USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=27 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 HE2:sc= 0.935 K(o=2.3,f=-6.6!) USER MOD Set 1.2: A 119 CYS SG : rot -119:sc= 1.35 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.785 USER MOD Set 2.2: A 50 SER OG : rot -150:sc= 0.43 USER MOD Set 2.3: A 53 LYS NZ :NH3+ 157:sc= 1.35 (180deg=0.00713) USER MOD Set 3.1: A 40 CYS SG : rot -132:sc= -2.21! USER MOD Set 3.2: A 43 CYS SG : rot -116:sc= -3.32! USER MOD Set 3.3: A 96 CYS SG : rot -158:sc= -3.57! USER MOD Set 3.4: A 99 CYS SG : rot -21:sc= -3.7! USER MOD Set 4.1: A 37 MET CE :methyl 169:sc= 0 (180deg=-0.0811) USER MOD Set 4.2: A 130 SER OG : rot -170:sc= 0 USER MOD Single : A 35 THR OG1 : rot 28:sc= 0.338 USER MOD Single : A 39 HIS : no HE2:sc= 0.374 K(o=0.37,f=-3.9!) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.14 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.02) USER MOD Single : A 54 TYR OH : rot 30:sc= -0.0787 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -42:sc= 0.589 USER MOD Single : A 86 SER OG : rot -40:sc= 0.0833 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0359) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.29) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0242) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 116 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.81) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 46.644 45.081 45.381 1.00 0.00 N ATOM 559 CA THR A 35 46.529 43.897 46.243 1.00 0.00 C ATOM 560 C THR A 35 46.123 42.689 45.403 1.00 0.00 C ATOM 561 O THR A 35 45.489 42.833 44.355 1.00 0.00 O ATOM 562 CB THR A 35 45.520 44.137 47.383 1.00 0.00 C ATOM 563 OG1 THR A 35 45.699 45.420 47.933 1.00 0.00 O ATOM 564 CG2 THR A 35 45.683 43.160 48.546 1.00 0.00 C ATOM 0 HA THR A 35 47.499 43.701 46.700 1.00 0.00 H new ATOM 0 HB THR A 35 44.538 44.008 46.927 1.00 0.00 H new ATOM 0 HG1 THR A 35 46.064 46.021 47.250 1.00 0.00 H new ATOM 0 HG21 THR A 35 44.943 43.383 49.315 1.00 0.00 H new ATOM 0 HG22 THR A 35 45.539 42.141 48.188 1.00 0.00 H new ATOM 0 HG23 THR A 35 46.684 43.258 48.966 1.00 0.00 H new ATOM 572 N GLY A 36 46.469 41.490 45.862 1.00 0.00 N ATOM 573 CA GLY A 36 46.230 40.230 45.153 1.00 0.00 C ATOM 574 C GLY A 36 46.797 39.009 45.862 1.00 0.00 C ATOM 575 O GLY A 36 46.973 39.018 47.078 1.00 0.00 O ATOM 0 H GLY A 36 46.935 41.361 46.760 1.00 0.00 H new ATOM 0 HA2 GLY A 36 45.156 40.096 45.021 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.668 40.296 44.157 1.00 0.00 H new ATOM 579 N MET A 37 47.100 37.958 45.106 1.00 0.00 N ATOM 580 CA MET A 37 47.658 36.699 45.602 1.00 0.00 C ATOM 581 C MET A 37 48.427 35.935 44.516 1.00 0.00 C ATOM 582 O MET A 37 48.293 36.203 43.323 1.00 0.00 O ATOM 583 CB MET A 37 46.536 35.849 46.222 1.00 0.00 C ATOM 584 CG MET A 37 45.465 35.434 45.211 1.00 0.00 C ATOM 585 SD MET A 37 43.774 35.416 45.865 1.00 0.00 S ATOM 586 CE MET A 37 43.490 37.204 45.992 1.00 0.00 C ATOM 0 H MET A 37 46.960 37.957 44.096 1.00 0.00 H new ATOM 0 HA MET A 37 48.391 36.928 46.376 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.971 34.955 46.668 1.00 0.00 H new ATOM 0 HB3 MET A 37 46.066 36.412 47.029 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.504 36.115 44.361 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.705 34.440 44.835 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.435 37.392 46.192 1.00 0.00 H new ATOM 0 HE2 MET A 37 44.091 37.611 46.805 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.773 37.685 45.056 1.00 0.00 H new ATOM 596 N TYR A 38 49.232 34.980 44.966 1.00 0.00 N ATOM 597 CA TYR A 38 50.098 34.101 44.192 1.00 0.00 C ATOM 598 C TYR A 38 49.599 32.655 44.243 1.00 0.00 C ATOM 599 O TYR A 38 49.126 32.166 45.277 1.00 0.00 O ATOM 600 CB TYR A 38 51.540 34.151 44.718 1.00 0.00 C ATOM 601 CG TYR A 38 52.287 35.455 44.516 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.077 36.533 45.398 1.00 0.00 C ATOM 603 CD2 TYR A 38 53.237 35.565 43.482 1.00 0.00 C ATOM 604 CE1 TYR A 38 52.800 37.728 45.235 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.975 36.753 43.323 1.00 0.00 C ATOM 606 CZ TYR A 38 53.754 37.838 44.197 1.00 0.00 C ATOM 607 OH TYR A 38 54.467 38.988 44.046 1.00 0.00 O ATOM 0 H TYR A 38 49.301 34.785 45.965 1.00 0.00 H new ATOM 0 HA TYR A 38 50.077 34.452 43.160 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.522 33.929 45.785 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.107 33.354 44.236 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.360 36.442 46.200 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.400 34.736 42.809 1.00 0.00 H new ATOM 0 HE1 TYR A 38 52.627 38.560 45.901 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.708 36.834 42.534 1.00 0.00 H new ATOM 0 HH TYR A 38 55.079 38.896 43.286 1.00 0.00 H new ATOM 617 N HIS A 39 49.769 31.969 43.119 1.00 0.00 N ATOM 618 CA HIS A 39 49.542 30.542 42.945 1.00 0.00 C ATOM 619 C HIS A 39 50.604 29.916 42.022 1.00 0.00 C ATOM 620 O HIS A 39 51.235 30.608 41.219 1.00 0.00 O ATOM 621 CB HIS A 39 48.145 30.316 42.340 1.00 0.00 C ATOM 622 CG HIS A 39 47.902 30.916 40.974 1.00 0.00 C ATOM 623 ND1 HIS A 39 48.207 30.336 39.764 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.244 32.085 40.699 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.742 31.130 38.784 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.150 32.216 39.309 1.00 0.00 N ATOM 0 H HIS A 39 50.086 32.418 42.260 1.00 0.00 H new ATOM 0 HA HIS A 39 49.612 30.064 43.922 1.00 0.00 H new ATOM 0 HB2 HIS A 39 47.968 29.242 42.278 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.404 30.722 43.029 1.00 0.00 H new ATOM 0 HD1 HIS A 39 48.702 29.454 39.633 1.00 0.00 H new ATOM 0 HD2 HIS A 39 46.864 32.785 41.428 1.00 0.00 H new ATOM 0 HE1 HIS A 39 47.831 30.925 37.727 1.00 0.00 H new ATOM 634 N CYS A 40 50.751 28.599 42.068 1.00 0.00 N ATOM 635 CA CYS A 40 51.592 27.852 41.164 1.00 0.00 C ATOM 636 C CYS A 40 51.096 27.885 39.704 1.00 0.00 C ATOM 637 O CYS A 40 49.933 28.154 39.388 1.00 0.00 O ATOM 638 CB CYS A 40 51.652 26.430 41.711 1.00 0.00 C ATOM 639 SG CYS A 40 52.271 26.368 43.415 1.00 0.00 S ATOM 0 H CYS A 40 50.274 28.013 42.754 1.00 0.00 H new ATOM 0 HA CYS A 40 52.583 28.303 41.120 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.657 25.987 41.673 1.00 0.00 H new ATOM 0 HB3 CYS A 40 52.295 25.825 41.072 1.00 0.00 H new ATOM 0 HG CYS A 40 53.181 25.445 43.513 1.00 0.00 H new ATOM 644 N VAL A 41 52.019 27.528 38.817 1.00 0.00 N ATOM 645 CA VAL A 41 51.770 27.260 37.384 1.00 0.00 C ATOM 646 C VAL A 41 51.774 25.753 37.043 1.00 0.00 C ATOM 647 O VAL A 41 51.599 25.378 35.882 1.00 0.00 O ATOM 648 CB VAL A 41 52.714 28.124 36.521 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.139 27.570 36.439 1.00 0.00 C ATOM 650 CG2 VAL A 41 52.183 28.374 35.106 1.00 0.00 C ATOM 0 H VAL A 41 52.999 27.410 39.074 1.00 0.00 H new ATOM 0 HA VAL A 41 50.753 27.565 37.138 1.00 0.00 H new ATOM 0 HB VAL A 41 52.749 29.078 37.047 1.00 0.00 H