158 CB ALA B 86 11.902 -12.372 5.693 1.00 4.21 C ATOM 0 H ALA B 86 11.705 -10.274 4.413 1.00 51.20 H new ATOM 0 HA ALA B 86 10.774 -11.101 6.994 1.00 43.04 H new ATOM 0 HB1 ALA B 86 12.109 -13.117 6.461 1.00 4.21 H new ATOM 0 HB2 ALA B 86 11.021 -12.671 5.125 1.00 4.21 H new ATOM 0 HB3 ALA B 86 12.758 -12.295 5.022 1.00 4.21 H new ATOM 3164 N GLU B 87 13.826 -10.006 6.608 1.00 13.52 N ATOM 3165 CA GLU B 87 14.996 -9.574 7.335 1.00 1.21 C ATOM 3166 C GLU B 87 15.051 -8.075 7.478 1.00 1.31 C ATOM 3167 O GLU B 87 14.614 -7.337 6.600 1.00 20.54 O ATOM 3168 CB GLU B 87 16.276 -10.099 6.684 1.00 31.13 C ATOM 3169 CG GLU B 87 16.468 -11.592 6.839 1.00 61.14 C ATOM 3170 CD GLU B 87 16.540 -11.976 8.297 1.00 53.11 C ATOM 3171 OE1 GLU B 87 17.584 -11.730 8.927 1.00 52.52 O ATOM 3172 OE2 GLU B 87 15.552 -12.490 8.838 1.00 21.24 O ATOM 0 H GLU B 87 13.843 -9.788 5.612 1.00 13.52 H new ATOM 0 HA GLU B 87 14.920 -9.997 8.337 1.00 1.21 H new ATOM 0 HB2 GLU B 87 16.261 -9.852 5.623 1.00 31.13 H new ATOM 0 HB3 GLU B 87 17.132 -9.584 7.119 1.00 31.13 H new ATOM 0 HG2 GLU B 87 15.644 -12.121 6.360 1.00 61.14 H new ATOM 0 HG3 GLU B 87 17.382 -11.900 6.332 1.00 61.14 H new ATOM 3179 N ARG B 88 15.595 -7.624 8.592 1.00 4.11 N ATOM 3180 CA ARG B 88 15.743 -6.208 8.862 1.00 20.35 C ATOM 3181 C ARG B 88 16.890 -5.713 7.967 1.00 12.55 C ATOM 3182 O ARG B 88 16.913 -4.566 7.500 1.00 14.31 O ATOM 3183 CB ARG B 88 16.106 -6.021 10.354 1.00 13.33 C ATOM 3184 CG ARG B 88 15.602 -4.726 11.028 1.00 72.53 C ATOM 3185 CD ARG B 88 16.054 -3.438 10.355 1.00 10.01 C ATOM 3186 NE ARG B 88 17.511 -3.295 10.300 1.00 43.23 N ATOM 3187 CZ ARG B 88 18.152 -2.138 10.097 1.00 54.42 C ATOM 3188 NH1 ARG B 88 17.476 -0.984 10.080 1.00 41.22 N ATOM 3189 NH2 ARG B 88 19.465 -2.136 9.946 1.00 31.43 N ATOM 0 H ARG B 88 15.946 -8.229 9.334 1.00 4.11 H new ATOM 0 HA ARG B 88 14.828 -5.652 8.658 1.00 20.35 H new ATOM 0 HB2 ARG B 88 15.711 -6.871 10.910 1.00 13.33 H new ATOM 0 HB3 ARG B 88 17.191 -6.055 10.448 1.00 13.33 H new ATOM 0 HG2 ARG B 88 14.512 -4.745 11.050 1.00 72.53 H new ATOM 0 HG3 ARG B 88 15.941 -4.717 12.064 1.00 72.53 H new ATOM 0 HD2 ARG B 88 15.654 -3.406 9.342 1.00 10.01 H new ATOM 0 HD3 ARG B 88 15.632 -2.588 10.892 1.00 10.01 H new ATOM 0 HE ARG B 88 18.076 -4.135 10.425 1.00 43.23 H new ATOM 0 HH11 ARG B 88 16.466 -0.982 10.222 1.00 41.22 H new ATOM 0 HH12 ARG B 88 17.971 -0.106 9.925 1.00 41.22 H new ATOM 0 HH21 ARG B 88 19.984 -3.013 9.984 1.00 31.43 H new ATOM 0 HH22 ARG B 88 19.959 -1.257 9.791 1.00 31.43 H new ATOM 3203 N ASN B 89 17.816 -6.624 7.695 1.00 53.40 N ATOM 3204 CA ASN B 89 18.967 -6.335 6.844 1.00 24.42 C ATOM 3205 C ASN B 89 18.524 -6.022 5.439 1.00 55.24 C ATOM 3206 O ASN B 89 19.224 -5.334 4.694 1.00 34.24 O ATOM 3207 CB ASN B 89 19.980 -7.491 6.803 1.00 5.33 C ATOM 3208 CG ASN B 89 20.614 -7.822 8.147 1.00 71.14 C ATOM 3209 OD1 ASN B 89 19.979 -7.743 9.199 1.00 32.01 O ATOM 3210 ND2 ASN B 89 21.871 -8.142 