USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 HIS : no HD1:sc= 0.242 K(o=1.6,f=-1.8) USER MOD Set 1.2: A 119 CYS SG : rot 58:sc= 0.568 USER MOD Set 1.3: A 121 ASN : amide:sc= 0.783 K(o=1.6,f=-2.3!) USER MOD Set 2.1: A 40 CYS SG : rot 165:sc= -0.45! USER MOD Set 2.2: A 43 CYS SG : rot -29:sc= -2.49! USER MOD Set 2.3: A 45 SER OG : rot 180:sc= 0.207 USER MOD Set 2.4: A 96 CYS SG : rot -148:sc= -3.2! USER MOD Set 2.5: A 98 GLN : amide:sc= 1.17 K(o=-7.7,f=-11) USER MOD Set 2.6: A 99 CYS SG : rot -42:sc= -2.97! USER MOD Single : A 35 THR OG1 : rot 23:sc= 0.139 USER MOD Single : A 37 MET CE :methyl 172:sc= 0 (180deg=-0.107) USER MOD Single : A 38 TYR OH : rot 15:sc=-0.00759 USER MOD Single : A 39 HIS : no HE2:sc= 0.433 K(o=0.43,f=-2.2!) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.385 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.19) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0.765 (180deg=0.721) USER MOD Single : A 54 TYR OH : rot -165:sc= 0.673 USER MOD Single : A 62 SER OG : rot -170:sc= 0 USER MOD Single : A 64 SER OG : rot -75:sc= 0.19 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -25:sc= 0.103 USER MOD Single : A 89 CYS SG : rot 180:sc= -0.463 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.69) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 116 GLN : amide:sc= 0.567 K(o=0.57,f=-0.97) USER MOD Single : A 122 SER OG : rot -108:sc= 0.854 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -110:sc= 1.34 (180deg=-0.026) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 45.694 44.657 47.261 1.00 0.00 N ATOM 559 CA THR A 35 45.509 43.363 47.926 1.00 0.00 C ATOM 560 C THR A 35 45.421 42.284 46.851 1.00 0.00 C ATOM 561 O THR A 35 44.919 42.547 45.758 1.00 0.00 O ATOM 562 CB THR A 35 44.212 43.326 48.751 1.00 0.00 C ATOM 563 OG1 THR A 35 44.063 44.464 49.570 1.00 0.00 O ATOM 564 CG2 THR A 35 44.132 42.124 49.682 1.00 0.00 C ATOM 0 HA THR A 35 46.350 43.199 48.600 1.00 0.00 H new ATOM 0 HB THR A 35 43.425 43.278 47.998 1.00 0.00 H new ATOM 0 HG1 THR A 35 44.595 45.202 49.205 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.194 42.155 50.236 1.00 0.00 H new ATOM 0 HG22 THR A 35 44.177 41.206 49.096 1.00 0.00 H new ATOM 0 HG23 THR A 35 44.968 42.149 50.381 1.00 0.00 H new ATOM 572 N GLY A 36 45.815 41.057 47.175 1.00 0.00 N ATOM 573 CA GLY A 36 45.731 39.920 46.239 1.00 0.00 C ATOM 574 C GLY A 36 46.410 38.622 46.687 1.00 0.00 C ATOM 575 O GLY A 36 46.561 38.380 47.885 1.00 0.00 O ATOM 0 H GLY A 36 46.201 40.814 48.087 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.678 39.708 46.051 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.169 40.226 45.289 1.00 0.00 H new ATOM 579 N MET A 37 46.850 37.801 45.727 1.00 0.00 N ATOM 580 CA MET A 37 47.571 36.539 45.937 1.00 0.00 C ATOM 581 C MET A 37 48.447 36.140 44.737 1.00 0.00 C ATOM 582 O MET A 37 48.368 36.729 43.653 1.00 0.00 O ATOM 583 CB MET A 37 46.561 35.411 46.220 1.00 0.00 C ATOM 584 CG MET A 37 45.590 35.195 45.053 1.00 0.00 C ATOM 585 SD MET A 37 44.844 33.549 44.953 1.00 0.00 S ATOM 586 CE MET A 37 44.219 33.354 46.643 1.00 0.00 C ATOM 0 H MET A 37 46.707 38.007 44.738 1.00 0.00 H new ATOM 0 HA MET A 37 48.235 36.691 46.788 1.00 0.00 H new ATOM 0 HB2 MET A 37 47.100 34.485 46.418 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.996 35.650 47.121 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.791 35.933 45.127 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.120 35.392 44.121 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.609 32.452 46.704 1.00 0.00 H new ATOM 0 HE2 MET A 37 45.058 33.272 47.334 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.613 34.220 46.909 1.00 0.00 H new ATOM 596 N TYR A 38 49.205 35.063 44.927 1.00 0.00 N ATOM 597 CA TYR A 38 49.847 34.276 43.877 1.00 0.00 C ATOM 598 C TYR A 38 49.602 32.761 44.045 1.00 0.00 C ATOM 599 O TYR A 38 49.463 32.243 45.159 1.00 0.00 O ATOM 600 CB TYR A 38 51.329 34.676 43.731 1.00 0.00 C ATOM 601 CG TYR A 38 52.369 33.672 44.187 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.660 32.549 43.388 1.00 0.00 C ATOM 603 CD2 TYR A 38 53.068 33.875 45.388 1.00 0.00 C ATOM 604 CE1 TYR A 38 53.557 31.568 43.845 1.00 0.00 C ATOM 605 CE2 TYR A 38 54.020 32.930 45.816 1.00 0.00 C ATOM 606 CZ TYR A 38 54.231 31.752 45.070 1.00 0.00 C ATOM 607 OH TYR A 38 55.068 30.796 45.541 1.00 0.00 O ATOM 0 H TYR A 38 49.397 34.698 45.860 1.00 0.00 H new ATOM 0 HA TYR A 38 49.375 34.514 42.924 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.516 34.901 42.681 1.00 0.00 H new ATOM 0 HB3 TYR A 38 51.485 35.600 44.288 1.00 0.00 H new ATOM 0 HD1 TYR A 38 52.192 32.441 42.421 1.00 0.00 H new ATOM 0 HD2 TYR A 38 52.875 34.756 45.983 1.00 0.00 H new ATOM 0 HE1 TYR A 38 53.729 30.677 43.260 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.589 33.107 46.717 1.00 0.00 H new ATOM 0 HH TYR A 38 55.280 30.164 44.823 1.00 0.00 H new ATOM 617 N HIS A 39 49.542 32.062 42.908 1.00 0.00 N ATOM 618 CA HIS A 39 49.354 30.620 42.776 1.00 0.00 C ATOM 619 C HIS A 39 50.288 30.017 41.706 1.00 0.00 C ATOM 620 O HIS A 39 50.943 30.742 40.952 1.00 0.00 O ATOM 621 CB HIS A 39 47.877 30.331 42.446 1.00 0.00 C ATOM 622 CG HIS A 39 47.413 30.739 41.066 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.555 30.003 39.913 1.00 0.00 N ATOM 624 CD2 HIS A 39 46.673 31.844 40.742 1.00 0.00 C ATOM 625 CE1 HIS A 39 46.922 30.645 38.922 1.00 0.00 C ATOM 626 NE2 HIS A 39 46.370 31.787 39.374 1.00 0.00 N ATOM 0 H HIS A 39 49.629 32.519 42.000 1.00 0.00 H new ATOM 0 HA HIS A 39 49.614 30.146 43.723 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.701 29.262 42.565 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.255 30.840 43.182 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.057 29.119 39.827 1.00 0.00 H new ATOM 0 HD2 HIS A 39 46.374 32.626 41.424 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.863 30.295 37.902 1.00 0.00 H new ATOM 634 N CYS A 40 50.377 28.692 41.633 1.00 0.00 N ATOM 635 CA CYS A 40 51.251 28.003 40.709 1.00 0.00 C ATOM 636 C CYS A 40 50.736 27.983 39.249 1.00 0.00 C ATOM 637 O CYS A 40 49.576 28.253 38.927 1.00 0.00 O ATOM 638 CB CYS A 40 51.439 26.598 41.287 1.00 0.00 C ATOM 639 SG CYS A 40 53.094 25.923 40.962 1.00 0.00 S ATOM 0 H CYS A 40 49.833 28.064 42.225 1.00 0.00 H new ATOM 0 HA CYS A 40 52.200 28.533 40.623 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.267 26.626 42.363 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.689 25.931 40.862 1.00 0.00 H new ATOM 0 HG CYS A 40 53.303 24.896 41.731 1.00 0.00 H new ATOM 644 N VAL A 41 51.655 27.569 38.387 1.00 0.00 N ATOM 645 CA VAL A 41 51.443 27.129 36.997 1.00 0.00 C ATOM 646 C VAL A 41 52.409 25.980 36.614 1.00 0.00 C ATOM 647 O VAL A 41 52.777 25.789 35.453 1.00 0.00 O ATOM 648 CB VAL A 41 51.463 28.352 36.069 1.00 0.00 C ATOM 649 CG1 VAL A 41 52.861 28.854 35.708 1.00 0.00 C ATOM 650 CG2 VAL A 41 50.655 28.134 34.784 1.00 0.00 C ATOM 0 H VAL A 41 52.640 27.525 38.650 1.00 0.00 H new ATOM 0 HA VAL A 41 50.456 26.682 36.881 1.00 0.00 H new ATOM 0 HB VAL A 41 50.986 29.129 36.667 1.00 0.00 H new ATOM 0 HG11 VAL A 41 52.778 29.719 35.050 1.00 0.00 H new ATOM 0 HG12 VAL A 41 53.391 29.139 36.617 1.00 0.00 H new ATOM 0 HG13 VAL A 41 53.412 28.063 35.199 1.00 0.00 H new ATOM 0 HG21 VAL A 41 50.705 29.031 34.166 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.069 27.290 34.232 1.00 0.00 H new ATOM 0 HG23 VAL A 41 49.616 27.926 35.039 1.00 0.00 H new ATOM 660 N CYS A 42 52.843 25.223 37.630 1.00 0.00 N ATOM 661 CA CYS A 42 53.618 23.993 37.500 1.00 0.00 C ATOM 662 C CYS A 42 52.937 22.825 38.247 1.00 0.00 C ATOM 663 O CYS A 42 52.820 21.728 37.693 1.00 0.00 O ATOM 664 CB CYS A 42 55.048 24.285 37.977 1.00 0.00 C ATOM 665 SG CYS A 42 56.168 23.035 37.295 1.00 0.00 S ATOM 0 H CYS A 42 52.653 25.465 38.603 1.00 0.00 H new ATOM 0 HA CYS A 42 53.666 23.667 36.461 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.355 25.280 37.656 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.091 24.274 39.066 1.00 0.00 H new ATOM 0 HG CYS A 42 57.382 23.277 37.693 1.00 0.00 H new ATOM 671 N CYS A 43 52.401 23.089 39.444 1.00 0.00 N ATOM 672 CA CYS A 43 51.501 22.221 40.159 1.00 0.00 C ATOM 673 C CYS A 43 50.029 22.644 39.930 1.00 0.00 C ATOM 674 O CYS A 43 49.428 22.305 38.910 1.00 0.00 O ATOM 675 CB CYS A 43 51.997 22.131 41.614 1.00 0.00 C ATOM 676 SG CYS A 43 52.180 23.732 42.446 1.00 0.00 S ATOM 0 H CYS A 43 52.600 23.953 39.949 1.00 0.00 H new ATOM 0 HA CYS A 43 51.505 21.198 39.783 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.301 21.517 42.185 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.958 21.618 41.626 1.00 0.00 H new ATOM 0 HG CYS A 43 52.448 24.650 41.566 1.00 0.00 H new ATOM 681 N ASP A 44 49.454 23.376 40.885 1.00 0.00 N ATOM 682 CA ASP A 44 48.038 23.769 40.909 1.00 0.00 C ATOM 683 C ASP A 44 47.752 25.042 41.717 1.00 0.00 C ATOM 684 O ASP A 44 46.957 25.882 41.301 1.00 0.00 O ATOM 685 CB ASP A 44 47.200 22.642 41.540 1.00 0.00 C ATOM 686 CG ASP A 44 46.858 21.508 40.578 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.935 21.693 39.752 1.00 0.00 O ATOM 688 OD2 ASP A 44 47.439 20.408 40.702 1.00 0.00 O ATOM 0 H ASP A 44 49.974 23.724 41.690 1.00 0.00 H new ATOM 0 HA ASP