new ATOM 0 HG11 VAL A 41 54.749 28.225 35.817 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.567 27.517 37.440 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.117 26.572 36.001 1.00 0.00 H new ATOM 0 HG21 VAL A 41 52.895 28.987 34.553 1.00 0.00 H new ATOM 0 HG22 VAL A 41 52.051 27.421 34.593 1.00 0.00 H new ATOM 0 HG23 VAL A 41 51.225 28.892 35.163 1.00 0.00 H new ATOM 660 N CYS A 42 51.964 24.881 38.044 1.00 0.00 N ATOM 661 CA CYS A 42 52.258 23.459 37.855 1.00 0.00 C ATOM 662 C CYS A 42 51.367 22.485 38.656 1.00 0.00 C ATOM 663 O CYS A 42 51.007 21.434 38.112 1.00 0.00 O ATOM 664 CB CYS A 42 53.740 23.269 38.204 1.00 0.00 C ATOM 665 SG CYS A 42 54.778 23.942 36.869 1.00 0.00 S ATOM 0 H CYS A 42 51.916 25.153 39.026 1.00 0.00 H new ATOM 0 HA CYS A 42 52.035 23.203 36.819 1.00 0.00 H new ATOM 0 HB2 CYS A 42 53.969 23.771 39.144 1.00 0.00 H new ATOM 0 HB3 CYS A 42 53.957 22.210 38.347 1.00 0.00 H new ATOM 0 HG CYS A 42 56.032 23.780 37.171 1.00 0.00 H new ATOM 671 N CYS A 43 51.013 22.792 39.907 1.00 0.00 N ATOM 672 CA CYS A 43 50.211 21.922 40.756 1.00 0.00 C ATOM 673 C CYS A 43 48.700 22.265 40.700 1.00 0.00 C ATOM 674 O CYS A 43 47.942 21.643 39.949 1.00 0.00 O ATOM 675 CB CYS A 43 50.862 21.915 42.151 1.00 0.00 C ATOM 676 SG CYS A 43 51.082 23.580 42.811 1.00 0.00 S ATOM 0 H CYS A 43 51.282 23.665 40.360 1.00 0.00 H new ATOM 0 HA CYS A 43 50.212 20.894 40.393 1.00 0.00 H new ATOM 0 HB2 CYS A 43 50.244 21.334 42.835 1.00 0.00 H new ATOM 0 HB3 CYS A 43 51.830 21.417 42.095 1.00 0.00 H new ATOM 0 HG CYS A 43 52.351 23.826 42.953 1.00 0.00 H new ATOM 681 N ASP A 44 48.254 23.225 41.516 1.00 0.00 N ATOM 682 CA ASP A 44 46.826 23.517 41.696 1.00 0.00 C ATOM 683 C ASP A 44 46.490 24.940 42.173 1.00 0.00 C ATOM 684 O ASP A 44 45.940 25.751 41.422 1.00 0.00 O ATOM 685 CB ASP A 44 46.235 22.470 42.656 1.00 0.00 C ATOM 686 CG ASP A 44 44.715 22.397 42.564 1.00 0.00 C ATOM 687 OD1 ASP A 44 44.199 22.262 41.433 1.00 0.00 O ATOM 688 OD2 ASP A 44 44.048 22.406 43.622 1.00 0.00 O ATOM 0 H ASP A 44 48.870 23.821 42.070 1.00 0.00 H new ATOM 0 HA ASP A 44 46.375 23.461 40.705 1.00 0.00 H new ATOM 0 HB2 ASP A 44 46.658 21.492 42.429 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.524 22.713 43.678 1.00 0.00 H new ATOM 693 N SER A 45 46.738 25.207 43.455 1.00 0.00 N ATOM 694 CA SER A 45 46.013 26.196 44.253 1.00 0.00 C ATOM 695 C SER A 45 46.830 27.444 44.635 1.00 0.00 C ATOM 696 O SER A 45 48.058 27.402 44.726 1.00 0.00 O ATOM 697 CB SER A 45 45.484 25.485 45.508 1.00 0.00 C ATOM 698 OG SER A 45 46.500 24.726 46.146 1.00 0.00 O ATOM 0 H SER A 45 47.469 24.728 43.982 1.00 0.00 H new ATOM 0 HA SER A 45 45.203 26.586 43.636 1.00 0.00 H new ATOM 0 HB2 SER A 45 45.088 26.223 46.206 1.00 0.00 H new ATOM 0 HB3 SER A 45 44.657 24.830 45.234 1.00 0.00 H new ATOM 0 HG SER A 45 46.131 24.288 46.941 1.00 0.00 H new ATOM 704 N PRO A 46 46.171 28.589 44.911 1.00 0.00 N ATOM 705 CA PRO A 46 46.815 29.719 45.570 1.00 0.00 C ATOM 706 C PRO A 46 47.105 29.427 47.040 1.00 0.00 C ATOM 707 O PRO A 46 46.259 28.903 47.767 1.00 0.00 O ATOM 708 CB PRO A 46 45.864 30.905 45.423 1.00 0.00 C ATOM 709 CG PRO A 46 44.495 30.241 45.285 1.00 0.00 C ATOM 710 CD PRO A 46 44.778 28.894 44.623 1.00 0.00 C ATOM 0 HA PRO A 46 47.781 29.929 45.112 1.00 0.00 H new ATOM 0 HB2 PRO A 46 45.906 31.564 46.290 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.108 31.510 44.550 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.019 30.112 46.257 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.822 30.846 44.678 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.120 28.120 45.017 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.604 28.944 43.548 1.00 0.00 H new ATOM 718 N LEU A 47 48.290 29.845 47.484 1.00 0.00 N ATOM 719 CA LEU A 47 48.798 29.608 48.844 1.00 0.00 C ATOM 720 C LEU A 47 49.445 30.839 49.501 1.00 0.00 C ATOM 721 O LEU A 47 49.680 30.816 50.707 1.00 0.00 O ATOM 722 CB LEU A 47 49.776 28.414 48.823 1.00 0.00 C ATOM 723 CG LEU A 47 49.145 27.034 48.573 1.00 0.00 C ATOM 724 CD1 LEU A 47 50.243 25.971 48.558 1.00 0.00 C ATOM 725 CD2 LEU A 47 48.134 26.631 49.652 1.00 0.00 C ATOM 0 H LEU A 47 48.941 30.369 46.899 1.00 0.00 H new ATOM 0 HA LEU A 47 47.934 29.379 49.467 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.524 28.595 48.051 1.00 0.00 H new ATOM 0 HB3 LEU A 47 50.303 28.384 49.777 1.00 0.00 H new ATOM 0 HG LEU A 47 48.623 27.102 47.619 1.00 0.00 H new ATOM 0 HD11 LEU A 47 49.799 24.992 48.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 50.956 26.195 47.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 50.759 25.967 49.518 1.00 0.00 H new ATOM 0 HD21 LEU A 47 47.725 25.648 49.418 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.631 26.596 50.621 1.00 0.00 H new ATOM 0 HD23 LEU A 47 47.326 27.362 49.685 1.00 0.00 H new ATOM 737 N PHE A 48 49.713 31.920 48.754 1.00 0.00 N ATOM 738 CA PHE A 48 50.304 33.139 49.342 1.00 0.00 C ATOM 739 C PHE A 48 49.534 34.393 48.926 1.00 0.00 C ATOM 740 O PHE A 48 49.466 34.703 47.735 1.00 0.00 O ATOM 741 CB PHE A 48 51.786 33.247 48.943 1.00 0.00 C ATOM 742 CG PHE A 48 52.676 32.157 49.506 1.00 0.00 C ATOM 743 CD1 PHE A 48 52.703 30.885 48.908 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.492 32.418 50.621 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.506 29.867 49.445 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.340 31.414 51.122 1.00 0.00 C ATOM 747 CZ PHE A 48 54.335 30.132 50.549 1.00 0.00 C ATOM 0 H PHE A 48 49.534 31.979 47.752 1.00 0.00 H new ATOM 0 HA PHE A 48 50.235 33.063 50.427 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.857 33.229 47.855 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.167 34.214 49.272 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.103 30.690 48.031 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.468 33.389 51.093 1.00 0.00 H new ATOM 0 HE1 PHE A 48 53.487 28.879 49.010 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.998 31.630 51.951 1.00 0.00 H new ATOM 0 HZ PHE A 48 54.965 29.354 50.954 1.00 0.00 H new ATOM 757 N SER A 49 48.979 35.160 49.872 1.00 0.00 N ATOM 758 CA SER A 49 48.296 36.407 49.561 1.00 0.00 C ATOM 759 C SER A 49 49.230 37.609 49.650 1.00 0.00 C ATOM 760 O SER A 49 49.927 37.863 50.631 1.00 0.00 O ATOM 761 CB SER A 49 47.007 36.583 50.353 1.00 0.00 C ATOM 762 OG SER A 49 47.204 36.554 51.749 1.00 0.00 O ATOM 0 H SER A 49 48.994 34.930 50.866 1.00 0.00 H new ATOM 0 HA SER A 49 47.986 36.345 48.518 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.546 37.531 50.077 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.307 35.795 50.075 1.00 0.00 H new ATOM 0 HG SER A 49 46.344 36.673 52.203 1.00 0.00 H new ATOM 768 N SER A 50 49.167 38.421 48.601 1.00 0.00 N ATOM 769 CA SER A 50 49.815 39.741 48.545 1.00 0.00 C ATOM 770 C SER A 50 49.190 40.745 49.505 1.00 0.00 C ATOM 771 O SER A 50 49.702 41.843 49.670 1.00 0.00 O ATOM 772 CB SER A 50 49.700 40.313 47.145 1.00 0.00 C ATOM 773 OG SER A 50 50.797 41.159 46.854 1.00 0.00 O ATOM 0 H SER A 50 48.659 38.184 47.749 1.00 0.00 H new ATOM 0 HA SER A 50 50.855 39.585 48.