8.129 1.00 33.35 N ATOM 0 H ASN B 89 17.793 -7.578 8.055 1.00 53.40 H new ATOM 0 HA ASN B 89 19.461 -5.469 7.284 1.00 24.42 H new ATOM 0 HB2 ASN B 89 19.481 -8.382 6.422 1.00 5.33 H new ATOM 0 HB3 ASN B 89 20.770 -7.241 6.095 1.00 5.33 H new ATOM 0 HD21 ASN B 89 22.360 -8.336 9.003 1.00 33.35 H new ATOM 0 HD22 ASN B 89 22.370 -8.199 7.241 1.00 33.35 H new ATOM 3217 N SER B 90 17.353 -6.512 5.069 1.00 31.22 N ATOM 3218 CA SER B 90 16.800 -6.282 3.776 1.00 51.31 C ATOM 3219 C SER B 90 16.419 -4.821 3.618 1.00 61.13 C ATOM 3220 O SER B 90 16.579 -4.250 2.538 1.00 41.24 O ATOM 3221 CB SER B 90 15.586 -7.175 3.585 1.00 43.53 C ATOM 3222 OG SER B 90 15.921 -8.534 3.833 1.00 62.34 O ATOM 0 H SER B 90 16.766 -7.085 5.675 1.00 31.22 H new ATOM 0 HA SER B 90 17.543 -6.521 3.015 1.00 51.31 H new ATOM 0 HB2 SER B 90 14.788 -6.863 4.259 1.00 43.53 H new ATOM 0 HB3 SER B 90 15.205 -7.068 2.569 1.00 43.53 H new ATOM 0 HG SER B 90 15.127 -9.095 3.707 1.00 62.34 H new ATOM 3228 N VAL B 91 15.927 -4.197 4.708 1.00 43.45 N ATOM 3229 CA VAL B 91 15.561 -2.790 4.629 1.00 35.41 C ATOM 3230 C VAL B 91 16.801 -1.994 4.364 1.00 74.35 C ATOM 3231 O VAL B 91 16.778 -1.067 3.577 1.00 63.31 O ATOM 3232 CB VAL B 91 14.804 -2.213 5.887 1.00 70.31 C ATOM 3233 CG1 VAL B 91 13.737 -3.138 6.354 1.00 12.03 C ATOM 3234 CG2 VAL B 91 15.699 -1.743 7.036 1.00 74.04 C ATOM 0 H VAL B 91 15.782 -4.636 5.617 1.00 43.45 H new ATOM 0 HA VAL B 91 14.839 -2.707 3.817 1.00 35.41 H new ATOM 0 HB VAL B 91 14.336 -1.297 5.527 1.00 70.31 H new ATOM 0 HG11 VAL B 91 13.237 -2.708 7.222 1.00 12.03 H new ATOM 0 HG12 VAL B 91 13.011 -3.289 5.555 1.00 12.03 H new ATOM 0 HG13 VAL B 91 14.180 -4.096 6.628 1.00 12.03 H new ATOM 0 HG21 VAL B 91 15.079 -1.365 7.849 1.00 74.04 H new ATOM 0 HG22 VAL B 91 16.299 -2.579 7.395 1.00 74.04 H new ATOM 0 HG23 VAL B 91 16.357 -0.949 6.683 1.00 74.04 H new ATOM 3244 N ASP B 92 17.907 -2.400 5.006 1.00 12.11 N ATOM 3245 CA ASP B 92 19.199 -1.739 4.822 1.00 1.43 C ATOM 3246 C ASP B 92 19.605 -1.749 3.341 1.00 24.51 C ATOM 3247 O ASP B 92 20.143 -0.773 2.818 1.00 11.14 O ATOM 3248 CB ASP B 92 20.271 -2.439 5.656 1.00 15.30 C ATOM 3249 CG ASP B 92 21.586 -1.671 5.687 1.00 22.35 C ATOM 3250 OD1 ASP B 92 21.734 -0.759 6.534 1.00 33.34 O ATOM 3251 OD2 ASP B 92 22.493 -1.965 4.884 1.00 21.30 O ATOM 0 H ASP B 92 17.928 -3.185 5.657 1.00 12.11 H new ATOM 0 HA ASP B 92 19.106 -0.705 5.153 1.00 1.43 H new ATOM 0 HB2 ASP B 92 19.906 -2.568 6.675 1.00 15.30 H new ATOM 0 HB3 ASP B 92 20.447 -3.436 5.252 1.00 15.30 H new ATOM 3256 N ALA B 93 19.321 -2.846 2.671 1.00 43.42 N ATOM 3257 CA ALA B 93 19.626 -2.984 1.259 1.00 74.33 C ATOM 3258 C ALA B 93 18.653 -2.163 0.394 1.00 70.43 C ATOM 3259 O ALA B 93 19.037 -1.605 -0.633 1.00 44.42 O ATOM 3260 CB ALA B 93 19.609 -4.451 0.860 1.00 4.22 C ATOM 0 H ALA B 93 18.875 -3.664 3.085 1.00 43.42 H new ATOM 0 HA ALA B 93 20.627 -2.589 1.085 1.00 74.33 H new ATOM 0 HB1 ALA B 93 19.839 -4.542 -0.202 1.00 4.22 H new ATOM 0 HB2 ALA B 93 20.354 -4.995 1.441 1.00 4.22 H new ATOM 0 HB3 ALA B 93 18.621 -4.869 1.054 1.00 4.22 H new ATOM 3266 N ALA B 94 17.399 -2.088 0.821 1.00 54.15 N ATOM 3267 CA ALA B 94 16.369 -1.367 0.076 1.00 20.24 C ATOM 3268 C ALA B 94 16.568 0.143 0.186 1.00 53.35 C ATOM 3269 O ALA B 94 16.495 0.862 -0.805 1.00 31.31 O ATOM 3270 CB ALA B 94 14.986 -1.765 0.572 1.00 45.24 C ATOM 0 H ALA B 94 17.067 -2.519 1.684 1.00 54.15 H new ATOM 0 HA ALA B 94 16.454 -1.638 -0.976 1.00 20.24 H new ATOM 0 HB1 ALA B 94 14.227 -1.221 0.009 1.00 45.24 H new ATOM 0 HB2 ALA B 94 14.844 -2.836 0.432 1.00 45.24 H new ATOM 0 HB3 ALA B 94 14.896 -1.523 1.631 1.00 45.24 H new ATOM 3276 N VAL B 95 16.830 0.604 1.401 1.00 11.54 N ATOM 3277 CA VAL B 95 17.083 2.025 1.687 1.00 2.12 C ATOM 3278 C VAL B 95 18.256 2.593 0.890 1.00 34.45 C ATOM 3279 O VAL B 95 18.362 3.789 0.720 1.00 24.05 O ATOM 3280 CB VAL B 95 17.250 2.341 3.192 1.00 63.13 C ATOM 3281 CG1 VAL B 95 16.023 1.921 3.968 1.00 34.34 C ATOM 3282 CG2 VAL B 95 18.491 1.703 3.761 1.00 70.33 C ATOM 0 H VAL B 95 16.875 0.006 2.226 1.00 11.54 H new ATOM 0 HA VAL B 95 16.175 2.528 1.355 1.00 2.12 H new ATOM 0 HB VAL B 95 17.365 3.421 3.290 1.00 63.13 H new ATOM 0 HG11 VAL B 95 16.163 2.153 5.024 1.00 34.34 H new ATOM 0 HG12 VAL B 95 15.153 2.458 3.591 1.00 34.34 H new ATOM 0 HG13 VAL B 95 15.867 0.849 3.850 1.00 34.34 H new ATOM 0 HG21 VAL B 95 18.573 1.948 4.820 1.00 70.33 H new ATOM 0 HG22 VAL B 95 18.431 0.621 3.642 1.00 70.33 H new ATOM 0 HG23 VAL B 95 19.368 2.078 3.233 1.00 70.33 H new ATOM 3292 N ALA B 96 19.151 1.729 0.415 1.00 52.54 N ATOM 3293 CA ALA B 96 20.278 2.167 -0.420 1.00 71.11 C ATOM 3294 C ALA B 96 19.772 2.712 -1.775 1.00 33.13 C ATOM 3295 O ALA B 96 20.492 3.388 -2.506 1.00 21.51 O ATOM 3296 CB ALA B 96 21.259 1.025 -0.631 1.00 51.42 C ATOM 0 H ALA B 96 19.122 0.725 0.591 1.00 52.54 H new ATOM 0 HA ALA B 96 20.798 2.973 0.098 1.00 71.11 H new ATOM 0 HB1 ALA B 96 22.087 1.367 -1.252 1.00 51.42 H new ATOM 0 HB2 ALA B 96 21.642 0.691 0.333 1.00 51.42 H new ATOM 0 HB3 ALA B 96 20.752 0.197 -1.126 1.00 51.42 H new ATOM 3302 N MET B 97 18.527 2.410 -2.079 1.00 74.24 N ATOM 3303 CA MET B 97 17.884 2.886 -3.290 1.00 10.11 C ATOM 3304 C MET B 97 16.938 4.030 -2.952 1.00 54.40 C ATOM 3305 O MET B 97 16.122 4.410 -3.784 1.00 24.13 O ATOM 3306 CB MET B 97 17.057 1.772 -3.962 1.00 44.22 C ATOM 3307 CG MET B 97 17.832 0.540 -4.396 1.00 2.41 C ATOM 3308 SD MET B 97 16.791 -0.658 -5.289 1.00 14.22 S ATOM 3309 CE MET B 97 15.539 -1.036 -4.060 1.00 14.21 C ATOM 0 H MET B 97 17.930 1.826 -1.493 1.00 74.24 H new ATOM 0 HA MET B 97 18.669 3.215 -3.971 1.00 10.11 H new ATOM 0 HB2 MET B 97 16.274 1.460 -3.271 1.00 44.22 H new ATOM 0 HB3 MET B 97 16.561 2.192 -4.837 1.00 44.22 H new ATOM 0 HG2 MET B 97 18.662 0.843 -5.035 1.00 2.41 H new ATOM 0 HG3 MET B 97 18.264 0.058 -3.519 1.00 2.41 H new ATOM 0 HE1 MET B 97 15.274 -2.091 -4.123 1.00 14.21 