A 44 47.775 23.961 39.869 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.744 22.231 42.390 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.274 23.066 41.929 1.00 0.00 H new ATOM 693 N SER A 45 48.268 25.110 42.942 1.00 0.00 N ATOM 694 CA SER A 45 47.539 25.733 44.053 1.00 0.00 C ATOM 695 C SER A 45 47.965 27.167 44.376 1.00 0.00 C ATOM 696 O SER A 45 49.124 27.527 44.152 1.00 0.00 O ATOM 697 CB SER A 45 47.653 24.827 45.289 1.00 0.00 C ATOM 698 OG SER A 45 48.952 24.283 45.437 1.00 0.00 O ATOM 0 H SER A 45 49.186 24.743 43.194 1.00 0.00 H new ATOM 0 HA SER A 45 46.500 25.827 43.737 1.00 0.00 H new ATOM 0 HB2 SER A 45 47.397 25.399 46.181 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.928 24.016 45.211 1.00 0.00 H new ATOM 0 HG SER A 45 48.980 23.715 46.235 1.00 0.00 H new ATOM 704 N PRO A 46 47.075 27.994 44.964 1.00 0.00 N ATOM 705 CA PRO A 46 47.495 29.177 45.707 1.00 0.00 C ATOM 706 C PRO A 46 48.414 28.780 46.863 1.00 0.00 C ATOM 707 O PRO A 46 48.224 27.747 47.504 1.00 0.00 O ATOM 708 CB PRO A 46 46.216 29.863 46.182 1.00 0.00 C ATOM 709 CG PRO A 46 45.219 28.712 46.279 1.00 0.00 C ATOM 710 CD PRO A 46 45.651 27.762 45.165 1.00 0.00 C ATOM 0 HA PRO A 46 48.075 29.864 45.091 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.357 30.356 47.144 1.00 0.00 H new ATOM 0 HB3 PRO A 46 45.883 30.626 45.478 1.00 0.00 H new ATOM 0 HG2 PRO A 46 45.260 28.229 47.255 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.195 29.057 46.136 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.461 26.725 45.442 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.092 27.955 44.250 1.00 0.00 H new ATOM 718 N LEU A 47 49.427 29.611 47.108 1.00 0.00 N ATOM 719 CA LEU A 47 50.457 29.353 48.124 1.00 0.00 C ATOM 720 C LEU A 47 50.665 30.567 49.042 1.00 0.00 C ATOM 721 O LEU A 47 50.867 30.408 50.243 1.00 0.00 O ATOM 722 CB LEU A 47 51.757 28.911 47.413 1.00 0.00 C ATOM 723 CG LEU A 47 52.536 27.781 48.117 1.00 0.00 C ATOM 724 CD1 LEU A 47 53.848 27.534 47.369 1.00 0.00 C ATOM 725 CD2 LEU A 47 52.873 28.070 49.579 1.00 0.00 C ATOM 0 H LEU A 47 49.560 30.489 46.606 1.00 0.00 H new ATOM 0 HA LEU A 47 50.131 28.547 48.781 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.508 28.585 46.403 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.412 29.777 47.316 1.00 0.00 H new ATOM 0 HG LEU A 47 51.880 26.911 48.104 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.403 26.736 47.862 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.632 27.244 46.341 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.445 28.446 47.371 1.00 0.00 H new ATOM 0 HD21 LEU A 47 53.420 27.227 50.000 1.00 0.00 H new ATOM 0 HD22 LEU A 47 53.488 28.968 49.640 1.00 0.00 H new ATOM 0 HD23 LEU A 47 51.952 28.222 50.142 1.00 0.00 H new ATOM 737 N PHE A 48 50.544 31.785 48.499 1.00 0.00 N ATOM 738 CA PHE A 48 50.652 33.013 49.301 1.00 0.00 C ATOM 739 C PHE A 48 49.571 34.040 48.955 1.00 0.00 C ATOM 740 O PHE A 48 49.348 34.366 47.788 1.00 0.00 O ATOM 741 CB PHE A 48 52.043 33.638 49.144 1.00 0.00 C ATOM 742 CG PHE A 48 53.188 32.886 49.804 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.881 31.879 49.108 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.611 33.243 51.098 1.00 0.00 C ATOM 745 CE1 PHE A 48 55.003 31.258 49.684 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.736 32.623 51.675 1.00 0.00 C ATOM 747 CZ PHE A 48 55.432 31.630 50.967 1.00 0.00 C ATOM 0 H PHE A 48 50.371 31.948 47.507 1.00 0.00 H new ATOM 0 HA PHE A 48 50.500 32.723 50.341 1.00 0.00 H new ATOM 0 HB2 PHE A 48 52.260 33.730 48.080 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.014 34.648 49.552 1.00 0.00 H new ATOM 0 HD1 PHE A 48 53.549 31.581 48.125 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.070 33.996 51.651 1.00 0.00 H new ATOM 0 HE1 PHE A 48 55.536 30.493 49.138 1.00 0.00 H new ATOM 0 HE2 PHE A 48 55.064 32.911 52.663 1.00 0.00 H new ATOM 0 HZ PHE A 48 56.295 31.154 51.409 1.00 0.00 H new ATOM 757 N SER A 49 48.957 34.625 49.989 1.00 0.00 N ATOM 758 CA SER A 49 48.160 35.840 49.875 1.00 0.00 C ATOM 759 C SER A 49 49.049 37.054 50.111 1.00 0.00 C ATOM 760 O SER A 49 49.719 37.190 51.135 1.00 0.00 O ATOM 761 CB SER A 49 46.947 35.826 50.806 1.00 0.00 C ATOM 762 OG SER A 49 47.241 35.281 52.084 1.00 0.00 O ATOM 0 H SER A 49 49.004 34.259 50.940 1.00 0.00 H new ATOM 0 HA SER A 49 47.755 35.895 48.864 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.575 36.844 50.927 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.147 35.247 50.344 1.00 0.00 H new ATOM 0 HG SER A 49 46.434 35.297 52.640 1.00 0.00 H new ATOM 768 N SER A 50 49.003 37.990 49.171 1.00 0.00 N ATOM 769 CA SER A 50 49.807 39.208 49.154 1.00 0.00 C ATOM 770 C SER A 50 49.432 40.198 50.257 1.00 0.00 C ATOM 771 O SER A 50 50.132 41.170 50.505 1.00 0.00 O ATOM 772 CB SER A 50 49.649 39.862 47.792 1.00 0.00 C ATOM 773 OG SER A 50 50.692 39.462 46.929 1.00 0.00 O ATOM 0 H SER A 50 48.380 37.919 48.367 1.00 0.00 H new ATOM 0 HA SER A 50 50.843 38.928 49.342 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.686 39.589 47.360 1.00 0.00 H new ATOM 0 HB3 SER A 50 49.654 40.947 47.900 1.00 0.00 H new ATOM 0 HG SER A 50 50.576 39.890 46.055 1.00 0.00 H new ATOM 779 N GLU A 51 48.356 39.913 50.982 1.00 0.00 N ATOM 780 CA GLU A 51 48.011 40.585 52.223 1.00 0.00 C ATOM 781 C GLU A 51 49.120 40.436 53.276 1.00 0.00 C ATOM 782 O GLU A 51 49.321 41.325 54.102 1.00 0.00 O ATOM 783 CB GLU A 51 46.771 39.922 52.820 1.00 0.00 C ATOM 784 CG GLU A 51 45.427 40.572 52.548 1.00 0.00 C ATOM 785 CD GLU A 51 44.422 40.257 53.669 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.602 39.237 54.373 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.485 41.076 53.854 1.00 0.00 O ATOM 0 H GLU A 51 47.686 39.192 50.715 1.00 0.00 H new ATOM 0 HA GLU A 51 47.855 41.638 51.988 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.729 38.897 52.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.906 39.869 53.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.553 41.651 52.461 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.035 40.219 51.594 1.00 0.00 H new ATOM 794 N LYS A 52 49.830 39.295 53.275 1.00 0.00 N ATOM 795 CA LYS A 52 50.912 38.999 54.217 1.00 0.00 C ATOM 796 C LYS A 52 52.196 39.762 53.873 1.00 0.00 C ATOM 797 O LYS A 52 53.244 39.492 54.458 1.00 0.00 O ATOM 798 CB LYS A 52 51.178 37.485 54.340 1.00 0.00 C ATOM 799 CG LYS A 52 49.974 36.567 54.617 1.00 0.00 C ATOM 800 CD LYS A 52 48.942 37.062 55.648 1.00 0.00 C ATOM 801 CE LYS A 52 47.665 37.488 54.915 1.00 0.00 C ATOM 802 NZ LYS A 52 46.555 37.905 55.809 1.00 0.00 N ATOM 0 H LYS A 52 49.662 38.543 52.607 1.00 0.00 H new ATOM 0 HA LYS A 52 50.575 39.348 55.193 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.649 37.151 53.415 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.904 37.336 55.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 49.455 36.394 53.674 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.354 35.602 54.953 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.718 36.272 56.365 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.348 37.900 56.214 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.904 38.313 54.244 1.00 0.00 H new ATOM 0 HE3 LYS A 52 47.324 36.660 54.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 45.912 38.538 55.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.032 37.065 56.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 46.943 38.405 56.634 1.00 0.00 H new ATOM 816 N LYS A 53 52.144 40.689 52.907 1.00 0.00 N ATOM 817 CA LYS A 53 53.300 41.502 52.514 1.00 0.00 C ATOM 818 C LYS A 53 53.936 42.195 53.726 1.00 0.00 C ATOM 819 O LYS A 53 53.251 42.804 54.551 1.00 0.00 O ATOM 820 CB LYS A 53 52.954 42.465 51.376 1.00 0.00 C ATOM 821 CG LYS A 53 54.203 43.125 50.758 1.00 0.00 C ATOM 822 CD LYS A 53 53.829 44.397 49.991 1.00 0.00 C ATOM 823 CE LYS A 53 53.368 45.497 50.956 1.00 0.00 C ATOM 824 NZ LYS A 53 54.468 46.016 51.801 1.00 0.00 N ATOM 0 H LYS A 53 51.298 40.896 52.376 1.00 0.00 H new ATOM 0 HA LYS A 53 54.062 40.833 52.115 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.411 41.925 50.600 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.286 43.240 51.751 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.918 43.367 51.545 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.695 42.422 50.086 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.687 44.747 49.416 1.00 0.00 H new ATOM 0 HD3 LYS A 53 53.035 44.177 49.277 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.936 46.318 50.384 1.00 0.00 H new ATOM 0 HE3 LYS A 53 52.578 45.105 51.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 54.125 46.823 52.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 54.797 45.266 52.