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 49.659 39.502 46.418 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.769 40.872 47.052 1.00 0.00 H new ATOM 0 HG SER A 50 50.515 41.855 46.225 1.00 0.00 H new ATOM 779 N GLU A 51 48.084 40.366 50.129 1.00 0.00 N ATOM 780 CA GLU A 51 47.487 41.075 51.258 1.00 0.00 C ATOM 781 C GLU A 51 48.424 41.243 52.450 1.00 0.00 C ATOM 782 O GLU A 51 48.309 42.233 53.167 1.00 0.00 O ATOM 783 CB GLU A 51 46.222 40.336 51.715 1.00 0.00 C ATOM 784 CG GLU A 51 44.957 41.104 51.387 1.00 0.00 C ATOM 785 CD GLU A 51 43.739 40.584 52.161 1.00 0.00 C ATOM 786 OE1 GLU A 51 43.760 40.592 53.418 1.00 0.00 O ATOM 787 OE2 GLU A 51 42.757 40.186 51.495 1.00 0.00 O ATOM 0 H GLU A 51 47.560 39.534 49.858 1.00 0.00 H new ATOM 0 HA GLU A 51 47.254 42.078 50.900 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.184 39.357 51.238 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.272 40.165 52.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.106 42.159 51.616 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.761 41.035 50.317 1.00 0.00 H new ATOM 794 N LYS A 52 49.372 40.319 52.644 1.00 0.00 N ATOM 795 CA LYS A 52 50.428 40.487 53.649 1.00 0.00 C ATOM 796 C LYS A 52 51.711 41.093 53.076 1.00 0.00 C ATOM 797 O LYS A 52 52.715 41.168 53.784 1.00 0.00 O ATOM 798 CB LYS A 52 50.670 39.199 54.452 1.00 0.00 C ATOM 799 CG LYS A 52 49.756 39.166 55.673 1.00 0.00 C ATOM 800 CD LYS A 52 48.371 38.649 55.287 1.00 0.00 C ATOM 801 CE LYS A 52 47.280 39.481 55.945 1.00 0.00 C ATOM 802 NZ LYS A 52 46.994 39.062 57.337 1.00 0.00 N ATOM 0 H LYS A 52 49.430 39.447 52.118 1.00 0.00 H new ATOM 0 HA LYS A 52 50.061 41.226 54.362 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.483 38.328 53.824 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.712 39.147 54.766 1.00 0.00 H new ATOM 0 HG2 LYS A 52 50.189 38.526 56.442 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.672 40.165 56.100 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.255 38.681 54.204 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.270 37.606 55.588 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.578 40.530 55.941 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.367 39.406 55.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.293 39.706 57.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.618 38.092 57.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.870 39.094 57.896 1.00 0.00 H new ATOM 816 N LYS A 53 51.715 41.503 51.799 1.00 0.00 N ATOM 817 CA LYS A 53 52.908 42.066 51.154 1.00 0.00 C ATOM 818 C LYS A 53 53.086 43.515 51.593 1.00 0.00 C ATOM 819 O LYS A 53 52.146 44.308 51.559 1.00 0.00 O ATOM 820 CB LYS A 53 52.865 41.916 49.626 1.00 0.00 C ATOM 821 CG LYS A 53 54.175 42.328 48.923 1.00 0.00 C ATOM 822 CD LYS A 53 54.011 42.462 47.403 1.00 0.00 C ATOM 823 CE LYS A 53 53.956 41.119 46.671 1.00 0.00 C ATOM 824 NZ LYS A 53 53.304 41.282 45.351 1.00 0.00 N ATOM 0 H LYS A 53 50.898 41.454 51.190 1.00 0.00 H new ATOM 0 HA LYS A 53 53.781 41.499 51.477 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.641 40.878 49.378 1.00 0.00 H new ATOM 0 HB3 LYS A 53 52.047 42.521 49.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.520 43.277 49.333 1.00 0.00 H new ATOM 0 HG3 LYS A 53 54.947 41.589 49.138 1.00 0.00 H new ATOM 0 HD2 LYS A 53 53.098 43.019 47.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 54.840 43.048 47.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 54.964 40.726 46.541 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.406 40.393 47.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 53.604 40.513 44.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 52.271 41.252 45.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 53.579 42.196 44.938 1.00 0.00 H new ATOM 838 N TYR A 54 54.319 43.890 51.906 1.00 0.00 N ATOM 839 CA TYR A 54 54.684 45.267 52.263 1.00 0.00 C ATOM 840 C TYR A 54 54.750 46.203 51.036 1.00 0.00 C ATOM 841 O TYR A 54 55.773 46.838 50.771 1.00 0.00 O ATOM 842 CB TYR A 54 55.947 45.269 53.122 1.00 0.00 C ATOM 843 CG TYR A 54 55.791 44.604 54.478 1.00 0.00 C ATOM 844 CD1 TYR A 54 54.952 45.187 55.450 1.00 0.00 C ATOM 845 CD2 TYR A 54 56.498 43.423 54.781 1.00 0.00 C ATOM 846 CE1 TYR A 54 54.826 44.601 56.724 1.00 0.00 C ATOM 847 CE2 TYR A 54 56.378 42.837 56.057 1.00 0.00 C ATOM 848 CZ TYR A 54 55.550 43.430 57.034 1.00 0.00 C ATOM 849 OH TYR A 54 55.470 42.890 58.278 1.00 0.00 O ATOM 0 H TYR A 54 55.108 43.244 51.921 1.00 0.00 H new ATOM 0 HA TYR A 54 53.886 45.691 52.873 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.744 44.765 52.575 1.00 0.00 H new ATOM 0 HB3 TYR A 54 56.266 46.300 53.272 1.00 0.00 H new ATOM 0 HD1 TYR A 54 54.403 46.087 55.216 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.132 42.967 54.035 1.00 0.00 H new ATOM 0 HE1 TYR A 54 54.176 45.047 57.463 1.00 0.00 H new ATOM 0 HE2 TYR A 54 56.921 41.932 56.288 1.00 0.00 H new ATOM 0 HH TYR A 54 54.591 43.086 58.664 1.00 0.00 H new ATOM 933 N PRO A 61 60.129 43.042 47.613 1.00 0.00 N ATOM 934 CA PRO A 61 59.134 41.976 47.723 1.00 0.00 C ATOM 935 C PRO A 61 59.316 41.066 48.949 1.00 0.00 C ATOM 936 O PRO A 61 60.243 40.265 49.064 1.00 0.00 O ATOM 937 CB PRO A 61 59.200 41.217 46.401 1.00 0.00 C ATOM 938 CG PRO A 61 60.655 41.386 45.972 1.00 0.00 C ATOM 939 CD PRO A 61 60.967 42.808 46.440 1.00 0.00 C ATOM 0 HA PRO A 61 58.144 42.400 47.893 1.00 0.00 H new ATOM 0 HB2 PRO A 61 58.937 40.167 46.527 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.512 41.632 45.664 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.306 40.650 46.443 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.777 41.276 44.894 1.00 0.00 H new ATOM 0 HD2 PRO A 61 62.023 42.914 46.688 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.750 43.533 45.655 1.00 0.00 H new ATOM 947 N SER A 62 58.363 41.191 49.869 1.00 0.00 N ATOM 948 CA SER A 62 58.332 40.552 51.178 1.00 0.00 C ATOM 949 C SER A 62 56.896 40.510 51.731 1.00 0.00 C ATOM 950 O SER A 62 56.099 41.399 51.425 1.00 0.00 O ATOM 951 CB SER A 62 59.238 41.360 52.103 1.00 0.00 C ATOM 952 OG SER A 62 58.984 42.757 52.039 1.00 0.00 O ATOM 0 H SER A 62 57.543 41.777 49.709 1.00 0.00 H new ATOM 0 HA SER A 62 58.680 39.522 51.105 1.00 0.00 H new ATOM 0 HB2 SER A 62 59.101 41.017 53.129 1.00 0.00 H new ATOM 0 HB3 SER A 62 60.279 41.172 51.840 1.00 0.00 H new ATOM 0 HG SER A 62 59.588 43.228 52.650 1.00 0.00 H new ATOM 958 N PHE A 63 56.549 39.487 52.520 1.00 0.00 N ATOM 959 CA PHE A 63 55.210 39.204 53.044 1.00 0.00 C ATOM 960 C PHE A 63 55.326 38.541 54.412 1.00 0.00 C ATOM 961 O PHE A 63 56.074 37.591 54.610 1.00 0.00 O ATOM 962 CB PHE A 63 54.355 38.400 52.047 1.00 0.00 C ATOM 963 CG PHE A 63 55.003 37.191 51.391 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.158 35.991 52.107 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.403 37.250 50.041 1.00 