H new ATOM 0 HE2 MET B 97 15.928 -0.819 -3.065 1.00 14.21 H new ATOM 0 HE3 MET B 97 14.653 -0.428 -4.244 1.00 14.21 H new ATOM 3319 N ASP B 98 17.048 4.560 -1.707 1.00 13.03 N ATOM 3320 CA ASP B 98 16.154 5.630 -1.172 1.00 11.42 C ATOM 3321 C ASP B 98 15.720 6.665 -2.175 1.00 4.41 C ATOM 3322 O ASP B 98 14.571 7.047 -2.161 1.00 65.04 O ATOM 3323 CB ASP B 98 16.711 6.324 0.088 1.00 23.34 C ATOM 3324 CG ASP B 98 17.780 7.357 -0.167 1.00 13.40 C ATOM 3325 OD1 ASP B 98 18.948 6.988 -0.368 1.00 1.22 O ATOM 3326 OD2 ASP B 98 17.448 8.559 -0.154 1.00 32.24 O ATOM 0 H ASP B 98 17.760 4.259 -1.041 1.00 13.03 H new ATOM 0 HA ASP B 98 15.261 5.070 -0.896 1.00 11.42 H new ATOM 0 HB2 ASP B 98 15.885 6.802 0.615 1.00 23.34 H new ATOM 0 HB3 ASP B 98 17.116 5.562 0.754 1.00 23.34 H new ATOM 3331 N GLU B 99 16.594 7.152 -3.009 1.00 13.11 N ATOM 3332 CA GLU B 99 16.146 8.037 -4.026 1.00 32.11 C ATOM 3333 C GLU B 99 16.674 7.607 -5.409 1.00 22.03 C ATOM 3334 O GLU B 99 17.518 8.273 -6.033 1.00 3.01 O ATOM 3335 CB GLU B 99 16.448 9.494 -3.649 1.00 62.32 C ATOM 3336 CG GLU B 99 15.856 10.515 -4.576 1.00 73.43 C ATOM 3337 CD GLU B 99 16.043 11.910 -4.089 1.00 2.14 C ATOM 3338 OE1 GLU B 99 17.130 12.486 -4.303 1.00 11.44 O ATOM 3339 OE2 GLU B 99 15.099 12.460 -3.477 1.00 4.32 O ATOM 0 H GLU B 99 17.594 6.954 -3.001 1.00 13.11 H new ATOM 0 HA GLU B 99 15.061 7.977 -4.108 1.00 32.11 H new ATOM 0 HB2 GLU B 99 16.077 9.679 -2.641 1.00 62.32 H new ATOM 0 HB3 GLU B 99 17.529 9.632 -3.621 1.00 62.32 H new ATOM 0 HG2 GLU B 99 16.313 10.414 -5.561 1.00 73.43 H new ATOM 0 HG3 GLU B 99 14.791 10.316 -4.697 1.00 73.43 H new ATOM 3346 N THR B 100 16.260 6.409 -5.793 1.00 22.33 N ATOM 3347 CA THR B 100 16.555 5.833 -7.093 1.00 33.04 C ATOM 3348 C THR B 100 15.452 6.218 -8.104 1.00 14.44 C ATOM 3349 O THR B 100 14.425 6.799 -7.730 1.00 34.24 O ATOM 3350 CB THR B 100 16.674 4.265 -7.001 1.00 51.24 C ATOM 3351 OG1 THR B 100 17.154 3.714 -8.240 1.00 63.31 O ATOM 3352 CG2 THR B 100 15.322 3.630 -6.686 1.00 74.40 C ATOM 0 H THR B 100 15.699 5.800 -5.197 1.00 22.33 H new ATOM 0 HA THR B 100 17.511 6.230 -7.433 1.00 33.04 H new ATOM 0 HB THR B 100 17.379 4.044 -6.200 1.00 51.24 H new ATOM 0 HG1 THR B 100 17.222 2.740 -8.160 1.00 63.31 H new ATOM 0 HG21 THR B 100 15.433 2.547 -6.628 1.00 74.40 H new ATOM 0 HG22 THR B 100 14.956 4.009 -5.732 1.00 74.40 H new ATOM 0 HG23 THR B 100 14.610 3.880 -7.473 1.00 74.40 H new ATOM 3360 N VAL B 101 15.654 5.869 -9.352 1.00 34.24 N ATOM 3361 CA VAL B 101 14.718 6.185 -10.401 1.00 45.42 C ATOM 3362 C VAL B 101 13.997 4.910 -10.857 1.00 43.51 C ATOM 3363 O VAL B 101 14.623 3.890 -11.143 1.00 23.03 O ATOM 3364 CB VAL B 101 15.415 6.913 -11.600 1.00 24.55 C ATOM 3365 CG1 VAL B 101 16.558 6.089 -12.163 1.00 4.51 C ATOM 3366 CG2 VAL B 101 14.411 7.272 -12.696 1.00 3.35 C ATOM 0 H VAL B 101 16.476 5.355 -9.669 1.00 34.24 H new ATOM 0 HA VAL B 101 13.977 6.879 -10.004 1.00 45.42 H new ATOM 0 HB VAL B 101 