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 55.255 46.324 51.195 1.00 0.00 H new ATOM 838 N TYR A 54 55.256 42.097 53.802 1.00 0.00 N ATOM 839 CA TYR A 54 56.085 42.701 54.855 1.00 0.00 C ATOM 840 C TYR A 54 56.197 44.235 54.689 1.00 0.00 C ATOM 841 O TYR A 54 56.245 44.731 53.557 1.00 0.00 O ATOM 842 CB TYR A 54 57.451 42.008 54.879 1.00 0.00 C ATOM 843 CG TYR A 54 58.115 41.908 56.241 1.00 0.00 C ATOM 844 CD1 TYR A 54 58.829 43.003 56.762 1.00 0.00 C ATOM 845 CD2 TYR A 54 58.057 40.702 56.969 1.00 0.00 C ATOM 846 CE1 TYR A 54 59.460 42.907 58.018 1.00 0.00 C ATOM 847 CE2 TYR A 54 58.708 40.596 58.215 1.00 0.00 C ATOM 848 CZ TYR A 54 59.412 41.700 58.745 1.00 0.00 C ATOM 849 OH TYR A 54 60.058 41.604 59.938 1.00 0.00 O ATOM 0 H TYR A 54 55.804 41.580 53.114 1.00 0.00 H new ATOM 0 HA TYR A 54 55.606 42.547 55.822 1.00 0.00 H new ATOM 0 HB2 TYR A 54 57.334 41.001 54.477 1.00 0.00 H new ATOM 0 HB3 TYR A 54 58.121 42.544 54.207 1.00 0.00 H new ATOM 0 HD1 TYR A 54 58.894 43.921 56.197 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.513 39.858 56.571 1.00 0.00 H new ATOM 0 HE1 TYR A 54 59.982 43.760 58.425 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.668 39.668 58.766 1.00 0.00 H new ATOM 0 HH TYR A 54 60.131 40.661 60.196 1.00 0.00 H new ATOM 933 N PRO A 61 59.134 42.096 47.342 1.00 0.00 N ATOM 934 CA PRO A 61 58.421 40.822 47.416 1.00 0.00 C ATOM 935 C PRO A 61 58.855 39.964 48.608 1.00 0.00 C ATOM 936 O PRO A 61 59.911 39.331 48.631 1.00 0.00 O ATOM 937 CB PRO A 61 58.655 40.121 46.084 1.00 0.00 C ATOM 938 CG PRO A 61 59.998 40.685 45.621 1.00 0.00 C ATOM 939 CD PRO A 61 59.952 42.124 46.135 1.00 0.00 C ATOM 0 HA PRO A 61 57.358 40.993 47.585 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.692 39.038 46.201 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.860 40.338 45.370 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.837 40.131 46.042 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.102 40.645 44.537 1.00 0.00 H new ATOM 0 HD2 PRO A 61 60.955 42.493 46.352 1.00 0.00 H new ATOM 0 HD3 PRO A 61 59.522 42.791 45.388 1.00 0.00 H new ATOM 947 N SER A 62 57.975 39.941 49.599 1.00 0.00 N ATOM 948 CA SER A 62 58.168 39.361 50.916 1.00 0.00 C ATOM 949 C SER A 62 56.821 39.039 51.565 1.00 0.00 C ATOM 950 O SER A 62 55.877 39.802 51.381 1.00 0.00 O ATOM 951 CB SER A 62 58.906 40.382 51.779 1.00 0.00 C ATOM 952 OG SER A 62 58.321 41.676 51.731 1.00 0.00 O ATOM 0 H SER A 62 57.048 40.354 49.495 1.00 0.00 H new ATOM 0 HA SER A 62 58.739 38.437 50.827 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.920 40.034 52.812 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.943 40.446 51.450 1.00 0.00 H new ATOM 0 HG SER A 62 58.916 42.320 52.168 1.00 0.00 H new ATOM 958 N PHE A 63 56.721 37.956 52.341 1.00 0.00 N ATOM 959 CA PHE A 63 55.473 37.455 52.937 1.00 0.00 C ATOM 960 C PHE A 63 55.753 36.892 54.329 1.00 0.00 C ATOM 961 O PHE A 63 56.506 35.938 54.486 1.00 0.00 O ATOM 962 CB PHE A 63 54.822 36.380 52.049 1.00 0.00 C ATOM 963 CG PHE A 63 54.399 36.801 50.647 1.00 0.00 C ATOM 964 CD1 PHE A 63 53.724 38.016 50.418 1.00 0.00 C ATOM 965 CD2 PHE A 63 54.660 35.950 49.558 1.00 0.00 C ATOM 966 CE1 PHE A 63 53.381 38.403 49.111 1.00 0.00 C ATOM 967 CE2 PHE A 63 54.263 36.310 48.258 1.00 0.00 C ATOM 968 CZ PHE A 63 53.634 37.544 48.030 1.00 0.00 C ATOM 0 H PHE A 63 57.530 37.384 52.581 1.00 0.00 H new ATOM 0 HA PHE A 63 54.775 38.288 53.018 1.00 0.00 H new ATOM 0 HB2 PHE A 63 55.521 35.549 51.956 1.00 0.00 H new ATOM 0 HB3 PHE A 63 53.942 36.000 52.568 1.00 0.00 H new ATOM 0 HD1 PHE A 63 53.469 38.654 51.251 1.00 0.00 H new ATOM 0 HD2 PHE A 63 55.170 35.012 49.722 1.00 0.00 H new ATOM 0 HE1 PHE A 63 52.921 39.365 48.938 1.00 0.00 H new ATOM 0 HE2 PHE A 63 54.442 35.636 47.433 1.00 0.00 H new ATOM 0 HZ PHE A 63 53.347 37.831 47.029 1.00 0.00 H new ATOM 978 N SER A 64 55.153 37.506 55.342 1.00 0.00 N ATOM 979 CA SER A 64 55.345 37.165 56.759 1.00 0.00 C ATOM 980 C SER A 64 54.754 35.806 57.167 1.00 0.00 C ATOM 981 O SER A 64 55.260 35.186 58.103 1.00 0.00 O ATOM 982 CB SER A 64 54.790 38.301 57.619 1.00 0.00 C ATOM 983 OG SER A 64 53.413 38.495 57.348 1.00 0.00 O ATOM 0 H SER A 64 54.500 38.277 55.203 1.00 0.00 H new ATOM 0 HA SER A 64 56.417 37.054 56.925 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.931 38.069 58.675 1.00 0.00 H new ATOM 0 HB3 SER A 64 55.340 39.220 57.418 1.00 0.00 H new ATOM 0 HG SER A 64 53.310 38.951 56.486 1.00 0.00 H new ATOM 989 N GLU A 65 53.757 35.297 56.431 1.00 0.00 N ATOM 990 CA GLU A 65 53.351 33.882 56.463 1.00 0.00 C ATOM 991 C GLU A 65 52.880 33.387 55.087 1.00 0.00 C ATOM 992 O GLU A 65 52.391 34.155 54.256 1.00 0.00 O ATOM 993 CB GLU A 65 52.235 33.591 57.479 1.00 0.00 C ATOM 994 CG GLU A 65 52.627 33.741 58.955 1.00 0.00 C ATOM 995 CD GLU A 65 51.633 33.028 59.884 1.00 0.00 C ATOM 996 OE1 GLU A 65 51.656 31.773 59.927 1.00 0.00 O ATOM 997 OE2 GLU A 65 50.868 33.712 60.602 1.00 0.00 O ATOM 0 H GLU A 65 53.202 35.862 55.788 1.00 0.00 H new ATOM 0 HA GLU A 65 54.251 33.348 56.768 1.00 0.00 H new ATOM 0 HB2 GLU A 65 51.398 34.259 57.274 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.878 32.574 57.318 1.00 0.00 H new ATOM 0 HG2 GLU A 65 53.626 33.333 59.109 1.00 0.00 H new ATOM 0 HG3 GLU A 65 52.672 34.799 59.214 1.00 0.00 H new ATOM 1004 N ALA A 66 52.926 32.067 54.899 1.00 0.00 N ATOM 1005 CA ALA A 66 52.205 31.358 53.840 1.00 0.00 C ATOM 1006 C ALA A 66 50.730 31.188 54.253 1.00 0.00 C ATOM 1007 O ALA A 66 50.293 30.108 54.662 1.00 0.00 O ATOM 1008 CB ALA A 66 52.924 30.033 53.548 1.00 0.00 C ATOM 0 H ALA A 66 53.478 31.447 55.492 1.00 0.00 H new ATOM 0 HA ALA A 66 52.201 31.926 52.910 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.394 29.497 52.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.945 30.237 53.225 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.944 29.423 54.451 1.00 0.00 H new ATOM 1162 N GLY A 78 51.179 21.299 50.274 1.00 0.00 N ATOM 1163 CA GLY A 78 52.057 20.554 49.370 1.00 0.00 C ATOM 1164 C GLY A 78 53.554 20.819 49.572 1.00 0.00 C ATOM 1165 O GLY A 78 54.359 20.323 48.783 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.869 19.488 49.499 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.793 20.802 48.342 1.00 0.00 H new ATOM 1169 N ILE A 79 53.943 21.584 50.602 1.00 0.00 N ATOM 1170 CA ILE A 79 55.332 22.048 50.782 1.00 0.00 C ATOM 1171 C ILE A 79 56.199 21.156 51.674 1.00 0.00 C ATOM 1172 O ILE A 79 55.746 20.396 52.530 1.00 0.00 O ATOM 1173 CB ILE A 79 55.436 23.531 51.214 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.982 23.808 52.659 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.693 24.440 50.224 1.00 0.00 C ATOM 1176 CD1 ILE A 79 56.080 23.682 53.726 1.00 0.00 C ATOM 0 H ILE A 79 53.307 21.900 51.334 1.00 0.00 H new ATOM 0 HA ILE A 79 55.750 21.966 49.779 1.00 0.00 H new ATOM 0 HB ILE A 79 56.500 23.765 51.195 1.00 0.00 H new ATOM 0 HG12 ILE A 79 54.567 24.815 52.705 1.00 0.00 H new ATOM 0 HG13 ILE A 79 54.175 23.118 52.908 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.779 25.477 50.547 1.00 0.00 H new ATOM 0 HG22 ILE A 79 55.131 24.332 49.232 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.641 24.157 50.189 1.00 0.00 H new ATOM 0 HD11 ILE A 79 55.659 23.896 54.708 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.482 22.669 53.717 1.00 0.00 H new ATOM 0 HD13 ILE A 79 56.879 24.391 53.511 1.00 0.00 H new ATOM 1188 N LEU A 80 57.498 21.366 51.517 1.00 0.00 N ATOM 1189 CA LEU A 80 58.588 20.866 52.353 1.00 0.00 C ATOM 1190 C LEU A 80 59.575 22.009 52.634 1.00 0.00 C ATOM 1191 O LEU A 80 59.321 23.160 52.285 1.00 0.00 O ATOM 1192 CB LEU A 80 59.227 19.621 51.720 1.00 0.00 C ATOM 1193 CG LEU A 80 59.354 18.458 52.713 1.00 0.00 C ATOM 1194 CD1 LEU A 80 59.554 17.155 51.957 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.473 18.607 53.745 1.00 0.00 C ATOM 0 H LEU A 80 57.847 21.933 50.744 1.00 0.00 H new ATOM 0 HA LEU A 80 58.210 20.533 53.320 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.628 19.303 50.867 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.215 19.878 51.338 1.00 0.00 H new ATOM 0 HG LEU A 80 58.420 18.461 53.275 1.00 0.00 H new ATOM 0 HD11 LEU A 80 59.644 16.333 52.667 1.00 0.00 H new ATOM 0 HD12 LEU A 80 58.700 16.979 51.303 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.462 17.218 51.358 1.00 0.00 H new ATOM 0 HD21 LEU A 80 60.482 17.736 54.400 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.432 18.686 53.233 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.304 19.506 54.338 1.00 0.00 H new ATOM 1207 N ARG A 81 60.657 21.726 53.352 1.00 0.00 N ATOM 1208 CA ARG A 81 61.601 22.721 53.863 1.00 0.00 C ATOM 1209 C ARG A 81 63.021 22.183 54.031 1.00 0.00 C ATOM 1210 O ARG A 81 63.244 20.975 54.053 1.00 0.00 O ATOM 1211 CB ARG A 81 61.041 23.363 55.147 1.00 0.00 C ATOM 1212 CG ARG A 81 60.334 22.412 56.127 1.00 0.00 C ATOM 1213 CD ARG A 81 58.803 22.527 56.034 1.00 0.00 C ATOM 1214 NE ARG A 81 58.139 21.633 57.000 1.00 0.00 N ATOM 1215 CZ ARG A 81 57.321 20.620 56.776 1.00 0.00 C ATOM 1216 NH1 ARG A 81 56.838 20.290 55.611 1.00 0.00 N ATOM 1217 NH2 ARG A 81 56.957 19.879 57.773 1.00 0.00 N ATOM 0 H ARG A 81 60.911 20.771 53.603 1.00 0.00 H new ATOM 0 HA ARG A 81 61.701 23.502 53.109 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.862 23.849 55.673 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.338 24.145 54.861 1.00 0.00 H new ATOM 0 HG2 ARG A 81 60.634 21.385 55.917 1.00 0.00 H new ATOM 0 HG3 ARG A 81 60.654 22.636 57.145 1.00 0.00 H new ATOM 0 HD2 ARG A 81 58.501 23.557 56.222 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.478 22.279 55.023 1.00 0.00 H new ATOM 0 HE ARG A 81 58.340 21.824 57.982 1.00 