0.00 C ATOM 966 CE1 PHE A 63 55.732 34.868 51.490 1.00 0.00 C ATOM 967 CE2 PHE A 63 55.948 36.114 49.414 1.00 0.00 C ATOM 968 CZ PHE A 63 56.118 34.924 50.140 1.00 0.00 C ATOM 0 H PHE A 63 57.234 38.796 52.827 1.00 0.00 H new ATOM 0 HA PHE A 63 54.675 40.144 53.177 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.459 38.062 52.567 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.029 39.078 51.258 1.00 0.00 H new ATOM 0 HD1 PHE A 63 54.834 35.933 53.136 1.00 0.00 H new ATOM 0 HD2 PHE A 63 55.291 38.170 49.486 1.00 0.00 H new ATOM 0 HE1 PHE A 63 55.877 33.959 52.054 1.00 0.00 H new ATOM 0 HE2 PHE A 63 56.236 36.157 48.374 1.00 0.00 H new ATOM 0 HZ PHE A 63 56.544 34.054 49.662 1.00 0.00 H new ATOM 978 N SER A 64 54.619 39.099 55.382 1.00 0.00 N ATOM 979 CA SER A 64 54.652 38.642 56.776 1.00 0.00 C ATOM 980 C SER A 64 53.920 37.321 57.023 1.00 0.00 C ATOM 981 O SER A 64 54.209 36.654 58.018 1.00 0.00 O ATOM 982 CB SER A 64 54.096 39.725 57.696 1.00 0.00 C ATOM 983 OG SER A 64 52.777 40.072 57.317 1.00 0.00 O ATOM 0 H SER A 64 53.996 39.892 55.229 1.00 0.00 H new ATOM 0 HA SER A 64 55.701 38.450 57.001 1.00 0.00 H new ATOM 0 HB2 SER A 64 54.103 39.372 58.727 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.735 40.607 57.656 1.00 0.00 H new ATOM 0 HG SER A 64 52.436 40.766 57.919 1.00 0.00 H new ATOM 989 N GLU A 65 53.003 36.911 56.140 1.00 0.00 N ATOM 990 CA GLU A 65 52.276 35.639 56.293 1.00 0.00 C ATOM 991 C GLU A 65 52.353 34.735 55.073 1.00 0.00 C ATOM 992 O GLU A 65 52.347 35.143 53.915 1.00 0.00 O ATOM 993 CB GLU A 65 50.831 35.827 56.761 1.00 0.00 C ATOM 994 CG GLU A 65 50.706 36.549 58.119 1.00 0.00 C ATOM 995 CD GLU A 65 49.291 37.082 58.385 1.00 0.00 C ATOM 996 OE1 GLU A 65 48.300 36.387 58.069 1.00 0.00 O ATOM 997 OE2 GLU A 65 49.157 38.249 58.830 1.00 0.00 O ATOM 0 H GLU A 65 52.744 37.441 55.308 1.00 0.00 H new ATOM 0 HA GLU A 65 52.807 35.119 57.090 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.285 36.394 56.007 1.00 0.00 H new ATOM 0 HB3 GLU A 65 50.352 34.850 56.834 1.00 0.00 H new ATOM 0 HG2 GLU A 65 50.986 35.861 58.917 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.413 37.378 58.150 1.00 0.00 H new ATOM 1004 N ALA A 66 52.417 33.462 55.430 1.00 0.00 N ATOM 1005 CA ALA A 66 52.541 32.298 54.586 1.00 0.00 C ATOM 1006 C ALA A 66 51.605 31.222 55.146 1.00 0.00 C ATOM 1007 O ALA A 66 51.831 30.672 56.228 1.00 0.00 O ATOM 1008 CB ALA A 66 54.009 31.851 54.590 1.00 0.00 C ATOM 0 H ALA A 66 52.379 33.200 56.415 1.00 0.00 H new ATOM 0 HA ALA A 66 52.259 32.501 53.553 1.00 0.00 H new ATOM 0 HB1 ALA A 66 54.123 30.971 53.957 1.00 0.00 H new ATOM 0 HB2 ALA A 66 54.636 32.657 54.208 1.00 0.00 H new ATOM 0 HB3 ALA A 66 54.312 31.607 55.608 1.00 0.00 H new ATOM 1162 N GLY A 78 50.508 20.791 50.581 1.00 0.00 N ATOM 1163 CA GLY A 78 51.535 19.916 50.019 1.00 0.00 C ATOM 1164 C GLY A 78 52.915 20.582 49.976 1.00 0.00 C ATOM 1165 O GLY A 78 53.760 20.186 49.176 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.594 19.003 50.612 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.245 19.623 49.010 1.00 0.00 H new ATOM 1169 N ILE A 79 53.137 21.608 50.812 1.00 0.00 N ATOM 1170 CA ILE A 79 54.404 22.355 50.869 1.00 0.00 C ATOM 1171 C ILE A 79 55.297 21.868 52.013 1.00 0.00 C ATOM 1172 O ILE A 79 54.847 21.213 52.956 1.00 0.00 O ATOM 1173 CB ILE A 79 54.203 23.890 50.842 1.00 0.00 C ATOM 1174 CG1 ILE A 79 53.762 24.514 52.182 1.00 0.00 C ATOM 1175 CG2 ILE A 79 53.231 24.298 49.725 1.00 0.00 C ATOM 1176 CD1 ILE A 79 54.933 24.918 53.086 1.00 0.00 C ATOM 0 H ILE A 79 52.437 21.945 51.473 1.00 0.00 H new ATOM 0 HA ILE A 79 54.946 22.134 49.949 1.00 0.00 H new ATOM 0 HB ILE A 79 55.195 24.294 50.642 1.00 0.00 H new ATOM 0 HG12 ILE A 79 53.150 25.393 51.980 1.00 0.00 H new ATOM 0 HG13 ILE A 79 53.131 23.802 52.715 1.00 0.00 H new ATOM 0 HG21 ILE A 79 53.107 25.381 49.728 1.00 0.00 H new ATOM 0 HG22 ILE A 79 53.630 23.981 48.762 1.00 0.00 H new ATOM 0 HG23 ILE A 79 52.265 23.822 49.892 1.00 0.00 H new ATOM 0 HD11 ILE A 79 54.547 25.349 54.010 1.00 0.00 H new ATOM 0 HD12 ILE A 79 55.533 24.038 53.319 1.00 0.00 H new ATOM 0 HD13 ILE A 79 55.552 25.654 52.573 1.00 0.00 H new ATOM 1188 N LEU A 80 56.573 22.226 51.944 1.00 0.00 N ATOM 1189 CA LEU A 80 57.668 21.727 52.773 1.00 0.00 C ATOM 1190 C LEU A 80 58.685 22.824 53.127 1.00 0.00 C ATOM 1191 O LEU A 80 58.564 23.981 52.729 1.00 0.00 O ATOM 1192 CB LEU A 80 58.309 20.517 52.073 1.00 0.00 C ATOM 1193 CG LEU A 80 58.272 19.260 52.947 1.00 0.00 C ATOM 1194 CD1 LEU A 80 58.384 18.022 52.072 1.00 0.00 C ATOM 1195 CD2 LEU A 80 59.359 19.235 54.025 1.00 0.00 C ATOM 0 H LEU A 80 56.893 22.916 51.265 1.00 0.00 H new ATOM 0 HA LEU A 80 57.269 21.402 53.734 1.00 0.00 H new ATOM 0 HB2 LEU A 80 57.787 20.322 51.136 1.00 0.00 H new ATOM 0 HB3 LEU A 80 59.343 20.751 51.819 1.00 0.00 H new ATOM 0 HG LEU A 80 57.316 19.272 53.470 1.00 0.00 H new ATOM 0 HD11 LEU A 80 58.357 17.130 52.698 1.00 0.00 H new ATOM 0 HD12 LEU A 80 57.551 17.997 51.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 59.324 18.050 51.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 59.274 18.317 54.606 1.00 0.00 H new ATOM 0 HD22 LEU A 80 60.341 19.276 53.553 1.00 0.00 H new ATOM 0 HD23 LEU A 80 59.238 20.095 54.684 1.00 0.00 H new ATOM 1207 N ARG A 81 59.678 22.460 53.941 1.00 0.00 N ATOM 1208 CA ARG A 81 60.646 23.372 54.556 1.00 0.00 C ATOM 1209 C ARG A 81 62.032 22.752 54.707 1.00 0.00 C ATOM 1210 O ARG A 81 62.162 21.543 54.902 1.00 0.00 O ATOM 1211 CB ARG A 81 60.082 23.914 55.883 1.00 0.00 C ATOM 1212 CG ARG A 81 59.448 22.905 56.850 1.00 0.00 C ATOM 1213 CD ARG A 81 60.429 21.871 57.421 1.00 0.00 C ATOM 1214 NE ARG A 81 60.000 21.352 58.735 1.00 0.00 N ATOM 1215 CZ ARG A 81 60.785 21.071 59.760 1.00 0.00 C ATOM 1216 NH1 ARG A 81 62.082 21.092 59.677 1.00 0.00 N ATOM 1217 NH2 ARG A 81 60.286 20.753 60.909 1.00 0.00 N ATOM 0 H ARG A 81 59.836 21.486 54.200 1.00 0.00 H new ATOM 0 HA ARG A 81 60.794 24.216 53.882 1.00 0.00 H new ATOM 0 HB2 ARG A 81 60.890 24.422 56.409 1.00 0.00 H new ATOM 0 HB3 ARG A 81 59.332 24.669 55.646 1.00 0.00 H new ATOM 0 HG2 ARG A 81 58.991 23.450 57.676 1.00 0.00 H new ATOM 0 HG3 ARG A 81 58.645 22.379 56.333 1.00 0.00 H new ATOM 0 HD2 ARG A 81 60.527 21.042 56.720 1.00 0.00 H new ATOM 0 HD3 ARG A 81 61.415 22.325 57.517 1.00 0.00 H new ATOM 0 HE ARG A 81 59.000 21.195 58.864 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.533 21.333 58.794 1.00 0.00 H new ATOM 0 HH12 ARG A 81 62.649 20.868 60.495 1.00 0.00 H new ATOM 0 HH21 ARG A 81 59.274 20.717 61.033 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.904 20.538 61.692 1.00 0.00 H new ATOM 1231 N ARG A 82 63.055 23.604 54.682 1.00 0.00 N ATOM 1232 CA ARG A 82 64.469 23.275 54.880 1.00 0.00 C ATOM 1233 C ARG A 82 65.166 24.468 55.532 1.00 0.00 C ATOM 1234 O ARG A 82 65.263 25.550 54.962 1.00 0.00 O ATOM 1235 CB ARG A 82 65.115 22.887 53.544 1.00 0.00 C ATOM 1236 CG ARG A 82 65.945 21.598 53.617 1.00 0.00 C ATOM 1237 CD ARG A 