15.834 7.842 -11.213 1.00 24.55 H new ATOM 0 HG11 VAL B 101 17.018 6.625 -12.993 1.00 4.51 H new ATOM 0 HG12 VAL B 101 17.301 5.918 -11.384 1.00 4.51 H new ATOM 0 HG13 VAL B 101 16.176 5.131 -12.516 1.00 4.51 H new ATOM 0 HG21 VAL B 101 14.928 7.776 -13.513 1.00 3.35 H new ATOM 0 HG22 VAL B 101 13.941 6.363 -13.071 1.00 3.35 H new ATOM 0 HG23 VAL B 101 13.647 7.934 -12.287 1.00 3.35 H new ATOM 3376 N PHE B 102 12.701 4.969 -10.892 1.00 74.52 N ATOM 3377 CA PHE B 102 11.887 3.845 -11.253 1.00 5.24 C ATOM 3378 C PHE B 102 10.737 4.363 -12.107 1.00 63.54 C ATOM 3379 O PHE B 102 10.041 5.286 -11.701 1.00 52.35 O ATOM 3380 CB PHE B 102 11.381 3.188 -9.954 1.00 52.20 C ATOM 3381 CG PHE B 102 10.657 1.883 -10.108 1.00 44.34 C ATOM 3382 CD1 PHE B 102 11.363 0.713 -10.329 1.00 71.15 C ATOM 3383 CD2 PHE B 102 9.278 1.817 -10.009 1.00 41.44 C ATOM 3384 CE1 PHE B 102 10.710 -0.497 -10.452 1.00 3.01 C ATOM 3385 CE2 PHE B 102 8.620 0.611 -10.128 1.00 43.21 C ATOM 3386 CZ PHE B 102 9.337 -0.549 -10.351 1.00 32.11 C ATOM 0 H PHE B 102 12.170 5.810 -10.668 1.00 74.52 H new ATOM 0 HA PHE B 102 12.439 3.099 -11.824 1.00 5.24 H new ATOM 0 HB2 PHE B 102 12.235 3.030 -9.295 1.00 52.20 H new ATOM 0 HB3 PHE B 102 10.717 3.891 -9.451 1.00 52.20 H new ATOM 0 HD1 PHE B 102 12.440 0.747 -10.406 1.00 71.15 H new ATOM 0 HD2 PHE B 102 8.711 2.720 -9.837 1.00 41.44 H new ATOM 0 HE1 PHE B 102 11.274 -1.401 -10.627 1.00 3.01 H new ATOM 0 HE2 PHE B 102 7.544 0.573 -10.047 1.00 43.21 H new ATOM 0 HZ PHE B 102 8.822 -1.494 -10.446 1.00 32.11 H new ATOM 3396 N ARG B 103 10.562 3.785 -13.299 1.00 32.44 N ATOM 3397 CA ARG B 103 9.537 4.215 -14.275 1.00 32.34 C ATOM 3398 C ARG B 103 9.517 5.708 -14.576 1.00 25.44 C ATOM 3399 O ARG B 103 8.512 6.400 -14.370 1.00 73.34 O ATOM 3400 CB ARG B 103 8.133 3.603 -14.098 1.00 60.22 C ATOM 3401 CG ARG B 103 7.471 3.829 -12.757 1.00 24.13 C ATOM 3402 CD ARG B 103 6.099 3.206 -12.741 1.00 41.21 C ATOM 3403 NE ARG B 103 5.166 3.866 -13.659 1.00 13.10 N ATOM 3404 CZ ARG B 103 4.562 3.290 -14.695 1.00 11.10 C ATOM 3405 NH1 ARG B 103 4.930 2.084 -15.112 1.00 51.31 N ATOM 3406 NH2 ARG B 103 3.610 3.948 -15.330 1.00 73.31 N ATOM 0 H ARG B 103 11.127 3.000 -13.623 1.00 32.44 H new ATOM 0 HA ARG B 103 9.903 3.751 -15.191 1.00 32.34 H new ATOM 0 HB2 ARG B 103 7.483 4.007 -14.874 1.00 60.22 H new ATOM 0 HB3 ARG B 103 8.203 2.529 -14.269 1.00 60.22 H new ATOM 0 HG2 ARG B 103 8.083 3.398 -11.964 1.00 24.13 H new ATOM 0 HG3 ARG B 103 7.395 4.898 -12.556 1.00 24.13 H new ATOM 0 HD2 ARG B 103 6.180 2.152 -13.008 1.00 41.21 H new ATOM 0 HD3 ARG B 103 5.697 3.249 -11.729 1.00 41.21 H new ATOM 0 HE ARG B 103 4.963 4.851 -13.489 1.00 13.10 H new ATOM 0 HH11 ARG B 103 5.684 1.588 -14.637 1.00 51.31 H new ATOM 0 HH12 ARG B 103 4.459 1.654 -15.908 1.00 51.31 H new ATOM 0 HH21 ARG B 103 3.347 4.885 -15.025 1.00 73.31 H new ATOM 0 HH22 ARG B 103 3.138 3.520 -16.126 1.00 73.31 H new ATOM 3420 N GLY B 104 10.670 6.202 -14.980 1.00 62.34 N ATOM 3421 CA GLY B 104 10.825 7.597 -15.374 1.00 74.43 C ATOM 3422 C GLY B 104 10.750 8.612 -14.238 1.00 43.30 C ATOM 3423 O GLY B 104 10.956 9.805 -14.461 1.00 14.04 O ATOM 0 H GLY B 104 11.527 5.653 -15.046 1.00 62.34 H new ATOM 0 HA2 GLY B 104 11.786 7.710 -15.876 1.00 74.43 H new ATOM 0 HA3 GLY B 104 10.053 7.838 -16.105 1.00 74.43 H new ATOM 3427 N ARG B 105 10.469 8.169 -13.038 1.00 72.55 N ATOM 3428 CA ARG B 105 10.370 9.075 -11.921 1.00 34.40 C ATOM 3429 C ARG B 105 11.238 8.613 -10.785 1.00 45.33 C ATOM 3430 O ARG B 105 11.646 7.459 -10.738 1.00 14.40 O ATOM 3431 CB ARG B 105 8.917 9.256 -11.460 1.00 44.40 C ATOM 3432 CG ARG B 105 8.217 7.978 -11.035 1.00 40.51 C ATOM 3433 CD ARG B 105 6.816 8.269 -10.539 1.00 33.32 C ATOM 3434 NE ARG B 105 5.990 8.930 -11.556 1.00 14.40 N ATOM 3435 CZ ARG B 105 4.789 9.479 -11.330 1.00 42.32 C ATOM 3436 NH1 ARG B 105 4.261 9.466 -10.102 1.00 44.10 N ATOM 3437 NH2 ARG B 105 4.122 10.040 -12.340 1.00 63.25 N ATOM 0 H ARG B 105 10.305 7.188 -12.810 1.00 72.55 H new ATOM 0 HA ARG B 105 10.727 10.049 -12.256 1.00 34.40 H new ATOM 0 HB2 ARG B 105 8.901 9.957 -10.625 1.00 44.40 H new ATOM 0 HB3 ARG B 105 8.348 9.712 -12.270 1.00 44.40 H new ATOM 0 HG2 ARG B 105 8.173 7.286 -11.876 1.00 40.51 H new ATOM 0 HG3 ARG B 105 8.791 7.488 -10.249 1.00 40.51 H new ATOM 0 HD2 ARG B 105 6.339 7.337 -10.237 1.00 33.32 H new ATOM 0 HD3 ARG B 105 6.871 8.901 -9.652 1.00 33.32 H new ATOM 0 HE ARG B 105 6.358 8.975 -12.506 1.00 14.40 H new ATOM 0 HH11 ARG B 105 4.773 9.037 -9.331 1.00 44.10 H new ATOM 0 HH12 ARG B 105 3.346 9.885 -9.936 1.00 44.10 H new ATOM 0 HH21 ARG B 105 4.527 10.049 -13.276 1.00 63.25 H new ATOM 0 HH22 ARG B 105 3.207 10.460 -12.176 1.00 63.25 H new ATOM 3451 N THR B 106 11.519 9.494 -9.893 1.00 14.34 N ATOM 3452 CA THR B 106 12.357 9.187 -8.784 1.00 34.31 C ATOM 3453 C THR B 106 11.492 8.808 -7.578 1.00 3.01 C ATOM 3454 O THR B 106 10.561 9.533 -7.224 1.00 31.54 O ATOM 3455 CB THR B 106 13.233 10.399 -8.458 1.00 61.04 C ATOM 3456 OG1 THR B 106 13.933 10.800 -9.648 1.00 62.12 O ATOM 3457 CG2 THR B 106 14.247 10.050 -7.406 1.00 22.13 C ATOM 0 H THR B 106 11.174 10.454 -9.909 1.00 14.34 H new ATOM 0 HA THR B 106 13.002 8.343 -9.030 1.00 34.31 H new ATOM 0 HB THR B 106 12.596 11.204 -8.090 1.00 61.04 H new ATOM 0 HG1 THR B 106 14.496 11.577 -9.450 1.00 62.12 H new ATOM 0 HG21 THR B 106 14.860 10.924 -7.188 1.00 22.13 H new ATOM 0 HG22 THR B 106 13.735 9.730 -6.499 1.00 22.13 H new ATOM 0 HG23 THR B 106 14.883 9.242 -7.767 1.00 22.13 H new ATOM 3465 N ILE B 107 11.778 7.683 -6.976 1.00 54.12 N ATOM 3466 CA ILE B 107 11.003 7.230 -5.826 1.00 23.10 C ATOM 3467 C ILE B 107 11.753 7.483 -4.527 1.00 21.24 C ATOM 3468 O ILE B 107 12.911 7.900 -4.547 1.00 25.00 O ATOM 3469 CB ILE B 107 10.619 5.728 -5.934 1.00 1.43 C ATOM 3470 CG1 ILE B 107 11.875 4.840 -6.005 1.00 33.21 C ATOM 3471 CG2 ILE B 107 9.719 5.499 -7.156 1.00 32.31 C ATOM 3472 CD1 