0.00 H new ATOM 0 HH11 ARG A 81 57.088 20.832 54.783 1.00 0.00 H new ATOM 0 HH12 ARG A 81 56.211 19.490 55.527 1.00 0.00 H new ATOM 0 HH21 ARG A 81 57.301 20.082 58.712 1.00 0.00 H new ATOM 0 HH22 ARG A 81 56.326 19.092 57.620 1.00 0.00 H new ATOM 1231 N ARG A 82 63.959 23.124 54.119 1.00 0.00 N ATOM 1232 CA ARG A 82 65.412 22.974 54.201 1.00 0.00 C ATOM 1233 C ARG A 82 65.911 24.083 55.127 1.00 0.00 C ATOM 1234 O ARG A 82 65.732 25.264 54.868 1.00 0.00 O ATOM 1235 CB ARG A 82 66.014 23.024 52.781 1.00 0.00 C ATOM 1236 CG ARG A 82 67.362 22.292 52.664 1.00 0.00 C ATOM 1237 CD ARG A 82 68.415 22.926 53.565 1.00 0.00 C ATOM 1238 NE ARG A 82 69.711 22.238 53.541 1.00 0.00 N ATOM 1239 CZ ARG A 82 70.825 22.681 53.001 1.00 0.00 C ATOM 1240 NH1 ARG A 82 70.866 23.544 52.033 1.00 0.00 N ATOM 1241 NH2 ARG A 82 71.955 22.277 53.487 1.00 0.00 N ATOM 0 H ARG A 82 63.695 24.109 54.136 1.00 0.00 H new ATOM 0 HA ARG A 82 65.721 22.014 54.614 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.307 22.583 52.079 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.147 24.065 52.487 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.234 21.243 52.933 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.703 22.316 51.629 1.00 0.00 H new ATOM 0 HD2 ARG A 82 68.560 23.963 53.264 1.00 0.00 H new ATOM 0 HD3 ARG A 82 68.042 22.941 54.589 1.00 0.00 H new ATOM 0 HE ARG A 82 69.752 21.323 53.989 1.00 0.00 H new ATOM 0 HH11 ARG A 82 70.000 23.919 51.647 1.00 0.00 H new ATOM 0 HH12 ARG A 82 71.765 23.847 51.658 1.00 0.00 H new ATOM 0 HH21 ARG A 82 71.969 21.628 54.274 1.00 0.00 H new ATOM 0 HH22 ARG A 82 72.831 22.608 53.083 1.00 0.00 H new ATOM 1255 N LEU A 83 66.503 23.689 56.244 1.00 0.00 N ATOM 1256 CA LEU A 83 67.164 24.569 57.193 1.00 0.00 C ATOM 1257 C LEU A 83 68.691 24.518 57.068 1.00 0.00 C ATOM 1258 O LEU A 83 69.285 23.494 56.732 1.00 0.00 O ATOM 1259 CB LEU A 83 66.708 24.296 58.629 1.00 0.00 C ATOM 1260 CG LEU A 83 65.335 24.864 59.003 1.00 0.00 C ATOM 1261 CD1 LEU A 83 64.150 24.262 58.242 1.00 0.00 C ATOM 1262 CD2 LEU A 83 65.079 24.664 60.495 1.00 0.00 C ATOM 0 H LEU A 83 66.537 22.709 56.524 1.00 0.00 H new ATOM 0 HA LEU A 83 66.861 25.585 56.940 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.692 23.218 58.788 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.451 24.708 59.312 1.00 0.00 H new ATOM 0 HG LEU A 83 65.388 25.917 58.725 1.00 0.00 H new ATOM 0 HD11 LEU A 83 63.225 24.730 58.579 1.00 0.00 H new ATOM 0 HD12 LEU A 83 64.277 24.437 57.174 1.00 0.00 H new ATOM 0 HD13 LEU A 83 64.103 23.190 58.431 1.00 0.00 H new ATOM 0 HD21 LEU A 83 64.101 25.070 60.754 1.00 0.00 H new ATOM 0 HD22 LEU A 83 65.103 23.600 60.729 1.00 0.00 H new ATOM 0 HD23 LEU A 83 65.849 25.179 61.069 1.00 0.00 H new ATOM 1274 N ASP A 84 69.312 25.652 57.370 1.00 0.00 N ATOM 1275 CA ASP A 84 70.699 25.974 57.009 1.00 0.00 C ATOM 1276 C ASP A 84 71.514 26.517 58.209 1.00 0.00 C ATOM 1277 O ASP A 84 72.367 27.395 58.085 1.00 0.00 O ATOM 1278 CB ASP A 84 70.664 26.897 55.772 1.00 0.00 C ATOM 1279 CG ASP A 84 71.072 26.189 54.478 1.00 0.00 C ATOM 1280 OD1 ASP A 84 72.165 25.583 54.441 1.00 0.00 O ATOM 1281 OD2 ASP A 84 70.314 26.279 53.483 1.00 0.00 O ATOM 0 H ASP A 84 68.854 26.401 57.890 1.00 0.00 H new ATOM 0 HA ASP A 84 71.245 25.071 56.737 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.658 27.300 55.656 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.329 27.744 55.940 1.00 0.00 H new ATOM 1286 N THR A 85 71.270 25.979 59.413 1.00 0.00 N ATOM 1287 CA THR A 85 71.846 26.404 60.712 1.00 0.00 C ATOM 1288 C THR A 85 73.353 26.142 60.886 1.00 0.00 C ATOM 1289 O THR A 85 73.873 26.123 61.999 1.00 0.00 O ATOM 1290 CB THR A 85 71.057 25.791 61.886 1.00 0.00 C ATOM 1291 OG1 THR A 85 71.070 24.380 61.826 1.00 0.00 O ATOM 1292 CG2 THR A 85 69.591 26.229 61.881 1.00 0.00 C ATOM 0 H THR A 85 70.631 25.191 59.520 1.00 0.00 H new ATOM 0 HA THR A 85 71.746 27.489 60.714 1.00 0.00 H new ATOM 0 HB THR A 85 71.548 26.145 62.793 1.00 0.00 H new ATOM 0 HG1 THR A 85 70.564 24.016 62.582 1.00 0.00 H new ATOM 0 HG21 THR A 85 69.072 25.774 62.725 1.00 0.00 H new ATOM 0 HG22 THR A 85 69.535 27.314 61.963 1.00 0.00 H new ATOM 0 HG23 THR A 85 69.119 25.911 60.951 1.00 0.00 H new ATOM 1300 N SER A 86 74.081 26.008 59.782 1.00 0.00 N ATOM 1301 CA SER A 86 75.493 25.588 59.700 1.00 0.00 C ATOM 1302 C SER A 86 76.375 26.564 58.914 1.00 0.00 C ATOM 1303 O SER A 86 77.598 26.446 58.873 1.00 0.00 O ATOM 1304 CB SER A 86 75.539 24.176 59.098 1.00 0.00 C ATOM 1305 OG SER A 86 76.810 23.576 59.246 1.00 0.00 O ATOM 0 H SER A 86 73.686 26.199 58.861 1.00 0.00 H new ATOM 0 HA SER A 86 75.910 25.586 60.707 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.786 23.552 59.580 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.283 24.225 58.040 1.00 0.00 H new ATOM 0 HG SER A 86 77.494 24.274 59.324 1.00 0.00 H new ATOM 1311 N LEU A 87 75.758 27.611 58.368 1.00 0.00 N ATOM 1312 CA LEU A 87 76.406 28.667 57.571 1.00 0.00 C ATOM 1313 C LEU A 87 77.016 29.782 58.442 1.00 0.00 C ATOM 1314 O LEU A 87 77.359 30.868 57.970 1.00 0.00 O ATOM 1315 CB LEU A 87 75.415 29.205 56.522 1.00 0.00 C ATOM 1316 CG LEU A 87 74.834 28.164 55.549 1.00 0.00 C ATOM 1317 CD1 LEU A 87 73.889 28.858 54.567 1.00 0.00 C ATOM 1318 CD2 LEU A 87 75.914 27.438 54.743 1.00 0.00 C ATOM 0 H LEU A 87 74.754 27.758 58.469 1.00 0.00 H new ATOM 0 HA LEU A 87 77.254 28.227 57.046 1.00 0.00 H new ATOM 0 HB2 LEU A 87 74.588 29.686 57.045 1.00 0.00 H new ATOM 0 HB3 LEU A 87 75.917 29.978 55.940 1.00 0.00 H new ATOM 0 HG LEU A 87 74.309 27.424 56.154 1.00 0.00 H new ATOM 0 HD11 LEU A 87 73.477 28.122 53.877 1.00 0.00 H new ATOM 0 HD12 LEU A 87 73.078 29.334 55.118 1.00 0.00 H new ATOM 0 HD13 LEU A 87 74.438 29.614 54.006 1.00 0.00 H new ATOM 0 HD21 LEU A 87 75.445 26.716 54.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 76.479 28.163 54.157 1.00 0.00 H new ATOM 0 HD23 LEU A 87 76.588 26.918 55.424 1.00 0.00 H new ATOM 1330 N GLY A 88 77.105 29.522 59.744 1.00 0.00 N ATOM 1331 CA GLY A 88 77.499 30.485 60.781 1.00 0.00 C ATOM 1332 C GLY A 88 76.343 31.346 61.298 1.00 0.00 C ATOM 1333 O GLY A 88 76.491 32.050 62.298 1.00 0.00 O ATOM 0 H GLY A 88 76.897 28.599 60.126 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.939 29.943 61.618 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.275 31.138 60.381 1.00 0.00 H new ATOM 1337 N CYS A 89 75.185 31.280 60.640 1.00 0.00 N ATOM 1338 CA CYS A 89 73.936 31.932 61.010 1.00 0.00 C ATOM 1339 C CYS A 89 72.755 30.974 60.756 1.00 0.00 C ATOM 1340 O CYS A 89 72.781 30.262 59.748 1.00 0.00 O ATOM 1341 CB CYS A 89 73.819 33.195 60.151 1.00 0.00 C ATOM 1342 SG CYS A 89 72.495 34.274 60.770 1.00 0.00 S ATOM 0 H CYS A 89 75.092 30.736 59.782 1.00 0.00 H new ATOM 0 HA CYS A 89 73.920 32.196 62.067 1.00 0.00 H new ATOM 0 HB2 CYS A 89 74.766 33.734 60.157 1.00 0.00 H new ATOM 0 HB3 CYS A 89 73.616 32.919 59.116 1.00 0.00 H new ATOM 0 HG CYS A 89 72.419 35.337 60.026 1.00 0.00 H new ATOM 1348 N PRO A 90 71.703 30.952 61.595 1.00 0.00 N ATOM 1349 CA PRO A 90 70.459 30.264 61.260 1.00 0.00 C ATOM 1350 C PRO A 90 69.778 30.873 60.025 1.00 0.00 C ATOM 1351 O PRO A 90 69.603 32.087 59.919 1.00 0.00 O ATOM 1352 CB PRO A 90 69.578 30.365 62.513 1.00 0.00 C ATOM 1353 CG PRO A 90 70.091 31.632 63.200 1.00 0.00 C ATOM 1354 CD PRO A 90 71.589 31.582 62.902 1.00 0.00 C ATOM 0 HA PRO A 90 70.643 29.224 60.991 1.00 0.00 H new ATOM 0 HB2 PRO A 90 68.522 30.445 62.257 1.00 0.00 H new ATOM 0 HB3 PRO A 90 69.685 29.489 63.152 1.00 0.00 H new ATOM 0 HG2 PRO A 90 69.626 32.531 62.795 1.00 0.00 H new ATOM 0 HG3 PRO A 90 69.889 31.624 64.271 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.022 32.582 62.895 1.00 0.00 H new ATOM 0 HD3 PRO A 90 72.122 31.010 63.662 1.00 0.00 H new ATOM 1362 N ARG A 91 69.349 30.001 59.111 1.00 0.00 N ATOM 1363 CA ARG A 91 68.506 30.302 57.945 1.00 0.00 C ATOM 1364 C ARG A 91 67.433 29.220 57.798 1.00 0.00 C ATOM 1365 O ARG A 91 67.629 28.075 58.219 1.00 0.00 O ATOM 1366 CB ARG A 91 69.346 30.351 56.661 1.00 0.00 C ATOM 1367 CG ARG A 91 70.395 31.466 56.583 1.00 0.00 C ATOM 1368 CD ARG A 91 69.742 32.854 56.649 1.00 0.00 C ATOM 1369 NE ARG A 91 70.524 33.869 55.914 1.00 0.00 N ATOM 1370 CZ ARG A 91 70.441 34.122 54.619 1.00 0.00 C ATOM 1371 NH1 ARG A 91 69.678 33.427 53.824 1.00 0.00 N ATOM 1372 NH2 ARG A 91 71.120 35.099 54.103 1.00 0.00 N ATOM 0 H ARG A 91 69.592 29.012 59.164 1.00 0.00 H new ATOM 0 HA ARG A 91 68.041 31.276 58.099 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.854 29.393 56.547 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.670 30.456 55.813 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.106 31.357 57.402 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.960 31.372 55.656 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.736 32.801 56.234 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.642 33.158 57.691 1.00 0.00 H new ATOM 0 HE ARG A 91 71.188 34.424 56.454 1.00 0.00 H new ATOM 0 HH11 ARG A 91 69.119 32.659 54.196 1.00 0.00 H new ATOM 0 HH12 ARG A 91 69.639 33.651 52.830 1.00 0.00 H new ATOM 0 HH21 ARG A 91 71.719 35.673 54.696 1.00 0.00 H new ATOM 0 HH22 ARG A 91 71.055 35.293 53.104 1.00 0.00 H new ATOM 1386 N MET A 92 66.325 29.589 