82 65.057 20.350 53.729 1.00 0.00 C ATOM 1238 NE ARG A 82 65.874 19.129 53.758 1.00 0.00 N ATOM 1239 CZ ARG A 82 65.538 17.939 54.211 1.00 0.00 C ATOM 1240 NH1 ARG A 82 64.326 17.660 54.604 1.00 0.00 N ATOM 1241 NH2 ARG A 82 66.442 17.014 54.281 1.00 0.00 N ATOM 0 H ARG A 82 62.913 24.600 54.514 1.00 0.00 H new ATOM 0 HA ARG A 82 64.569 22.415 55.542 1.00 0.00 H new ATOM 0 HB2 ARG A 82 64.334 22.765 52.794 1.00 0.00 H new ATOM 0 HB3 ARG A 82 65.755 23.703 53.208 1.00 0.00 H new ATOM 0 HG2 ARG A 82 66.572 21.519 52.729 1.00 0.00 H new ATOM 0 HG3 ARG A 82 66.614 21.645 54.476 1.00 0.00 H new ATOM 0 HD2 ARG A 82 64.451 20.409 54.633 1.00 0.00 H new ATOM 0 HD3 ARG A 82 64.368 20.312 52.886 1.00 0.00 H new ATOM 0 HE ARG A 82 66.818 19.214 53.381 1.00 0.00 H new ATOM 0 HH11 ARG A 82 63.600 18.376 54.566 1.00 0.00 H new ATOM 0 HH12 ARG A 82 64.104 16.726 54.949 1.00 0.00 H new ATOM 0 HH21 ARG A 82 67.398 17.212 53.987 1.00 0.00 H new ATOM 0 HH22 ARG A 82 66.197 16.087 54.630 1.00 0.00 H new ATOM 1255 N LEU A 83 65.599 24.293 56.773 1.00 0.00 N ATOM 1256 CA LEU A 83 66.373 25.274 57.507 1.00 0.00 C ATOM 1257 C LEU A 83 67.864 25.017 57.307 1.00 0.00 C ATOM 1258 O LEU A 83 68.355 23.910 57.504 1.00 0.00 O ATOM 1259 CB LEU A 83 66.021 25.347 58.994 1.00 0.00 C ATOM 1260 CG LEU A 83 64.567 25.672 59.364 1.00 0.00 C ATOM 1261 CD1 LEU A 83 63.556 24.545 59.118 1.00 0.00 C ATOM 1262 CD2 LEU A 83 64.492 26.035 60.848 1.00 0.00 C ATOM 0 H LEU A 83 65.415 23.443 57.306 1.00 0.00 H new ATOM 0 HA LEU A 83 66.113 26.250 57.098 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.277 24.390 59.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 66.661 26.099 59.454 1.00 0.00 H new ATOM 0 HG LEU A 83 64.290 26.494 58.704 1.00 0.00 H new ATOM 0 HD11 LEU A 83 62.561 24.878 59.412 1.00 0.00 H new ATOM 0 HD12 LEU A 83 63.553 24.284 58.060 1.00 0.00 H new ATOM 0 HD13 LEU A 83 63.835 23.671 59.707 1.00 0.00 H new ATOM 0 HD21 LEU A 83 63.461 26.266 61.114 1.00 0.00 H new ATOM 0 HD22 LEU A 83 64.841 25.194 61.446 1.00 0.00 H new ATOM 0 HD23 LEU A 83 65.121 26.904 61.042 1.00 0.00 H new ATOM 1274 N ASP A 84 68.582 26.079 56.984 1.00 0.00 N ATOM 1275 CA ASP A 84 69.974 26.044 56.505 1.00 0.00 C ATOM 1276 C ASP A 84 70.985 26.343 57.635 1.00 0.00 C ATOM 1277 O ASP A 84 72.153 26.656 57.409 1.00 0.00 O ATOM 1278 CB ASP A 84 70.088 26.971 55.283 1.00 0.00 C ATOM 1279 CG ASP A 84 71.234 26.631 54.327 1.00 0.00 C ATOM 1280 OD1 ASP A 84 71.522 25.425 54.135 1.00 0.00 O ATOM 1281 OD2 ASP A 84 71.776 27.589 53.725 1.00 0.00 O ATOM 0 H ASP A 84 68.209 27.026 57.046 1.00 0.00 H new ATOM 0 HA ASP A 84 70.240 25.037 56.183 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.149 26.938 54.730 1.00 0.00 H new ATOM 0 HB3 ASP A 84 70.216 27.996 55.632 1.00 0.00 H new ATOM 1286 N THR A 85 70.514 26.223 58.883 1.00 0.00 N ATOM 1287 CA THR A 85 71.191 26.520 60.163 1.00 0.00 C ATOM 1288 C THR A 85 72.321 25.543 60.537 1.00 0.00 C ATOM 1289 O THR A 85 72.595 25.284 61.710 1.00 0.00 O ATOM 1290 CB THR A 85 70.130 26.674 61.270 1.00 0.00 C ATOM 1291 OG1 THR A 85 70.717 27.147 62.450 1.00 0.00 O ATOM 1292 CG2 THR A 85 69.358 25.392 61.593 1.00 0.00 C ATOM 0 H THR A 85 69.565 25.886 59.043 1.00 0.00 H new ATOM 0 HA THR A 85 71.721 27.465 60.041 1.00 0.00 H new ATOM 0 HB THR A 85 69.411 27.389 60.870 1.00 0.00 H new ATOM 0 HG1 THR A 85 71.569 26.686 62.599 1.00 0.00 H new ATOM 0 HG21 THR A 85 68.633 25.593 62.382 1.00 0.00 H new ATOM 0 HG22 THR A 85 68.836 25.047 60.700 1.00 0.00 H new ATOM 0 HG23 THR A 85 70.054 24.622 61.927 1.00 0.00 H new ATOM 1300 N SER A 86 72.989 25.004 59.521 1.00 0.00 N ATOM 1301 CA SER A 86 74.095 24.045 59.628 1.00 0.00 C ATOM 1302 C SER A 86 75.367 24.488 58.904 1.00 0.00 C ATOM 1303 O SER A 86 76.387 23.806 58.978 1.00 0.00 O ATOM 1304 CB SER A 86 73.645 22.655 59.170 1.00 0.00 C ATOM 1305 OG SER A 86 74.455 21.669 59.776 1.00 0.00 O ATOM 0 H SER A 86 72.766 25.232 58.552 1.00 0.00 H new ATOM 0 HA SER A 86 74.364 24.001 60.683 1.00 0.00 H new ATOM 0 HB2 SER A 86 72.600 22.495 59.435 1.00 0.00 H new ATOM 0 HB3 SER A 86 73.713 22.579 58.085 1.00 0.00 H new ATOM 0 HG SER A 86 75.386 21.973 59.789 1.00 0.00 H new ATOM 1311 N LEU A 87 75.325 25.668 58.283 1.00 0.00 N ATOM 1312 CA LEU A 87 76.452 26.334 57.612 1.00 0.00 C ATOM 1313 C LEU A 87 77.103 27.439 58.467 1.00 0.00 C ATOM 1314 O LEU A 87 77.815 28.301 57.958 1.00 0.00 O ATOM 1315 CB LEU A 87 75.998 26.851 56.236 1.00 0.00 C ATOM 1316 CG LEU A 87 75.478 25.790 55.254 1.00 0.00 C ATOM 1317 CD1 LEU A 87 75.105 26.465 53.936 1.00 0.00 C ATOM 1318 CD2 LEU A 87 76.517 24.705 54.966 1.00 0.00 C ATOM 0 H LEU A 87 74.465 26.214 58.229 1.00 0.00 H new ATOM 0 HA LEU A 87 77.240 25.594 57.468 1.00 0.00 H new ATOM 0 HB2 LEU A 87 75.212 27.591 56.389 1.00 0.00 H new ATOM 0 HB3 LEU A 87 76.837 27.368 55.770 1.00 0.00 H new ATOM 0 HG LEU A 87 74.612 25.316 55.716 1.00 0.00 H new ATOM 0 HD11 LEU A 87 74.735 25.716 53.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 74.329 27.209 54.115 1.00 0.00 H new ATOM 0 HD13 LEU A 87 75.984 26.953 53.515 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.101 23.979 54.267 1.00 0.00 H new ATOM 0 HD22 LEU A 87 77.407 25.160 54.531 1.00 0.00 H new ATOM 0 HD23 LEU A 87 76.785 24.202 55.895 1.00 0.00 H new ATOM 1330 N GLY A 88 76.817 27.454 59.768 1.00 0.00 N ATOM 1331 CA GLY A 88 77.261 28.480 60.728 1.00 0.00 C ATOM 1332 C GLY A 88 76.412 29.758 60.725 1.00 0.00 C ATOM 1333 O GLY A 88 76.539 30.587 61.619 1.00 0.00 O ATOM 0 H GLY A 88 76.249 26.728 60.205 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.249 28.052 61.730 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.295 28.744 60.507 1.00 0.00 H new ATOM 1337 N CYS A 89 75.511 29.890 59.751 1.00 0.00 N ATOM 1338 CA CYS A 89 74.525 30.967 59.647 1.00 0.00 C ATOM 1339 C CYS A 89 73.097 30.388 59.689 1.00 0.00 C ATOM 1340 O CYS A 89 72.765 29.561 58.835 1.00 0.00 O ATOM 1341 CB CYS A 89 74.777 31.746 58.353 1.00 0.00 C ATOM 1342 SG CYS A 89 73.593 33.121 58.247 1.00 0.00 S ATOM 0 H CYS A 89 75.445 29.223 58.982 1.00 0.00 H new ATOM 0 HA CYS A 89 74.625 31.649 60.492 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.798 32.127 58.336 1.00 0.00 H new ATOM 0 HB3 CYS A 89 74.668 31.088 57.491 1.00 0.00 H new ATOM 0 HG CYS A 89 73.801 33.790 57.152 1.00 0.00 H new ATOM 1348 N PRO A 90 72.238 30.786 60.646 1.00 0.00 N ATOM 1349 CA PRO A 90 70.853 30.342 60.682 1.00 0.00 C ATOM 1350 C PRO A 90 69.993 31.080 59.655 1.00 0.00 C ATOM 1351 O PRO A 90 69.880 32.303 59.657 1.00 0.00 O ATOM 1352 CB PRO A 90 70.367 30.597 62.105 1.00 0.00 C ATOM 1353 CG PRO A 90 71.208 31.794 62.552 1.00 0.00 C ATOM 1354 CD PRO A 90 72.540 31.578 61.828 1.00 0.00 C ATOM 0 HA PRO A 90 70.775 29.287 60.420 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.301 30.821 62.132 1.00 0.00 H new ATOM 0 HB3 PRO A 90 70.527 29.730 62.747 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.745 32.739 62.269 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.337 