ILE B 107 11.580 3.352 -6.052 1.00 33.11 C ATOM 0 H ILE B 107 12.536 7.059 -7.253 1.00 54.12 H new ATOM 0 HA ILE B 107 10.081 7.811 -5.821 1.00 23.10 H new ATOM 0 HB ILE B 107 10.066 5.449 -5.037 1.00 1.43 H new ATOM 0 HG12 ILE B 107 12.451 5.113 -6.889 1.00 33.21 H new ATOM 0 HG13 ILE B 107 12.503 5.048 -5.139 1.00 33.21 H new ATOM 0 HG21 ILE B 107 9.456 4.443 -7.222 1.00 32.31 H new ATOM 0 HG22 ILE B 107 8.811 6.093 -7.056 1.00 32.31 H new ATOM 0 HG23 ILE B 107 10.250 5.798 -8.060 1.00 32.31 H new ATOM 0 HD11 ILE B 107 12.517 2.797 -6.101 1.00 33.11 H new ATOM 0 HD12 ILE B 107 11.032 3.061 -5.156 1.00 33.11 H new ATOM 0 HD13 ILE B 107 10.979 3.128 -6.933 1.00 33.11 H new ATOM 3484 N LYS B 108 11.083 7.271 -3.405 1.00 54.13 N ATOM 3485 CA LYS B 108 11.671 7.544 -2.111 1.00 3.55 C ATOM 3486 C LYS B 108 11.467 6.340 -1.198 1.00 1.44 C ATOM 3487 O LYS B 108 10.351 5.879 -1.043 1.00 33.41 O ATOM 3488 CB LYS B 108 11.031 8.811 -1.518 1.00 0.43 C ATOM 3489 CG LYS B 108 11.697 9.354 -0.276 1.00 31.22 C ATOM 3490 CD LYS B 108 13.192 9.544 -0.449 1.00 64.40 C ATOM 3491 CE LYS B 108 13.839 9.872 0.873 1.00 13.31 C ATOM 3492 NZ LYS B 108 15.306 10.008 0.757 1.00 73.33 N ATOM 0 H LYS B 108 10.130 6.910 -3.369 1.00 54.13 H new ATOM 0 HA LYS B 108 12.742 7.717 -2.212 1.00 3.55 H new ATOM 0 HB2 LYS B 108 11.034 9.590 -2.281 1.00 0.43 H new ATOM 0 HB3 LYS B 108 9.988 8.596 -1.286 1.00 0.43 H new ATOM 0 HG2 LYS B 108 11.242 10.309 -0.012 1.00 31.22 H new ATOM 0 HG3 LYS B 108 11.515 8.674 0.556 1.00 31.22 H new ATOM 0 HD2 LYS B 108 13.634 8.638 -0.862 1.00 64.40 H new ATOM 0 HD3 LYS B 108 13.383 10.346 -1.163 1.00 64.40 H new ATOM 0 HE2 LYS B 108 13.419 10.800 1.261 1.00 13.31 H new ATOM 0 HE3 LYS B 108 13.604 9.090 1.595 1.00 13.31 H new ATOM 0 HZ1 LYS B 108 15.717 10.149 1.702 1.00 73.33 H new ATOM 0 HZ2 LYS B 108 15.702 9.145 0.332 1.00 73.33 H new ATOM 0 HZ3 LYS B 108 15.532 10.825 0.155 1.00 73.33 H new ATOM 3506 N VAL B 109 12.535 5.836 -0.612 1.00 72.14 N ATOM 3507 CA VAL B 109 12.459 4.648 0.222 1.00 25.13 C ATOM 3508 C VAL B 109 13.096 4.952 1.593 1.00 5.35 C ATOM 3509 O VAL B 109 14.182 5.524 1.654 1.00 54.52 O ATOM 3510 CB VAL B 109 13.230 3.425 -0.423 1.00 31.04 C ATOM 3511 CG1 VAL B 109 12.963 2.123 0.328 1.00 31.25 C ATOM 3512 CG2 VAL B 109 12.881 3.258 -1.895 1.00 41.21 C ATOM 0 H VAL B 109 13.471 6.232 -0.697 1.00 72.14 H new ATOM 0 HA VAL B 109 11.407 4.381 0.324 1.00 25.13 H new ATOM 0 HB VAL B 109 14.293 3.652 -0.342 1.00 31.04 H new ATOM 0 HG11 VAL B 109 13.511 1.310 -0.148 1.00 31.25 H new ATOM 0 HG12 VAL B 109 13.291 2.226 1.362 1.00 31.25 H new ATOM 0 HG13 VAL B 109 11.896 1.903 0.306 1.00 31.25 H new ATOM 0 HG21 VAL B 109 13.429 2.409 -2.305 1.00 41.21 H new ATOM 0 HG22 VAL B 109 11.810 3.083 -1.997 1.00 41.21 H new ATOM 0 HG23 VAL B 109 13.154 4.162 -2.439 1.00 41.21 H new ATOM 3522 N LEU B 110 12.424 4.614 2.675 1.00 5.20 N ATOM 3523 CA LEU B 110 13.036 4.720 4.004 1.00 34.04 C ATOM 