57.166 1.00 0.00 N ATOM 1387 CA MET A 92 65.183 28.726 56.882 1.00 0.00 C ATOM 1388 C MET A 92 64.764 28.923 55.423 1.00 0.00 C ATOM 1389 O MET A 92 64.647 30.053 54.948 1.00 0.00 O ATOM 1390 CB MET A 92 64.012 29.041 57.834 1.00 0.00 C ATOM 1391 CG MET A 92 63.527 27.832 58.631 1.00 0.00 C ATOM 1392 SD MET A 92 61.897 28.013 59.407 1.00 0.00 S ATOM 1393 CE MET A 92 62.283 29.205 60.718 1.00 0.00 C ATOM 0 H MET A 92 66.192 30.540 56.822 1.00 0.00 H new ATOM 0 HA MET A 92 65.465 27.685 57.041 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.320 29.823 58.528 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.180 29.440 57.253 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.500 26.968 57.967 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.259 27.614 59.409 1.00 0.00 H new ATOM 0 HE1 MET A 92 61.381 29.422 61.289 1.00 0.00 H new ATOM 0 HE2 MET A 92 63.040 28.785 61.381 1.00 0.00 H new ATOM 0 HE3 MET A 92 62.661 30.125 60.273 1.00 0.00 H new ATOM 1403 N GLU A 93 64.517 27.823 54.730 1.00 0.00 N ATOM 1404 CA GLU A 93 64.067 27.779 53.334 1.00 0.00 C ATOM 1405 C GLU A 93 62.920 26.766 53.167 1.00 0.00 C ATOM 1406 O GLU A 93 62.854 25.752 53.870 1.00 0.00 O ATOM 1407 CB GLU A 93 65.298 27.514 52.447 1.00 0.00 C ATOM 1408 CG GLU A 93 65.019 26.930 51.057 1.00 0.00 C ATOM 1409 CD GLU A 93 66.311 26.552 50.320 1.00 0.00 C ATOM 1410 OE1 GLU A 93 67.420 27.045 50.657 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.246 25.704 49.412 1.00 0.00 O ATOM 0 H GLU A 93 64.627 26.893 55.135 1.00 0.00 H new ATOM 0 HA GLU A 93 63.638 28.730 53.017 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.838 28.452 52.322 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.962 26.832 52.978 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.387 26.048 51.155 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.463 27.656 50.464 1.00 0.00 H new ATOM 1418 N VAL A 94 61.999 27.050 52.245 1.00 0.00 N ATOM 1419 CA VAL A 94 60.838 26.217 51.928 1.00 0.00 C ATOM 1420 C VAL A 94 60.768 25.904 50.433 1.00 0.00 C ATOM 1421 O VAL A 94 61.147 26.709 49.582 1.00 0.00 O ATOM 1422 CB VAL A 94 59.512 26.795 52.466 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.596 27.167 53.954 1.00 0.00 C ATOM 1424 CG2 VAL A 94 58.989 28.019 51.709 1.00 0.00 C ATOM 0 H VAL A 94 62.043 27.897 51.678 1.00 0.00 H new ATOM 0 HA VAL A 94 60.981 25.273 52.455 1.00 0.00 H new ATOM 0 HB VAL A 94 58.809 25.976 52.312 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.638 27.569 54.283 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.837 26.279 54.538 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.373 27.918 54.098 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.054 28.353 52.159 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.725 28.821 51.762 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.815 27.755 50.666 1.00 0.00 H new ATOM 1434 N VAL A 95 60.264 24.714 50.116 1.00 0.00 N ATOM 1435 CA VAL A 95 60.101 24.225 48.738 1.00 0.00 C ATOM 1436 C VAL A 95 58.666 23.762 48.467 1.00 0.00 C ATOM 1437 O VAL A 95 58.037 23.134 49.320 1.00 0.00 O ATOM 1438 CB VAL A 95 61.112 23.107 48.383 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.568 23.586 48.468 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.998 21.859 49.271 1.00 0.00 C ATOM 0 H VAL A 95 59.950 24.045 50.819 1.00 0.00 H new ATOM 0 HA VAL A 95 60.313 25.073 48.087 1.00 0.00 H new ATOM 0 HB VAL A 95 60.849 22.844 47.358 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.237 22.765 48.210 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.721 24.411 47.772 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.782 23.923 49.482 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.739 21.122 48.960 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.175 22.135 50.311 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.999 21.433 49.173 1.00 0.00 H new ATOM 1450 N CYS A 96 58.184 23.991 47.247 1.00 0.00 N ATOM 1451 CA CYS A 96 56.985 23.413 46.701 1.00 0.00 C ATOM 1452 C CYS A 96 57.379 21.996 46.273 1.00 0.00 C ATOM 1453 O CYS A 96 58.124 21.779 45.317 1.00 0.00 O ATOM 1454 CB CYS A 96 56.544 24.320 45.553 1.00 0.00 C ATOM 1455 SG CYS A 96 55.062 23.679 44.705 1.00 0.00 S ATOM 0 H CYS A 96 58.651 24.617 46.591 1.00 0.00 H new ATOM 0 HA CYS A 96 56.141 23.339 47.386 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.337 25.318 45.939 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.358 24.418 44.835 1.00 0.00 H new ATOM 0 HG CYS A 96 55.109 24.000 43.446 1.00 0.00 H new ATOM 1460 N LYS A 97 56.947 21.023 47.063 1.00 0.00 N ATOM 1461 CA LYS A 97 57.178 19.592 46.792 1.00 0.00 C ATOM 1462 C LYS A 97 56.260 19.017 45.709 1.00 0.00 C ATOM 1463 O LYS A 97 56.418 17.889 45.252 1.00 0.00 O ATOM 1464 CB LYS A 97 57.135 18.798 48.093 1.00 0.00 C ATOM 1465 CG LYS A 97 58.039 17.562 48.047 1.00 0.00 C ATOM 1466 CD LYS A 97 59.523 17.960 47.935 1.00 0.00 C ATOM 1467 CE LYS A 97 60.470 16.876 48.452 1.00 0.00 C ATOM 1468 NZ LYS A 97 60.659 15.782 47.477 1.00 0.00 N ATOM 0 H LYS A 97 56.421 21.195 47.920 1.00 0.00 H new ATOM 0 HA LYS A 97 58.179 19.497 46.371 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.442 19.440 48.919 1.00 0.00 H new ATOM 0 HB3 LYS A 97 56.109 18.489 48.294 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.887 16.964 48.945 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.762 16.937 47.198 1.00 0.00 H new ATOM 0 HD2 LYS A 97 59.759 18.175 46.893 1.00 0.00 H new ATOM 0 HD3 LYS A 97 59.691 18.880 48.496 1.00 0.00 H new ATOM 0 HE2 LYS A 97 61.437 17.323 48.685 1.00 0.00 H new ATOM 0 HE3 LYS A 97 60.076 16.466 49.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 61.308 15.073 47.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 59.742 15.336 47.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 61.060 16.166 46.598 1.00 0.00 H new ATOM 1482 N GLN A 98 55.301 19.824 45.292 1.00 0.00 N ATOM 1483 CA GLN A 98 54.394 19.585 44.186 1.00 0.00 C ATOM 1484 C GLN A 98 55.113 19.629 42.833 1.00 0.00 C ATOM 1485 O GLN A 98 55.056 18.669 42.061 1.00 0.00 O ATOM 1486 CB GLN A 98 53.196 20.521 44.249 1.00 0.00 C ATOM 1487 CG GLN A 98 52.579 20.588 45.647 1.00 0.00 C ATOM 1488 CD GLN A 98 51.149 21.088 45.607 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.260 20.545 46.249 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.868 22.118 44.852 1.00 0.00 N ATOM 0 H GLN A 98 55.125 20.720 45.746 1.00 0.00 H new ATOM 0 HA GLN A 98 54.009 18.570 44.285 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.503 21.521 43.943 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.441 20.188 43.537 1.00 0.00 H new ATOM 0 HG2 GLN A 98 52.606 19.599 46.104 1.00 0.00 H new ATOM 0 HG3 GLN A 98 53.177 21.246 46.277 1.00 0.00 H new ATOM 0 HE21 GLN A 98 51.606 22.573 44.315 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.911 22.466 44.800 1.00 0.00 H new ATOM 1499 N CYS A 99 55.858 20.706 42.607 1.00 0.00 N ATOM 1500 CA CYS A 99 56.594 21.003 41.382 1.00 0.00 C ATOM 1501 C CYS A 99 58.141 20.964 41.535 1.00 0.00 C ATOM 1502 O CYS A 99 58.868 21.012 40.540 1.00 0.00 O ATOM 1503 CB CYS A 99 56.035 22.340 40.888 1.00 0.00 C ATOM 1504 SG CYS A 99 56.120 23.621 42.177 1.00 0.00 S ATOM 0 H CYS A 99 55.971 21.435 43.311 1.00 0.00 H new ATOM 0 HA CYS A 99 56.442 20.222 40.637 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.595 22.667 40.012 1.00 0.00 H new ATOM 0 HB3 CYS A 99 55.000 22.208 40.574 1.00 0.00 H new ATOM 0 HG CYS A 99 55.776 23.109 43.321 1.00 0.00 H new ATOM 1509 N GLU A 100 58.628 20.791 42.764 1.00 0.00 N ATOM 1510 CA GLU A 100 60.035 20.750 43.182 1.00 0.00 C ATOM 1511 C GLU A 100 60.801 22.066 42.920 1.00 0.00 C ATOM 1512 O GLU A 100 61.779 22.102 42.165 1.00 0.00 O ATOM 1513 CB GLU A 100 60.732 19.498 42.627 1.00 0.00 C ATOM 1514 CG GLU A 100 62.001 19.199 43.423 1.00 0.00 C ATOM 1515 CD GLU A 100 62.964 18.238 42.721 1.00 0.00 C ATOM 1516 OE1 GLU A 100 63.080 18.236 41.469 1.00 0.00 O ATOM 1517 OE2 GLU A 100 63.708 17.539 43.443 1.00 0.00 O ATOM 0 H GLU A 100 58.001 20.666 43.559 1.00 0.00 H new ATOM 0 HA GLU A 100 60.047 20.664 44.268 1.00 0.00 H new ATOM 0 HB2 GLU A 100 60.055 18.645 42.676 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.981 19.648 41.576 1.00 0.00 H new ATOM 0 HG2 GLU A 100 62.521 20.136 43.624 1.00 0.00 H new ATOM 0 HG3 GLU A 100 61.721 18.776 44.388 1.00 0.00 H new ATOM 1524 N ALA A 101 60.389 23.155 43.573 1.00 0.00 N ATOM 1525 CA ALA A 101 61.054 24.452 43.479 1.00 0.00 C ATOM 1526 C ALA A 101 61.086 25.229 44.803 1.00 0.00 C ATOM 1527 O ALA A 101 60.227 25.072 45.664 1.00 0.00 O ATOM 1528 CB ALA A 101 60.419 25.247 42.329 1.00 0.00 C ATOM 0 H ALA A 101 59.575 23.159 44.188 1.00 0.00 H new ATOM 0 HA ALA A 101 62.108 24.283 43.258 1.00 0.00 H new ATOM 0 HB1 ALA A 101 60.906 26.219 42.246 1.00 0.00 H new ATOM 0 HB2 ALA A 101 60.543 24.698 41.395 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.357 25.389 42.528 1.00 0.00 H new ATOM 1534 N HIS A 102 62.092 26.087 44.956 1.00 0.00 N ATOM 1535 CA HIS A 102 62.363 26.908 46.146 1.00 0.00 C ATOM 1536 C HIS A 102 61.436 28.134 46.240 1.00 0.00 C ATOM 1537 O HIS A 102 61.796 29.263 45.895 1.00 0.00 O ATOM 1538 CB HIS A 102 63.867 27.243 46.211 1.00 0.00 C ATOM 