31.814 63.634 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.992 32.531 61.553 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.253 31.061 62.471 1.00 0.00 H new ATOM 1362 N ARG A 91 69.328 30.295 58.810 1.00 0.00 N ATOM 1363 CA ARG A 91 68.379 30.726 57.768 1.00 0.00 C ATOM 1364 C ARG A 91 67.251 29.703 57.636 1.00 0.00 C ATOM 1365 O ARG A 91 67.402 28.539 58.017 1.00 0.00 O ATOM 1366 CB ARG A 91 69.090 30.896 56.413 1.00 0.00 C ATOM 1367 CG ARG A 91 70.146 32.009 56.336 1.00 0.00 C ATOM 1368 CD ARG A 91 69.531 33.391 56.607 1.00 0.00 C ATOM 1369 NE ARG A 91 70.280 34.476 55.944 1.00 0.00 N ATOM 1370 CZ ARG A 91 70.203 34.828 54.675 1.00 0.00 C ATOM 1371 NH1 ARG A 91 69.431 34.232 53.815 1.00 0.00 N ATOM 1372 NH2 ARG A 91 70.919 35.807 54.220 1.00 0.00 N ATOM 0 H ARG A 91 69.439 29.281 58.830 1.00 0.00 H new ATOM 0 HA ARG A 91 67.963 31.690 58.062 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.569 29.951 56.156 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.334 31.087 55.651 1.00 0.00 H new ATOM 0 HG2 ARG A 91 70.936 31.813 57.061 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.610 32.004 55.350 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.498 33.401 56.260 1.00 0.00 H new ATOM 0 HD3 ARG A 91 69.508 33.572 57.682 1.00 0.00 H new ATOM 0 HE ARG A 91 70.924 35.009 56.528 1.00 0.00 H new ATOM 0 HH11 ARG A 91 68.846 33.451 54.111 1.00 0.00 H new ATOM 0 HH12 ARG A 91 69.411 34.546 52.845 1.00 0.00 H new ATOM 0 HH21 ARG A 91 71.548 36.312 54.844 1.00 0.00 H new ATOM 0 HH22 ARG A 91 70.854 36.073 53.237 1.00 0.00 H new ATOM 1386 N MET A 92 66.135 30.130 57.063 1.00 0.00 N ATOM 1387 CA MET A 92 64.905 29.383 56.887 1.00 0.00 C ATOM 1388 C MET A 92 64.501 29.479 55.415 1.00 0.00 C ATOM 1389 O MET A 92 64.413 30.574 54.871 1.00 0.00 O ATOM 1390 CB MET A 92 63.847 30.009 57.791 1.00 0.00 C ATOM 1391 CG MET A 92 63.747 29.379 59.181 1.00 0.00 C ATOM 1392 SD MET A 92 62.838 30.385 60.386 1.00 0.00 S ATOM 1393 CE MET A 92 61.143 30.205 59.764 1.00 0.00 C ATOM 0 H MET A 92 66.064 31.074 56.683 1.00 0.00 H new ATOM 0 HA MET A 92 65.021 28.332 57.151 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.065 31.071 57.902 1.00 0.00 H new ATOM 0 HB3 MET A 92 62.877 29.932 57.301 1.00 0.00 H new ATOM 0 HG2 MET A 92 63.260 28.408 59.094 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.753 29.199 59.560 1.00 0.00 H new ATOM 0 HE1 MET A 92 60.460 30.768 60.400 1.00 0.00 H new ATOM 0 HE2 MET A 92 61.087 30.587 58.745 1.00 0.00 H new ATOM 0 HE3 MET A 92 60.862 29.152 59.773 1.00 0.00 H new ATOM 1403 N GLU A 93 64.262 28.350 54.765 1.00 0.00 N ATOM 1404 CA GLU A 93 63.794 28.282 53.372 1.00 0.00 C ATOM 1405 C GLU A 93 62.644 27.264 53.233 1.00 0.00 C ATOM 1406 O GLU A 93 62.499 26.335 54.037 1.00 0.00 O ATOM 1407 CB GLU A 93 65.020 28.049 52.467 1.00 0.00 C ATOM 1408 CG GLU A 93 64.730 27.836 50.975 1.00 0.00 C ATOM 1409 CD GLU A 93 66.026 27.680 50.164 1.00 0.00 C ATOM 1410 OE1 GLU A 93 66.666 28.697 49.803 1.00 0.00 O ATOM 1411 OE2 GLU A 93 66.413 26.534 49.825 1.00 0.00 O ATOM 0 H GLU A 93 64.388 27.432 55.192 1.00 0.00 H new ATOM 0 HA GLU A 93 63.344 29.218 53.042 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.688 28.905 52.568 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.560 27.178 52.839 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.111 26.948 50.847 1.00 0.00 H new ATOM 0 HG3 GLU A 93 64.159 28.681 50.590 1.00 0.00 H new ATOM 1418 N VAL A 94 61.760 27.480 52.255 1.00 0.00 N ATOM 1419 CA VAL A 94 60.522 26.716 52.055 1.00 0.00 C ATOM 1420 C VAL A 94 60.356 26.327 50.593 1.00 0.00 C ATOM 1421 O VAL A 94 60.789 27.050 49.695 1.00 0.00 O ATOM 1422 CB VAL A 94 59.279 27.472 52.567 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.221 27.485 54.097 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.190 28.928 52.093 1.00 0.00 C ATOM 0 H VAL A 94 61.889 28.214 51.558 1.00 0.00 H new ATOM 0 HA VAL A 94 60.609 25.806 52.649 1.00 0.00 H new ATOM 0 HB VAL A 94 58.440 26.920 52.144 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.333 28.026 54.423 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.179 26.461 54.468 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.110 27.977 54.491 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.288 29.388 52.497 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.064 29.478 52.441 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.154 28.955 51.004 1.00 0.00 H new ATOM 1434 N VAL A 95 59.721 25.181 50.346 1.00 0.00 N ATOM 1435 CA VAL A 95 59.482 24.665 48.984 1.00 0.00 C ATOM 1436 C VAL A 95 58.067 24.134 48.832 1.00 0.00 C ATOM 1437 O VAL A 95 57.458 23.707 49.807 1.00 0.00 O ATOM 1438 CB VAL A 95 60.508 23.594 48.535 1.00 0.00 C ATOM 1439 CG1 VAL A 95 61.963 24.015 48.775 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.304 22.222 49.195 1.00 0.00 C ATOM 0 H VAL A 95 59.354 24.578 51.082 1.00 0.00 H new ATOM 0 HA VAL A 95 59.615 25.522 48.323 1.00 0.00 H new ATOM 0 HB VAL A 95 60.320 23.505 47.465 1.00 0.00 H new ATOM 0 HG11 VAL A 95 62.631 23.222 48.439 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.174 24.928 48.218 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.119 24.195 49.839 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.060 21.527 48.830 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.394 22.322 50.277 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.313 21.843 48.947 1.00 0.00 H new ATOM 1450 N CYS A 96 57.567 24.099 47.606 1.00 0.00 N ATOM 1451 CA CYS A 96 56.409 23.361 47.224 1.00 0.00 C ATOM 1452 C CYS A 96 56.898 22.000 46.735 1.00 0.00 C ATOM 1453 O CYS A 96 57.689 21.869 45.800 1.00 0.00 O ATOM 1454 CB CYS A 96 55.663 24.164 46.178 1.00 0.00 C ATOM 1455 SG CYS A 96 54.131 23.279 45.807 1.00 0.00 S ATOM 0 H CYS A 96 57.987 24.611 46.830 1.00 0.00 H new ATOM 0 HA CYS A 96 55.706 23.189 48.039 1.00 0.00 H new ATOM 0 HB2 CYS A 96 55.447 25.167 46.546 1.00 0.00 H new ATOM 0 HB3 CYS A 96 56.268 24.278 45.278 1.00 0.00 H new ATOM 0 HG CYS A 96 53.691 23.644 44.639 1.00 0.00 H new ATOM 1460 N LYS A 97 56.432 20.991 47.445 1.00 0.00 N ATOM 1461 CA LYS A 97 56.583 19.572 47.108 1.00 0.00 C ATOM 1462 C LYS A 97 55.508 19.102 46.111 1.00 0.00 C ATOM 1463 O LYS A 97 55.686 18.062 45.481 1.00 0.00 O ATOM 1464 CB LYS A 97 56.703 18.790 48.430 1.00 0.00 C ATOM 1465 CG LYS A 97 56.610 17.269 48.319 1.00 0.00 C ATOM 1466 CD LYS A 97 55.161 16.808 48.519 1.00 0.00 C ATOM 1467 CE LYS A 97 55.061 15.292 48.419 1.00 0.00 C ATOM 1468 NZ LYS A 97 55.269 14.808 47.035 1.00 0.00 N ATOM 0 H LYS A 97 55.914 21.135 48.312 1.00 0.00 H new ATOM 0 HA LYS A 97 57.499 19.376 46.550 1.00 0.00 H new ATOM 0 HB2 LYS A 97 57.657 19.043 48.894 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.919 19.134 49.105 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.970 16.946 47.342 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.253 16.803 49.065 1.00 0.00 H new ATOM 0 HD2 LYS A 97 54.800 17.138 49.493 1.00 0.00 H new ATOM 0 HD3 LYS A 97 54.520 17.270 47.768 1.00 0.00 H new ATOM 0 HE2 LYS A 97 55.801 14.837 49.077 1.00 0.00 H new ATOM 0 HE3 LYS A 97 54.081 14.970 48.