3524 C LEU B 110 12.662 3.454 4.720 1.00 31.11 C ATOM 3525 O LEU B 110 11.793 2.745 4.249 1.00 55.05 O ATOM 3526 CB LEU B 110 12.479 5.794 4.956 1.00 71.13 C ATOM 3527 CG LEU B 110 12.099 7.178 4.599 1.00 14.43 C ATOM 3528 CD1 LEU B 110 10.832 7.184 3.778 1.00 41.30 C ATOM 3529 CD2 LEU B 110 11.877 7.837 5.944 1.00 70.34 C ATOM 0 H LEU B 110 11.465 4.267 2.672 1.00 5.20 H new ATOM 0 HA LEU B 110 14.085 4.942 3.811 1.00 34.04 H new ATOM 0 HB2 LEU B 110 11.588 5.353 5.403 1.00 71.13 H new ATOM 0 HB3 LEU B 110 13.219 5.891 5.750 1.00 71.13 H new ATOM 0 HG LEU B 110 12.849 7.689 3.996 1.00 14.43 H new ATOM 0 HD11 LEU B 110 10.568 8.211 3.525 1.00 41.30 H new ATOM 0 HD12 LEU B 110 10.989 6.613 2.863 1.00 41.30 H new ATOM 0 HD13 LEU B 110 10.024 6.733 4.353 1.00 41.30 H new ATOM 0 HD21 LEU B 110 11.588 8.878 5.796 1.00 70.34 H new ATOM 0 HD22 LEU B 110 11.085 7.313 6.480 1.00 70.34 H new ATOM 0 HD23 LEU B 110 12.798 7.795 6.526 1.00 70.34 H new ATOM 3541 N PRO B 111 13.268 3.148 5.880 1.00 60.22 N ATOM 3542 CA PRO B 111 12.815 2.040 6.699 1.00 53.24 C ATOM 3543 C PRO B 111 11.535 2.437 7.455 1.00 51.43 C ATOM 3544 O PRO B 111 11.326 3.620 7.789 1.00 20.44 O ATOM 3545 CB PRO B 111 13.970 1.861 7.685 1.00 1.02 C ATOM 3546 CG PRO B 111 14.512 3.224 7.832 1.00 1.14 C ATOM 3547 CD PRO B 111 14.452 3.820 6.483 1.00 62.31 C ATOM 0 HA PRO B 111 12.580 1.140 6.131 1.00 53.24 H new ATOM 0 HB2 PRO B 111 13.625 1.461 8.639 1.00 1.02 H new ATOM 0 HB3 PRO B 111 14.721 1.170 7.302 1.00 1.02 H new ATOM 0 HG2 PRO B 111 13.926 3.805 8.544 1.00 1.14 H new ATOM 0 HG3 PRO B 111 15.536 3.201 8.206 1.00 1.14 H new ATOM 0 HD2 PRO B 111 14.326 4.902 6.524 1.00 62.31 H new ATOM 0 HD3 PRO B 111 15.361 3.626 5.914 1.00 62.31 H new ATOM 3555 N LYS B 112 10.694 1.487 7.698 1.00 63.53 N ATOM 3556 CA LYS B 112 9.473 1.712 8.433 1.00 54.32 C ATOM 3557 C LYS B 112 9.813 1.487 9.903 1.00 44.02 C ATOM 3558 O LYS B 112 10.361 0.438 10.250 1.00 11.24 O ATOM 3559 CB LYS B 112 8.447 0.675 7.975 1.00 12.21 C ATOM 3560 CG LYS B 112 7.017 0.817 8.500 1.00 21.30 C ATOM 3561 CD LYS B 112 6.268 -0.491 8.255 1.00 33.04 C ATOM 3562 CE LYS B 112 4.805 -0.450 8.630 1.00 22.41 C ATOM 3563 NZ LYS B 112 4.228 -1.835 8.668 1.00 14.20 N ATOM 0 H LYS B 112 10.827 0.522 7.394 1.00 63.53 H new ATOM 0 HA LYS B 112 9.068 2.711 8.276 1.00 54.32 H new ATOM 0 HB2 LYS B 112 8.409 0.697 6.886 1.00 12.21 H new ATOM 0 HB3 LYS B 112 8.814 -0.311 8.261 1.00 12.21 H new ATOM 0 HG2 LYS B 112 7.028 1.052 9.564 1.00 21.30 H new ATOM 0 HG3 LYS B 112 6.511 1.641 7.997 1.00 21.30 H new ATOM 0 HD2 LYS B 112 6.353 -0.753 7.200 1.00 33.04 H new ATOM 0 HD3 LYS B 112 6.754 -1.286 8.821 1.00 33.04 H new ATOM 0 HE2 LYS B 112 4.687 0.025 9.604 1.00 22.41 H new ATOM 0 HE3 LYS B 112 4.257 0.158 7.910 1.00 22.41 H new ATOM 0 HZ1 LYS B 112 3.204 -1.780 8.844 1.00 14.20 H new ATOM 0 HZ2 LYS B 112 4.398 -2.307 7.757 1.00 14.20 H new ATOM 0 HZ3 LYS B 112 4.681 -2.379 9.430 1.00 14.20 H new