1539 CG HIS A 102 64.493 27.624 44.890 1.00 0.00 C ATOM 1540 ND1 HIS A 102 65.080 26.754 44.000 1.00 0.00 N ATOM 1541 CD2 HIS A 102 64.609 28.879 44.356 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.523 27.458 42.947 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.279 28.768 43.129 1.00 0.00 N ATOM 0 H HIS A 102 62.779 26.240 44.218 1.00 0.00 H new ATOM 0 HA HIS A 102 62.124 26.332 47.040 1.00 0.00 H new ATOM 0 HB2 HIS A 102 64.011 28.063 46.914 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.399 26.381 46.613 1.00 0.00 H new ATOM 0 HD2 HIS A 102 64.248 29.794 44.801 1.00 0.00 H new ATOM 0 HE1 HIS A 102 66.006 27.034 42.079 1.00 0.00 H new ATOM 0 HE2 HIS A 102 65.531 29.530 42.499 1.00 0.00 H new ATOM 1551 N LEU A 103 60.212 27.903 46.729 1.00 0.00 N ATOM 1552 CA LEU A 103 59.172 28.919 46.942 1.00 0.00 C ATOM 1553 C LEU A 103 59.172 29.545 48.335 1.00 0.00 C ATOM 1554 O LEU A 103 58.155 29.790 48.981 1.00 0.00 O ATOM 1555 CB LEU A 103 57.814 28.437 46.444 1.00 0.00 C ATOM 1556 CG LEU A 103 57.665 28.483 44.919 1.00 0.00 C ATOM 1557 CD1 LEU A 103 58.063 29.808 44.265 1.00 0.00 C ATOM 1558 CD2 LEU A 103 58.379 27.374 44.161 1.00 0.00 C ATOM 0 H LEU A 103 59.906 26.968 46.998 1.00 0.00 H new ATOM 0 HA LEU A 103 59.433 29.771 46.314 1.00 0.00 H new ATOM 0 HB2 LEU A 103 57.654 27.414 46.785 1.00 0.00 H new ATOM 0 HB3 LEU A 103 57.033 29.049 46.895 1.00 0.00 H new ATOM 0 HG LEU A 103 56.588 28.344 44.829 1.00 0.00 H new ATOM 0 HD11 LEU A 103 57.921 29.738 43.186 1.00 0.00 H new ATOM 0 HD12 LEU A 103 57.441 30.611 44.661 1.00 0.00 H new ATOM 0 HD13 LEU A 103 59.110 30.020 44.481 1.00 0.00 H new ATOM 0 HD21 LEU A 103 58.211 27.498 43.091 1.00 0.00 H new ATOM 0 HD22 LEU A 103 59.448 27.422 44.368 1.00 0.00 H new ATOM 0 HD23 LEU A 103 57.990 26.407 44.480 1.00 0.00 H new ATOM 1570 N GLY A 104 60.384 29.919 48.687 1.00 0.00 N ATOM 1571 CA GLY A 104 60.699 31.023 49.585 1.00 0.00 C ATOM 1572 C GLY A 104 61.711 30.712 50.682 1.00 0.00 C ATOM 1573 O GLY A 104 62.036 29.566 50.977 1.00 0.00 O ATOM 0 H GLY A 104 61.218 29.444 48.342 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.078 31.854 48.991 1.00 0.00 H new ATOM 0 HA3 GLY A 104 59.775 31.362 50.053 1.00 0.00 H new ATOM 1577 N HIS A 105 62.248 31.772 51.274 1.00 0.00 N ATOM 1578 CA HIS A 105 63.321 31.691 52.261 1.00 0.00 C ATOM 1579 C HIS A 105 63.267 32.871 53.239 1.00 0.00 C ATOM 1580 O HIS A 105 62.623 33.876 52.963 1.00 0.00 O ATOM 1581 CB HIS A 105 64.695 31.596 51.563 1.00 0.00 C ATOM 1582 CG HIS A 105 64.701 31.496 50.053 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.282 32.467 49.169 1.00 0.00 N ATOM 1584 CD2 HIS A 105 65.090 30.418 49.307 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.403 31.977 47.927 1.00 0.00 C ATOM 1586 NE2 HIS A 105 64.895 30.729 47.953 1.00 0.00 N ATOM 0 H HIS A 105 61.947 32.727 51.080 1.00 0.00 H new ATOM 0 HA HIS A 105 63.178 30.782 52.845 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.278 32.473 51.845 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.216 30.725 51.961 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.480 29.488 49.693 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.140 32.514 47.028 1.00 0.00 H new ATOM 0 HE2 HIS A 105 65.088 30.129 47.151 1.00 0.00 H new ATOM 1594 N VAL A 106 63.942 32.769 54.384 1.00 0.00 N ATOM 1595 CA VAL A 106 63.966 33.785 55.446 1.00 0.00 C ATOM 1596 C VAL A 106 65.344 33.903 56.096 1.00 0.00 C ATOM 1597 O VAL A 106 66.068 32.922 56.295 1.00 0.00 O ATOM 1598 CB VAL A 106 62.837 33.558 56.477 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.839 32.153 57.082 1.00 0.00 C ATOM 1600 CG2 VAL A 106 62.831 34.563 57.637 1.00 0.00 C ATOM 0 H VAL A 106 64.508 31.950 54.609 1.00 0.00 H new ATOM 0 HA VAL A 106 63.770 34.749 54.977 1.00 0.00 H new ATOM 0 HB VAL A 106 61.938 33.702 55.879 1.00 0.00 H new ATOM 0 HG11 VAL A 106 62.021 32.063 57.797 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.711 31.415 56.290 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.787 31.978 57.591 1.00 0.00 H new ATOM 0 HG21 VAL A 106 62.008 34.333 58.314 1.00 0.00 H new ATOM 0 HG22 VAL A 106 63.775 34.499 58.178 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.706 35.572 57.244 1.00 0.00 H new ATOM 1610 N PHE A 107 65.690 35.150 56.410 1.00 0.00 N ATOM 1611 CA PHE A 107 66.951 35.566 57.028 1.00 0.00 C ATOM 1612 C PHE A 107 66.784 36.640 58.131 1.00 0.00 C ATOM 1613 O PHE A 107 65.847 37.446 58.073 1.00 0.00 O ATOM 1614 CB PHE A 107 67.903 36.063 55.926 1.00 0.00 C ATOM 1615 CG PHE A 107 67.515 37.369 55.251 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.646 37.372 54.142 1.00 0.00 C ATOM 1617 CD2 PHE A 107 68.047 38.588 55.715 1.00 0.00 C ATOM 1618 CE1 PHE A 107 66.311 38.581 53.508 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.706 39.799 55.088 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.842 39.795 53.979 1.00 0.00 C ATOM 0 H PHE A 107 65.068 35.939 56.232 1.00 0.00 H new ATOM 0 HA PHE A 107 67.367 34.695 57.534 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.897 36.181 56.358 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.977 35.290 55.161 1.00 0.00 H new ATOM 0 HD1 PHE A 107 66.236 36.442 53.778 1.00 0.00 H new ATOM 0 HD2 PHE A 107 68.722 38.592 56.558 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.645 38.578 52.658 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.107 40.731 55.458 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.586 40.723 53.489 1.00 0.00 H new ATOM 1630 N PRO A 108 67.718 36.704 59.106 1.00 0.00 N ATOM 1631 CA PRO A 108 67.803 37.784 60.084 1.00 0.00 C ATOM 1632 C PRO A 108 68.557 39.000 59.533 1.00 0.00 C ATOM 1633 O PRO A 108 69.618 38.875 58.917 1.00 0.00 O ATOM 1634 CB PRO A 108 68.485 37.169 61.307 1.00 0.00 C ATOM 1635 CG PRO A 108 69.430 36.139 60.688 1.00 0.00 C ATOM 1636 CD PRO A 108 68.682 35.659 59.442 1.00 0.00 C ATOM 0 HA PRO A 108 66.818 38.175 60.341 1.00 0.00 H new ATOM 0 HB2 PRO A 108 69.026 37.917 61.887 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.765 36.704 61.980 1.00 0.00 H new ATOM 0 HG2 PRO A 108 70.392 36.582 60.431 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.631 35.317 61.375 1.00 0.00 H new ATOM 0 HD2 PRO A 108 69.373 35.489 58.616 1.00 0.00 H new ATOM 0 HD3 PRO A 108 68.176 34.713 59.634 1.00 0.00 H new ATOM 1644 N ASP A 109 68.003 40.188 59.774 1.00 0.00 N ATOM 1645 CA ASP A 109 68.330 41.423 59.044 1.00 0.00 C ATOM 1646 C ASP A 109 68.918 42.555 59.902 1.00 0.00 C ATOM 1647 O ASP A 109 69.121 43.672 59.420 1.00 0.00 O ATOM 1648 CB ASP A 109 67.047 41.872 58.336 1.00 0.00 C ATOM 1649 CG ASP A 109 65.970 42.311 59.336 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.506 41.443 60.110 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.621 43.517 59.321 1.00 0.00 O ATOM 0 H ASP A 109 67.298 40.327 60.498 1.00 0.00 H new ATOM 0 HA ASP A 109 69.133 41.198 58.342 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.274 42.697 57.660 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.664 41.055 57.724 1.00 0.00 H new ATOM 1656 N GLY A 110 69.160 42.273 61.178 1.00 0.00 N ATOM 1657 CA GLY A 110 69.591 43.245 62.195 1.00 0.00 C ATOM 1658 C GLY A 110 69.122 42.977 63.641 1.00 0.00 C ATOM 1659 O GLY A 110 69.916 43.226 64.552 1.00 0.00 O ATOM 0 H GLY A 110 69.060 41.330 61.553 1.00 0.00 H new ATOM 0 HA2 GLY A 110 70.680 43.284 62.191 1.00 0.00 H new ATOM 0 HA3 GLY A 110 69.235 44.231 61.898 1.00 0.00 H new ATOM 1663 N PRO A 111 67.883 42.497 63.889 1.00 0.00 N ATOM 1664 CA PRO A 111 67.351 42.245 65.233 1.00 0.00 C ATOM 1665 C PRO A 111 67.386 40.750 65.633 1.00 0.00 C ATOM 1666 O PRO A 111 67.899 39.896 64.908 1.00 0.00 O ATOM 1667 CB PRO A 111 65.918 42.788 65.143 1.00 0.00 C ATOM 1668 CG PRO A 111 65.490 42.350 63.743 1.00 0.00 C ATOM 1669 CD PRO A 111 66.779 42.461 62.931 1.00 0.00 C ATOM 0 HA PRO A 111 67.946 42.723 66.011 1.00 0.00 H new ATOM 0 HB2 PRO A 111 65.274 42.367 65.915 1.00 0.00 H new ATOM 0 HB3 PRO A 111 65.886 43.871 65.258 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.100 41.332 63.742 1.00 0.00 H new ATOM 0 HG3 PRO A 111 64.706 42.992 63.343 1.00 0.00 H new ATOM 0 HD2 PRO A 111 66.883 41.613 62.254 1.00 0.00 H new ATOM 0 HD3 PRO A 111 66.772 43.361 62.316 1.00 0.00 H new ATOM 1677 N LYS A 112 66.782 40.424 66.787 1.00 0.00 N ATOM 1678 CA LYS A 112 66.397 39.059 67.205 1.00 0.00 C ATOM 1679 C LYS A 112 65.572 38.325 66.126 1.00 0.00 C ATOM 1680 O LYS A 112 64.895 38.984 65.332 1.00 0.00 O ATOM 1681 CB LYS A 112 65.617 39.182 68.538 1.00 0.00 C ATOM 1682 CG LYS A 112 66.329 38.665 69.791 1.00 0.00 C ATOM 1683 CD LYS A 112 67.784 39.126 69.946 1.00 0.00 C ATOM 1684 CE LYS A 112 68.108 39.100 71.438 1.00 0.00 C ATOM 1685 NZ LYS A 112 69.546 39.327 71.704 1.00 0.00 N ATOM 0 H LYS A 112 66.538 41.128 67.483 1.00 0.00 H new ATOM 0 HA LYS A 112 67.292 38.452 67.345 1.00 0.00 H new ATOM 0 HB2 LYS A 112 65.370 40.232 68.694 1.00 0.00 H new ATOM 0 HB3 LYS A 112 64.675 38.644 68.434 1.00 0.00 H new ATOM 0 HG2 LYS A 112 65.767 38.985 70.668 1.00 0.00 H new ATOM 0 HG3 LYS A 112 66.308 37.575 69.779 1.00 0.00 H new ATOM 0 HD2 LYS A 112 68.457 38.469 69.394 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.915 40.129 69.541 1.00 0.00 H new ATOM 0 HE2 LYS A 112 67.521 39.864 71.948 1.00 0.00 H new ATOM 0 HE3 LYS A 112 67.811 38.138 71.