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 55.076 13.787 46.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 54.625 15.310 46.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 56.253 14.986 46.749 1.00 0.00 H new ATOM 1482 N GLN A 98 54.435 19.869 45.906 1.00 0.00 N ATOM 1483 CA GLN A 98 53.458 19.643 44.842 1.00 0.00 C ATOM 1484 C GLN A 98 54.020 19.939 43.446 1.00 0.00 C ATOM 1485 O GLN A 98 53.962 19.079 42.568 1.00 0.00 O ATOM 1486 CB GLN A 98 52.123 20.343 45.094 1.00 0.00 C ATOM 1487 CG GLN A 98 51.540 19.945 46.451 1.00 0.00 C ATOM 1488 CD GLN A 98 50.024 19.914 46.406 1.00 0.00 C ATOM 1489 OE1 GLN A 98 49.394 18.889 46.174 1.00 0.00 O ATOM 1490 NE2 GLN A 98 49.372 21.029 46.593 1.00 0.00 N ATOM 0 H GLN A 98 54.218 20.679 46.486 1.00 0.00 H new ATOM 0 HA GLN A 98 53.244 18.574 44.865 1.00 0.00 H new ATOM 0 HB2 GLN A 98 52.263 21.423 45.058 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.419 20.086 44.303 1.00 0.00 H new ATOM 0 HG2 GLN A 98 51.918 18.964 46.739 1.00 0.00 H new ATOM 0 HG3 GLN A 98 51.870 20.651 47.213 1.00 0.00 H new ATOM 0 HE21 GLN A 98 49.881 21.891 46.787 1.00 0.00 H new ATOM 0 HE22 GLN A 98 48.353 21.038 46.545 1.00 0.00 H new ATOM 1499 N CYS A 99 54.615 21.115 43.274 1.00 0.00 N ATOM 1500 CA CYS A 99 55.120 21.641 42.008 1.00 0.00 C ATOM 1501 C CYS A 99 56.670 21.659 41.874 1.00 0.00 C ATOM 1502 O CYS A 99 57.184 21.889 40.773 1.00 0.00 O ATOM 1503 CB CYS A 99 54.439 23.001 41.782 1.00 0.00 C ATOM 1504 SG CYS A 99 54.360 24.045 43.261 1.00 0.00 S ATOM 0 H CYS A 99 54.766 21.759 44.050 1.00 0.00 H new ATOM 0 HA CYS A 99 54.855 20.958 41.201 1.00 0.00 H new ATOM 0 HB2 CYS A 99 54.975 23.538 41.000 1.00 0.00 H new ATOM 0 HB3 CYS A 99 53.426 22.832 41.416 1.00 0.00 H new ATOM 0 HG CYS A 99 54.484 23.304 44.322 1.00 0.00 H new ATOM 1509 N GLU A 100 57.408 21.356 42.947 1.00 0.00 N ATOM 1510 CA GLU A 100 58.882 21.322 43.034 1.00 0.00 C ATOM 1511 C GLU A 100 59.560 22.679 42.750 1.00 0.00 C ATOM 1512 O GLU A 100 60.419 22.807 41.866 1.00 0.00 O ATOM 1513 CB GLU A 100 59.464 20.148 42.224 1.00 0.00 C ATOM 1514 CG GLU A 100 60.864 19.781 42.728 1.00 0.00 C ATOM 1515 CD GLU A 100 61.672 18.991 41.699 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.913 19.499 40.578 1.00 0.00 O ATOM 1517 OE2 GLU A 100 62.140 17.871 42.025 1.00 0.00 O ATOM 0 H GLU A 100 56.971 21.112 43.836 1.00 0.00 H new ATOM 0 HA GLU A 100 59.128 21.131 44.079 1.00 0.00 H new ATOM 0 HB2 GLU A 100 58.805 19.283 42.304 1.00 0.00 H new ATOM 0 HB3 GLU A 100 59.511 20.416 41.169 1.00 0.00 H new ATOM 0 HG2 GLU A 100 61.404 20.692 42.986 1.00 0.00 H new ATOM 0 HG3 GLU A 100 60.775 19.194 43.642 1.00 0.00 H new ATOM 1524 N ALA A 101 59.177 23.710 43.508 1.00 0.00 N ATOM 1525 CA ALA A 101 59.775 25.041 43.464 1.00 0.00 C ATOM 1526 C ALA A 101 59.970 25.623 44.866 1.00 0.00 C ATOM 1527 O ALA A 101 59.169 25.388 45.763 1.00 0.00 O ATOM 1528 CB ALA A 101 58.916 25.958 42.581 1.00 0.00 C ATOM 0 H ALA A 101 58.420 23.636 44.188 1.00 0.00 H new ATOM 0 HA ALA A 101 60.770 24.963 43.025 1.00 0.00 H new ATOM 0 HB1 ALA A 101 59.361 26.952 42.547 1.00 0.00 H new ATOM 0 HB2 ALA A 101 58.866 25.549 41.572 1.00 0.00 H new ATOM 0 HB3 ALA A 101 57.910 26.025 42.996 1.00 0.00 H new ATOM 1534 N HIS A 102 61.029 26.403 45.074 1.00 0.00 N ATOM 1535 CA HIS A 102 61.222 27.130 46.326 1.00 0.00 C ATOM 1536 C HIS A 102 60.252 28.317 46.434 1.00 0.00 C ATOM 1537 O HIS A 102 60.189 29.181 45.561 1.00 0.00 O ATOM 1538 CB HIS A 102 62.695 27.497 46.546 1.00 0.00 C ATOM 1539 CG HIS A 102 63.439 27.971 45.327 1.00 0.00 C ATOM 1540 ND1 HIS A 102 64.462 27.296 44.703 1.00 0.00 N ATOM 1541 CD2 HIS A 102 63.267 29.153 44.662 1.00 0.00 C ATOM 1542 CE1 HIS A 102 64.901 28.051 43.685 1.00 0.00 C ATOM 1543 NE2 HIS A 102 64.218 29.207 43.636 1.00 0.00 N ATOM 0 H HIS A 102 61.770 26.548 44.388 1.00 0.00 H new ATOM 0 HA HIS A 102 60.968 26.468 47.154 1.00 0.00 H new ATOM 0 HB2 HIS A 102 62.746 28.276 47.306 1.00 0.00 H new ATOM 0 HB3 HIS A 102 63.211 26.625 46.948 1.00 0.00 H new ATOM 0 HD2 HIS A 102 62.530 29.909 44.888 1.00 0.00 H new ATOM 0 HE1 HIS A 102 65.690 27.770 43.003 1.00 0.00 H new ATOM 0 HE2 HIS A 102 64.364 29.974 42.980 1.00 0.00 H new ATOM 1551 N LEU A 103 59.515 28.362 47.545 1.00 0.00 N ATOM 1552 CA LEU A 103 58.468 29.346 47.861 1.00 0.00 C ATOM 1553 C LEU A 103 59.008 30.600 48.562 1.00 0.00 C ATOM 1554 O LEU A 103 58.255 31.454 49.022 1.00 0.00 O ATOM 1555 CB LEU A 103 57.399 28.652 48.714 1.00 0.00 C ATOM 1556 CG LEU A 103 56.637 27.533 48.006 1.00 0.00 C ATOM 1557 CD1 LEU A 103 55.841 26.784 49.067 1.00 0.00 C ATOM 1558 CD2 LEU A 103 55.728 28.068 46.901 1.00 0.00 C ATOM 0 H LEU A 103 59.636 27.678 48.292 1.00 0.00 H new ATOM 0 HA LEU A 103 58.038 29.703 46.925 1.00 0.00 H new ATOM 0 HB2 LEU A 103 57.876 28.241 49.604 1.00 0.00 H new ATOM 0 HB3 LEU A 103 56.683 29.401 49.053 1.00 0.00 H new ATOM 0 HG LEU A 103 57.339 26.862 47.511 1.00 0.00 H new ATOM 0 HD11 LEU A 103 55.282 25.974 48.598 1.00 0.00 H new ATOM 0 HD12 LEU A 103 56.523 26.371 49.810 1.00 0.00 H new ATOM 0 HD13 LEU A 103 55.148 27.470 49.553 1.00 0.00 H new ATOM 0 HD21 LEU A 103 55.206 27.238 46.425 1.00 0.00 H new ATOM 0 HD22 LEU A 103 55.000 28.756 47.330 1.00 0.00 H new ATOM 0 HD23 LEU A 103 56.329 28.593 46.158 1.00 0.00 H new ATOM 1570 N GLY A 104 60.330 30.683 48.657 1.00 0.00 N ATOM 1571 CA GLY A 104 61.100 31.772 49.215 1.00 0.00 C ATOM 1572 C GLY A 104 61.784 31.395 50.521 1.00 0.00 C ATOM 1573 O GLY A 104 61.915 30.228 50.898 1.00 0.00 O ATOM 0 H GLY A 104 60.930 29.931 48.319 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.853 32.088 48.493 1.00 0.00 H new ATOM 0 HA3 GLY A 104 60.444 32.626 49.386 1.00 0.00 H new ATOM 1577 N HIS A 105 62.295 32.429 51.167 1.00 0.00 N ATOM 1578 CA HIS A 105 63.244 32.323 52.266 1.00 0.00 C ATOM 1579 C HIS A 105 63.127 33.455 53.286 1.00 0.00 C ATOM 1580 O HIS A 105 62.511 34.493 53.065 1.00 0.00 O ATOM 1581 CB HIS A 105 64.663 32.218 51.696 1.00 0.00 C ATOM 1582 CG HIS A 105 64.915 33.016 50.442 1.00 0.00 C ATOM 1583 ND1 HIS A 105 64.585 34.328 50.205 1.00 0.00 N ATOM 1584 CD2 HIS A 105 65.386 32.505 49.270 1.00 0.00 C ATOM 1585 CE1 HIS A 105 64.863 34.609 48.924 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.355 33.524 48.301 1.00 0.00 N ATOM 0 H HIS A 105 62.055 33.393 50.936 1.00 0.00 H new ATOM 0 HA HIS A 105 63.004 31.418 52.824 1.00 0.00 H new ATOM 0 HB2 HIS A 105 65.369 32.542 52.461 1.00 0.00 H new ATOM 0 HB3 HIS A 105 64.877 31.169 51.489 1.00 0.00 H new ATOM 0 HD1 HIS A 105 64.195 34.978 50.887 1.00 0.00 H new ATOM 0 HD2 HIS A 105 65.725 31.492 49.112 1.00 0.00 H new ATOM 0 HE1 HIS A 105 64.713 35.572 48.458 1.00 0.00 H new ATOM 1594 N VAL A 106 63.726 33.212 54.443 1.00 0.00 N ATOM 1595 CA VAL A 106 63.533 33.953 55.691 1.00 0.00 C ATOM 1596 C VAL A 106 64.868 34.118 56.413 1.00 0.00 C ATOM 1597 