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 69.718 39.301 72.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 70.106 38.584 71.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 69.826 40.256 71.330 1.00 0.00 H new ATOM 1699 N PRO A 113 65.542 36.973 66.126 1.00 0.00 N ATOM 1700 CA PRO A 113 64.810 36.175 65.136 1.00 0.00 C ATOM 1701 C PRO A 113 63.282 36.388 65.151 1.00 0.00 C ATOM 1702 O PRO A 113 62.583 35.875 64.282 1.00 0.00 O ATOM 1703 CB PRO A 113 65.198 34.717 65.398 1.00 0.00 C ATOM 1704 CG PRO A 113 65.552 34.712 66.881 1.00 0.00 C ATOM 1705 CD PRO A 113 66.206 36.079 67.067 1.00 0.00 C ATOM 0 HA PRO A 113 65.090 36.492 64.131 1.00 0.00 H new ATOM 0 HB2 PRO A 113 64.376 34.036 65.178 1.00 0.00 H new ATOM 0 HB3 PRO A 113 66.042 34.408 64.781 1.00 0.00 H new ATOM 0 HG2 PRO A 113 64.669 34.595 67.509 1.00 0.00 H new ATOM 0 HG3 PRO A 113 66.232 33.899 67.133 1.00 0.00 H new ATOM 0 HD2 PRO A 113 66.087 36.432 68.091 1.00 0.00 H new ATOM 0 HD3 PRO A 113 67.277 36.030 66.869 1.00 0.00 H new ATOM 1713 N THR A 114 62.769 37.188 66.087 1.00 0.00 N ATOM 1714 CA THR A 114 61.386 37.702 66.102 1.00 0.00 C ATOM 1715 C THR A 114 61.088 38.702 64.969 1.00 0.00 C ATOM 1716 O THR A 114 59.918 38.920 64.656 1.00 0.00 O ATOM 1717 CB THR A 114 61.074 38.397 67.447 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.993 38.044 68.464 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.685 38.032 67.967 1.00 0.00 C ATOM 0 H THR A 114 63.317 37.510 66.884 1.00 0.00 H new ATOM 0 HA THR A 114 60.754 36.826 65.957 1.00 0.00 H new ATOM 0 HB THR A 114 61.140 39.464 67.232 1.00 0.00 H new ATOM 0 HG1 THR A 114 61.757 38.508 69.294 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.506 38.541 68.914 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.932 38.340 67.241 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.625 36.954 68.118 1.00 0.00 H new ATOM 1727 N GLY A 115 62.121 39.319 64.375 1.00 0.00 N ATOM 1728 CA GLY A 115 62.023 40.280 63.266 1.00 0.00 C ATOM 1729 C GLY A 115 61.838 39.602 61.912 1.00 0.00 C ATOM 1730 O GLY A 115 60.715 39.336 61.491 1.00 0.00 O ATOM 0 H GLY A 115 63.085 39.156 64.666 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.185 40.953 63.448 1.00 0.00 H new ATOM 0 HA3 GLY A 115 62.925 40.892 63.241 1.00 0.00 H new ATOM 1734 N GLN A 116 62.985 39.328 61.288 1.00 0.00 N ATOM 1735 CA GLN A 116 63.271 38.556 60.090 1.00 0.00 C ATOM 1736 C GLN A 116 62.472 38.843 58.811 1.00 0.00 C ATOM 1737 O GLN A 116 61.257 39.018 58.819 1.00 0.00 O ATOM 1738 CB GLN A 116 63.275 37.097 60.464 1.00 0.00 C ATOM 1739 CG GLN A 116 64.306 36.803 61.546 1.00 0.00 C ATOM 1740 CD GLN A 116 64.677 35.341 61.501 1.00 0.00 C ATOM 1741 OE1 GLN A 116 65.623 34.925 60.858 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.906 34.498 62.132 1.00 0.00 N ATOM 0 H GLN A 116 63.854 39.699 61.672 1.00 0.00 H new ATOM 0 HA GLN A 116 64.252 38.900 59.762 1.00 0.00 H new ATOM 0 HB2 GLN A 116 62.285 36.807 60.815 1.00 0.00 H new ATOM 0 HB3 GLN A 116 63.490 36.494 59.582 1.00 0.00 H new ATOM 0 HG2 GLN A 116 65.193 37.419 61.396 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.903 37.057 62.526 1.00 0.00 H new ATOM 0 HE21 GLN A 116 63.112 34.840 62.673 1.00 0.00 H new ATOM 0 HE22 GLN A 116 64.098 33.497 62.084 1.00 0.00 H new ATOM 1751 N ARG A 117 63.156 38.815 57.662 1.00 0.00 N ATOM 1752 CA ARG A 117 62.545 39.085 56.353 1.00 0.00 C ATOM 1753 C ARG A 117 62.497 37.811 55.533 1.00 0.00 C ATOM 1754 O ARG A 117 63.509 37.144 55.320 1.00 0.00 O ATOM 1755 CB ARG A 117 63.270 40.206 55.600 1.00 0.00 C ATOM 1756 CG ARG A 117 63.466 41.452 56.474 1.00 0.00 C ATOM 1757 CD ARG A 117 64.129 42.611 55.727 1.00 0.00 C ATOM 1758 NE ARG A 117 64.473 43.658 56.694 1.00 0.00 N ATOM 1759 CZ ARG A 117 64.873 44.892 56.486 1.00 0.00 C ATOM 1760 NH1 ARG A 117 64.997 45.446 55.316 1.00 0.00 N ATOM 1761 NH2 ARG A 117 65.184 45.592 57.525 1.00 0.00 N ATOM 0 H ARG A 117 64.153 38.604 57.612 1.00 0.00 H new ATOM 0 HA ARG A 117 61.526 39.433 56.521 1.00 0.00 H new ATOM 0 HB2 ARG A 117 64.241 39.845 55.260 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.700 40.473 54.710 1.00 0.00 H new ATOM 0 HG2 ARG A 117 62.498 41.779 56.853 1.00 0.00 H new ATOM 0 HG3 ARG A 117 64.075 41.190 57.339 1.00 0.00 H new ATOM 0 HD2 ARG A 117 65.024 42.265 55.210 1.00 0.00 H new ATOM 0 HD3 ARG A 117 63.455 43.005 54.967 1.00 0.00 H new ATOM 0 HE ARG A 117 64.389 43.388 57.674 1.00 0.00 H new ATOM 0 HH11 ARG A 117 64.777 44.914 54.474 1.00 0.00 H new ATOM 0 HH12 ARG A 117 65.315 46.412 55.240 1.00 0.00 H new ATOM 0 HH21 ARG A 117 65.114 45.182 58.456 1.00 0.00 H new ATOM 0 HH22 ARG A 117 65.500 46.555 57.415 1.00 0.00 H new ATOM 1775 N PHE A 118 61.300 37.504 55.063 1.00 0.00 N ATOM 1776 CA PHE A 118 61.043 36.403 54.141 1.00 0.00 C ATOM 1777 C PHE A 118 61.166 36.916 52.702 1.00 0.00 C ATOM 1778 O PHE A 118 60.455 37.845 52.330 1.00 0.00 O ATOM 1779 CB PHE A 118 59.662 35.809 54.439 1.00 0.00 C ATOM 1780 CG PHE A 118 59.372 34.481 53.761 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.945 34.437 52.419 1.00 0.00 C ATOM 1782 CD2 PHE A 118 59.495 33.279 54.486 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.658 33.201 51.812 1.00 0.00 C ATOM 1784 CE2 PHE A 118 59.231 32.043 53.870 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.811 32.004 52.533 1.00 0.00 C ATOM 0 H PHE A 118 60.459 38.023 55.315 1.00 0.00 H new ATOM 0 HA PHE A 118 61.775 35.606 54.269 1.00 0.00 H new ATOM 0 HB2 PHE A 118 59.565 35.678 55.517 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.901 36.528 54.135 1.00 0.00 H new ATOM 0 HD1 PHE A 118 58.838 35.353 51.856 1.00 0.00 H new ATOM 0 HD2 PHE A 118 59.794 33.307 55.523 1.00 0.00 H new ATOM 0 HE1 PHE A 118 58.318 33.171 50.787 1.00 0.00 H new ATOM 0 HE2 PHE A 118 59.352 31.125 54.426 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.605 31.056 52.058 1.00 0.00 H new ATOM 1795 N CYS A 119 62.041 36.328 51.892 1.00 0.00 N ATOM 1796 CA CYS A 119 62.206 36.612 50.468 1.00 0.00 C ATOM 1797 C CYS A 119 61.616 35.471 49.619 1.00 0.00 C ATOM 1798 O CYS A 119 62.006 34.307 49.724 1.00 0.00 O ATOM 1799 CB CYS A 119 63.688 36.913 50.168 1.00 0.00 C ATOM 1800 SG CYS A 119 64.783 35.530 50.610 1.00 0.00 S ATOM 0 H CYS A 119 62.683 35.609 52.224 1.00 0.00 H new ATOM 0 HA CYS A 119 61.645 37.505 50.192 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.802 37.138 49.108 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.993 37.804 50.718 1.00 0.00 H new ATOM 0 HG CYS A 119 64.422 34.465 49.957 1.00 0.00 H new ATOM 1806 N ILE A 120 60.671 35.813 48.743 1.00 0.00 N ATOM 1807 CA ILE A 120 59.899 34.888 47.906 1.00 0.00 C ATOM 1808 C ILE A 120 60.214 35.150 46.420 1.00 0.00 C ATOM 1809 O ILE A 120 60.813 36.171 46.080 1.00 0.00 O ATOM 1810 CB ILE A 120 58.390 35.059 48.228 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.426 34.094 47.500 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.925 36.498 47.945 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.763 32.612 47.678 1.00 0.00 C ATOM 0 H ILE A 120 60.409 36.787 48.589 1.00 0.00 H new ATOM 0 HA ILE A 120 60.173 33.854 48.117 1.00 0.00 H new ATOM 0 HB ILE A 120 58.333 34.812 49.288 1.00 0.00 H new ATOM 0 HG12 ILE A 120 56.413 34.270 47.862 1.00 0.00 H new ATOM 0 HG13 ILE A 120 57.430 34.330 46.436 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.864 36.590 48.179 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.495 37.193 48.562 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.086 36.732 46.893 1.00 0.00 H new ATOM 0 HD11 ILE A 120 57.037 32.006 47.135 1.00 0.00 H new ATOM 0 HD12 ILE A 120 58.762 32.417 47.289 1.00 0.00 H new ATOM 0 HD13 ILE A 120 57.730 32.356 48.737 1.00 0.00 H new ATOM 1825 N ASN A 121 59.828 34.249 45.517 1.00 0.00 N ATOM 1826 CA ASN A 121 59.931 34.431 44.063 1.00 0.00 C ATOM 1827 C ASN A 121 58.924 33.582 43.270 1.00 0.00 C ATOM 1828 O ASN A 121 59.131 32.384 43.090 1.00 0.00 O ATOM 1829 CB ASN A 121 61.364 34.131 43.586 1.00 0.00 C ATOM 1830 CG ASN A 121 62.096 33.072 44.396 1.00 0.00 C ATOM 1831 OD1 ASN A 121 63.049 33.402 45.084 1.00 0.00 O ATOM 1832 ND2 ASN A 121 61.647 31.839 44.372 1.00 0.00 N ATOM 0 H ASN A 121 59.425 33.349 45.779 1.00 0.00 H new ATOM 0 HA ASN A 121 59.685 35.474 43.866 1.00 0.00 H new ATOM 0 HB2 ASN A 121 61.326 33.810 42.545 1.00 0.00 H new ATOM 0 HB3 ASN A 121 61.942 35.054 43.614 1.00 0.00 H new ATOM 0 HD21 ASN A 121 62.097 31.121 44.940 1.00 0.00 H new ATOM 0 HD22 ASN A 121 60.848 31.598 43.785 1.00 0.00 H new ATOM 1839 N SER A 122 57.911 34.220 42.681 1.00 0.00 N ATOM 1840 CA SER A 122 56.985 33.629 41.695 1.00 0.00 C ATOM 1841 C SER A 122 57.655 33.473 40.313 1.00 0.00 C ATOM 1842 O SER A 122 57.182 34.009 39.314 1.00 0.00 O ATOM 1843 CB SER A 122 55.702 34.473 41.626 1.00 0.00 C ATOM 1844 OG SER A 122 55.203 34.698 42.934 1.00 0.00 O ATOM 0 H SER A 122 57.700 35.198 42.880 1.00 0.00 H new ATOM 0 HA SER A 122 56.716 32.623 42.018 1.00 0.00 H new ATOM 0 HB2 SER A 122 55.908 35.425 41.137 1.00 0.00 H new ATOM 0 HB3 SER A 122 54.951 33.961 41.024 1.00 0.00 H new ATOM 0 HG SER A 122 54.390 34.168 43.070 1.00 0.00 H new ATOM 1850 N VAL A 123 58.790 32.761 40.284 1.00 0.00 N ATOM 1851 CA VAL A 123 59.828 32.719 39.224 1.00 0.00 C ATOM 1852 C VAL A 123 59.279 32.693 37.792 1.00 0.00 C ATOM 1853 O VAL A 123 59.694 33.476 36.943 1.00 0.00 O ATOM 1854 CB VAL A 123 60.790 31.535 39.505 1.00 0.00 C ATOM 1855 CG1 VAL A 123 60.097 30.165 39.609 1.00 0.00 C ATOM 1856 CG2 VAL A 123 61.930 31.405 38.490 1.00 0.00 C ATOM 0 H VAL A 123 59.033 32.147 41.061 1.00 0.00 H new ATOM 0 HA VAL A 123 60.375 33.660 39.272 1.00 0.00 H new ATOM 0 HB VAL A 123 61.200 31.801 40.479 1.00 0.00 H new ATOM 0 HG11 VAL A 123 60.842 29.394 39.806 1.00 0.00 H new ATOM 0 HG12 VAL A 123 59.371 30.185 40.422 1.00 0.00 H new ATOM 0 HG13 VAL A 123 59.586 29.944 38.672 1.00 0.00 H new ATOM 0 HG21 VAL A 123 62.558 30.555 38.755 1.00 0.00 H new ATOM 0 HG22 VAL A 123 61.515 31.253 37.494 1.00 0.00 H new ATOM 0 HG23 VAL A 123 62.530 32.315 38.498 1.00 0.00 H new ATOM 1866 N ALA A 124 58.289 31.844 37.561 1.00 0.00 N ATOM 1867 CA ALA A 124 57.419 31.823 36.387 1.00 0.00 C ATOM 1868 C ALA A 124 55.988 31.396 36.782 1.00 0.00 C ATOM 1869 O ALA A 124 55.362 30.600 36.092 1.00 0.00 O ATOM 1870 CB ALA A 124 58.055 30.920 35.318 1.00 0.00 C ATOM 0 H ALA A 124 58.055 31.106 38.225 1.00 0.00 H new ATOM 0 HA ALA A 124 57.322 32.821 35.960 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.416 30.895 34.436 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.034 31.313 35.046 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.166 29.911 35.714 1.00 0.00 H new ATOM 1876 N LEU A 125 55.499 31.857 37.943 1.00 0.00 N ATOM 1877 CA LEU A 125 54.224 31.460 38.549 1.00 0.00 C ATOM 1878 C LEU A 125 53.212 32.617 38.512 1.00 0.00 C ATOM 1879 O LEU A 125 53.565 33.765 38.247 1.00 0.00 O ATOM 1880 CB LEU A 125 54.455 30.908 39.969 1.00 0.00 C ATOM 1881 CG LEU A 125 55.497 29.778 40.090 1.00 0.00 C ATOM 1882 CD1 LEU A 125 55.519 29.278 41.533 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.219 28.579 39.186 1.00 0.00 C ATOM 0 H LEU A 125 56.002 32.543 38.505 1.00 0.00 H new ATOM 0 HA LEU A 125 53.786 30.653 37.962 1.00 0.00 H new ATOM 0 HB2 LEU A 125 54.764 31.732 40.612 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.504 30.542 40.355 1.00 0.00 H new ATOM 0 HG LEU A 125 56.450 30.207 39.780 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.253 28.478 41.630 1.00 0.00 H new ATOM 0 HD12 LEU A 125 55.787 30.099 42.198 1.00 0.00 H new ATOM 0 HD13 LEU A 125 54.533 28.900 41.802 1.00 0.00 H new ATOM 0 HD21 LEU A 125 55.996 27.828 39.329 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.249 28.151 39.438 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.214 28.902 38.145 1.00 0.00 H new ATOM 1895 N LYS A 126 51.936 32.315 38.757 1.00 0.00 N ATOM 1896 CA LYS A 126 50.808 33.205 38.433 1.00 0.00 C ATOM 1897 C LYS A 126 50.372 34.082 39.608 1.00 0.00 C ATOM 1898 O LYS A 126 50.409 33.662 40.760 1.00 0.00 O ATOM 1899 CB LYS A 126 49.652 32.379 37.880 1.00 0.00 C ATOM 1900 CG LYS A 126 49.932 31.913 36.444 1.00 0.00 C ATOM 1901 CD LYS A 126 49.454 32.861 35.331 1.00 0.00 C ATOM 1902 CE LYS A 126 50.356 34.082 35.115 1.00 0.00 C ATOM 1903 NZ LYS A 126 49.780 34.978 34.093 1.00 0.00 N ATOM 0 H LYS A 126 51.648 31.438 39.190 1.00 0.00 H new ATOM 0 HA LYS A 126 51.147 33.905 37.669 1.00 0.00 H new ATOM 0 HB2 LYS A 126 49.484 31.512 38.519 1.00 0.00 H new ATOM 0 HB3 LYS A 126 48.737 32.972 37.900 1.00 0.00 H new ATOM 0 HG2 LYS A 126 51.006 31.764 36.333 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.458 30.942 36.298 1.00 0.00 H new ATOM 0 HD2 LYS A 126 49.388 32.303 34.397 1.00 0.00 H new ATOM 0 HD3 LYS A 126 48.447 33.205 35.569 1.00 0.00 H new ATOM 0 HE2 LYS A 126 50.477 34.622 36.054 1.00 0.00 H new ATOM 0 HE3 LYS A 126 51.349 33.757 34.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 50.404 35.799 33.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 49.687 34.464 33.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 48.842 35.303 34.405 1.00 0.00 H new ATOM 1917 N PHE A 127 49.923 35.304 39.334 1.00 0.00 N ATOM 1918 CA PHE A 127 49.451 36.251 40.348 1.00 0.00 C ATOM 1919 C PHE A 127 48.234 37.049 39.877 1.00 0.00 C ATOM 1920 O PHE A 127 48.082 37.325 38.686 1.00 0.00 O ATOM 1921 CB PHE A 127 50.597 37.175 40.786 1.00 0.00 C ATOM 1922 CG PHE A 127 51.376 37.839 39.666 1.00 0.00 C ATOM 1923 CD1 PHE A 127 52.480 37.174 39.098 1.00 0.00 C ATOM 1924 CD2 PHE A 127 51.016 39.118 39.203 1.00 0.00 C ATOM 1925 CE1 PHE A 127 53.211 37.778 38.063 1.00 0.00 C ATOM 1926 CE2 PHE A 127 51.757 39.728 38.176 1.00 0.00 C ATOM 1927 CZ PHE A 127 52.851 39.056 37.602 1.00 0.00 C ATOM 0 H PHE A 127 49.875 35.673 38.384 1.00 0.00 H new ATOM 0 HA PHE A 127 49.121 35.674 41.212 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.185 37.954 41.428 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.293 36.596 41.393 1.00 0.00 H new ATOM 0 HD1 PHE A 127 52.765 36.197 39.460 1.00 0.00 H new ATOM 0 HD2 PHE A 127 50.170 39.631 39.637 1.00 0.00 H new ATOM 0 HE1 PHE A 127 54.050 37.261 37.621 1.00 0.00 H new ATOM 0 HE2 PHE A 127 51.486 40.714 37.827 1.00 0.00 H new ATOM 0 HZ PHE A 127 53.414 39.522 36.807 1.00 0.00 H new ATOM 1937 N LYS A 128 47.371 37.426 40.827 1.00 0.00 N ATOM 1938 CA LYS A 128 46.243 38.338 40.622 1.00 0.00 C ATOM 1939 C LYS A 128 46.001 39.225 41.852 1.00 0.00 C ATOM 1940 O LYS A 128 46.238 38.769 42.980 1.00 0.00 O ATOM 1941 CB LYS A 128 44.988 37.537 40.238 1.00 0.00 C ATOM 1942 CG LYS A 128 44.547 36.467 41.254 1.00 0.00 C ATOM 1943 CD LYS A 128 43.245 35.810 40.771 1.00 0.00 C ATOM 1944 CE LYS A 128 42.861 34.542 41.544 1.00 0.00 C ATOM 1945 NZ LYS A 128 42.600 34.785 42.981 1.00 0.00 N ATOM 0 H LYS A 128 47.442 37.094 41.789 1.00 0.00 H new ATOM 0 HA LYS A 128 46.485 39.011 39.800 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.164 38.235 40.091 1.00 0.00 H new ATOM 0 HB3 LYS A 128 45.168 37.050 39.279 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.327 35.714 41.367 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.397 36.920 42.234 1.00 0.00 H new ATOM 0 HD2 LYS A 128 42.433 36.533 40.853 1.00 0.00 H new ATOM 0 HD3 LYS A 128 43.346 35.562 39.714 1.00 0.00 H new ATOM 0 HE2 LYS A 128 41.972 34.104 41.090 1.00 0.00 H new ATOM 0 HE3 LYS A 128 43.662 33.810 41.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 43.362 34.361 43.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 42.564 35.809 43.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 41.691 34.355 43.246 1.00 0.00 H new ATOM 1959 N PRO A 129 45.513 40.465 41.671 1.00 0.00 N ATOM 1960 CA PRO A 129 44.936 41.229 42.765 1.00 0.00 C ATOM 1961 C PRO A 129 43.606 40.598 43.203 1.00 0.00 C ATOM 1962 O PRO A 129 43.112 39.646 42.601 1.00 0.00 O ATOM 1963 CB PRO A 129 44.752 42.646 42.221 1.00 0.00 C ATOM 1964 CG PRO A 129 44.418 42.376 40.759 1.00 0.00 C ATOM 1965 CD PRO A 129 45.275 41.157 40.411 1.00 0.00 C ATOM 0 HA PRO A 129 45.571 41.239 43.651 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.951 43.180 42.732 1.00 0.00 H new ATOM 0 HB3 PRO A 129 45.655 43.247 42.330 1.00 0.00 H new ATOM 0 HG2 PRO A 129 43.356 42.171 40.622 1.00 0.00 H new ATOM 0 HG3 PRO A 129 44.662 43.231 40.128 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.762 40.509 39.700 1.00 0.00 H new ATOM 0 HD3 PRO A 129 46.214 41.459 39.947 1.00 0.00 H new ATOM 1973 N SER A 130 43.025 41.138 44.267 1.00 0.00 N ATOM 1974 CA SER A 130 41.783 40.629 44.858 1.00 0.00 C ATOM 1975 C SER A 130 40.543 41.191 44.159 1.00 0.00 C ATOM 1976 O SER A 130 39.528 40.511 43.994 1.00 0.00 O ATOM 1977 CB SER A 130 41.780 40.959 46.342 1.00 0.00 C ATOM 1978 OG SER A 130 41.719 39.763 47.085 1.00 0.00 O ATOM 0 H SER A 130 43.403 41.951 44.753 1.00 0.00 H new ATOM 0 HA SER A 130 41.743 39.548 44.723 1.00 0.00 H new ATOM 0 HB2 SER A 130 42.678 41.518 46.604 1.00 0.00 H new ATOM 0 HB3 SER A 130 40.928 41.594 46.583 1.00 0.00 H new ATOM 0 HG SER A 130 41.719 39.972 48.042 1.00 0.00 H new ATOM 1984 N LYS A 131 40.621 42.476 43.801 1.00 0.00 N ATOM 1985 CA LYS A 131 39.621 43.266 43.077 1.00 0.00 C ATOM 1986 C LYS A 131 39.214 42.704 41.688 1.00 0.00 C ATOM 1987 O LYS A 131 40.003 41.998 41.053 1.00 0.00 O ATOM 1988 CB LYS A 131 40.182 44.692 42.930 1.00 0.00 C ATOM 1989 CG LYS A 131 39.813 45.664 44.062 1.00 0.00 C ATOM 1990 CD LYS A 131 40.277 45.387 45.502 1.00 0.00 C ATOM 1991 CE LYS A 131 39.416 44.338 46.216 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.536 44.422 47.688 1.00 0.00 N ATOM 0 H LYS A 131 41.446 43.032 44.026 1.00 0.00 H new ATOM 0 HA LYS A 131 38.700 43.236 43.659 1.00 0.00 H new ATOM 0 HB2 LYS A 131 41.268 44.632 42.865 1.00 0.00 H new ATOM 0 HB3 LYS A 131 39.828 45.108 41.987 1.00 0.00 H new ATOM 0 HG2 LYS A 131 40.196 46.646 43.782 1.00 0.00 H new ATOM 0 HG3 LYS A 131 38.726 45.739 44.082 1.00 0.00 H new ATOM 0 HD2 LYS A 131 41.313 45.049 45.486 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.254 46.317 46.071 1.00 0.00 H new ATOM 0 HE2 LYS A 131 38.373 44.472 45.930 1.00 0.00 H new ATOM 0 HE3 LYS A 131 39.712 43.342 45.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 38.937 43.694 48.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 40.527 44.268 47.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 39.229 45.363 48.008 1.00 0.00 H new