O VAL A 106 65.658 33.178 56.552 1.00 0.00 O ATOM 1598 CB VAL A 106 62.496 33.242 56.584 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.494 33.705 58.051 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.063 33.406 56.077 1.00 0.00 C ATOM 0 H VAL A 106 64.398 32.451 54.547 1.00 0.00 H new ATOM 0 HA VAL A 106 63.147 34.946 55.460 1.00 0.00 H new ATOM 0 HB VAL A 106 62.815 32.201 56.533 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.735 33.153 58.606 1.00 0.00 H new ATOM 0 HG12 VAL A 106 63.473 33.519 58.493 1.00 0.00 H new ATOM 0 HG13 VAL A 106 62.273 34.771 58.096 1.00 0.00 H new ATOM 0 HG21 VAL A 106 60.378 32.884 56.746 1.00 0.00 H new ATOM 0 HG22 VAL A 106 60.806 34.465 56.049 1.00 0.00 H new ATOM 0 HG23 VAL A 106 60.981 32.986 55.075 1.00 0.00 H new ATOM 1610 N PHE A 107 65.087 35.339 56.891 1.00 0.00 N ATOM 1611 CA PHE A 107 66.277 35.746 57.654 1.00 0.00 C ATOM 1612 C PHE A 107 65.992 36.844 58.701 1.00 0.00 C ATOM 1613 O PHE A 107 65.050 37.623 58.527 1.00 0.00 O ATOM 1614 CB PHE A 107 67.384 36.192 56.683 1.00 0.00 C ATOM 1615 CG PHE A 107 67.224 37.557 56.029 1.00 0.00 C ATOM 1616 CD1 PHE A 107 66.233 37.775 55.051 1.00 0.00 C ATOM 1617 CD2 PHE A 107 68.114 38.600 56.356 1.00 0.00 C ATOM 1618 CE1 PHE A 107 66.137 39.023 54.406 1.00 0.00 C ATOM 1619 CE2 PHE A 107 68.020 39.844 55.709 1.00 0.00 C ATOM 1620 CZ PHE A 107 67.036 40.054 54.729 1.00 0.00 C ATOM 0 H PHE A 107 64.423 36.102 56.757 1.00 0.00 H new ATOM 0 HA PHE A 107 66.606 34.875 58.221 1.00 0.00 H new ATOM 0 HB2 PHE A 107 68.331 36.185 57.223 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.462 35.445 55.893 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.545 36.983 54.795 1.00 0.00 H new ATOM 0 HD2 PHE A 107 68.873 38.442 57.108 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.372 39.188 53.662 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.705 40.639 55.965 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.970 41.007 54.224 1.00 0.00 H new ATOM 1630 N PRO A 108 66.789 36.944 59.785 1.00 0.00 N ATOM 1631 CA PRO A 108 66.840 38.129 60.640 1.00 0.00 C ATOM 1632 C PRO A 108 67.745 39.189 60.003 1.00 0.00 C ATOM 1633 O PRO A 108 68.882 38.903 59.639 1.00 0.00 O ATOM 1634 CB PRO A 108 67.391 37.630 61.978 1.00 0.00 C ATOM 1635 CG PRO A 108 68.343 36.509 61.556 1.00 0.00 C ATOM 1636 CD PRO A 108 67.704 35.926 60.291 1.00 0.00 C ATOM 0 HA PRO A 108 65.867 38.602 60.774 1.00 0.00 H new ATOM 0 HB2 PRO A 108 67.911 38.419 62.521 1.00 0.00 H new ATOM 0 HB3 PRO A 108 66.598 37.263 62.630 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.344 36.891 61.356 1.00 0.00 H new ATOM 0 HG3 PRO A 108 68.440 35.755 62.337 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.464 35.683 59.548 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.171 35.002 60.515 1.00 0.00 H new ATOM 1644 N ASP A 109 67.271 40.430 59.886 1.00 0.00 N ATOM 1645 CA ASP A 109 68.026 41.485 59.176 1.00 0.00 C ATOM 1646 C ASP A 109 69.122 42.189 59.991 1.00 0.00 C ATOM 1647 O ASP A 109 69.867 43.023 59.471 1.00 0.00 O ATOM 1648 CB ASP A 109 67.065 42.470 58.506 1.00 0.00 C ATOM 1649 CG ASP A 109 66.272 43.342 59.484 1.00 0.00 C ATOM 1650 OD1 ASP A 109 66.887 44.066 60.296 1.00 0.00 O ATOM 1651 OD2 ASP A 109 65.027 43.332 59.359 1.00 0.00 O ATOM 0 H ASP A 109 66.376 40.736 60.267 1.00 0.00 H new ATOM 0 HA ASP A 109 68.597 40.964 58.407 1.00 0.00 H new ATOM 0 HB2 ASP A 109 67.634 43.118 57.839 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.364 41.911 57.886 1.00 0.00 H new ATOM 1656 N GLY A 110 69.240 41.826 61.261 1.00 0.00 N ATOM 1657 CA GLY A 110 70.090 42.487 62.253 1.00 0.00 C ATOM 1658 C GLY A 110 69.680 42.248 63.715 1.00 0.00 C ATOM 1659 O GLY A 110 70.528 41.804 64.492 1.00 0.00 O ATOM 0 H GLY A 110 68.728 41.033 61.647 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.116 42.145 62.118 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.084 43.560 62.059 1.00 0.00 H new ATOM 1663 N PRO A 111 68.423 42.526 64.124 1.00 0.00 N ATOM 1664 CA PRO A 111 67.986 42.428 65.523 1.00 0.00 C ATOM 1665 C PRO A 111 67.722 40.970 65.966 1.00 0.00 C ATOM 1666 O PRO A 111 68.129 40.013 65.307 1.00 0.00 O ATOM 1667 CB PRO A 111 66.744 43.335 65.587 1.00 0.00 C ATOM 1668 CG PRO A 111 66.118 43.159 64.209 1.00 0.00 C ATOM 1669 CD PRO A 111 67.343 43.072 63.305 1.00 0.00 C ATOM 0 HA PRO A 111 68.753 42.751 66.227 1.00 0.00 H new ATOM 0 HB2 PRO A 111 66.063 43.030 66.381 1.00 0.00 H new ATOM 0 HB3 PRO A 111 67.013 44.374 65.778 1.00 0.00 H new ATOM 0 HG2 PRO A 111 65.506 42.259 64.152 1.00 0.00 H new ATOM 0 HG3 PRO A 111 65.476 43.999 63.944 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.146 42.432 62.445 1.00 0.00 H new ATOM 0 HD3 PRO A 111 67.609 44.055 62.916 1.00 0.00 H new ATOM 1677 N LYS A 112 67.032 40.804 67.107 1.00 0.00 N ATOM 1678 CA LYS A 112 66.553 39.510 67.635 1.00 0.00 C ATOM 1679 C LYS A 112 65.749 38.721 66.580 1.00 0.00 C ATOM 1680 O LYS A 112 65.155 39.343 65.696 1.00 0.00 O ATOM 1681 CB LYS A 112 65.703 39.750 68.904 1.00 0.00 C ATOM 1682 CG LYS A 112 66.468 39.516 70.218 1.00 0.00 C ATOM 1683 CD LYS A 112 67.612 40.499 70.497 1.00 0.00 C ATOM 1684 CE LYS A 112 67.055 41.764 71.163 1.00 0.00 C ATOM 1685 NZ LYS A 112 66.798 41.553 72.610 1.00 0.00 N ATOM 0 H LYS A 112 66.783 41.590 67.708 1.00 0.00 H new ATOM 0 HA LYS A 112 67.422 38.905 67.891 1.00 0.00 H new ATOM 0 HB2 LYS A 112 65.328 40.773 68.890 1.00 0.00 H new ATOM 0 HB3 LYS A 112 64.835 39.092 68.878 1.00 0.00 H new ATOM 0 HG2 LYS A 112 65.760 39.565 71.045 1.00 0.00 H new ATOM 0 HG3 LYS A 112 66.875 38.505 70.207 1.00 0.00 H new ATOM 0 HD2 LYS A 112 68.355 40.033 71.144 1.00 0.00 H new ATOM 0 HD3 LYS A 112 68.117 40.758 69.566 1.00 0.00 H new ATOM 0 HE2 LYS A 112 67.761 42.584 71.034 1.00 0.00 H new ATOM 0 HE3 LYS A 112 66.130 42.059 70.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 66.586 42.465 73.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 65.988 40.911 72.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 67.640 41.134 73.055 1.00 0.00 H new ATOM 1699 N PRO A 113 65.623 37.381 66.701 1.00 0.00 N ATOM 1700 CA PRO A 113 64.792 36.570 65.796 1.00 0.00 C ATOM 1701 C PRO A 113 63.317 37.012 65.756 1.00 0.00 C ATOM 1702 O PRO A 113 62.611 36.752 64.784 1.00 0.00 O ATOM 1703 CB PRO A 113 64.941 35.125 66.288 1.00 0.00 C ATOM 1704 CG PRO A 113 65.309 35.276 67.762 1.00 0.00 C ATOM 1705 CD PRO A 113 66.170 36.536 67.757 1.00 0.00 C ATOM 0 HA PRO A 113 65.127 36.688 64.766 1.00 0.00 H new ATOM 0 HB2 PRO A 113 64.016 34.563 66.163 1.00 0.00 H new ATOM 0 HB3 PRO A 113 65.715 34.592 65.735 1.00 0.00 H new ATOM 0 HG2 PRO A 113 64.426 35.389 68.392 1.00 0.00 H new ATOM 0 HG3 PRO A 113 65.857 34.411 68.135 1.00 0.00 H new ATOM 0 HD2 PRO A 113 66.132 37.041 68.722 1.00 0.00 H new ATOM 0 HD3 PRO A 113 67.216 36.296 67.564 1.00 0.00 H new ATOM 1713 N THR A 114 62.870 37.781 66.754 1.00 0.00 N ATOM 1714 CA THR A 114 61.568 38.477 66.786 1.00 0.00 C ATOM 1715 C THR A 114 61.351 39.418 65.585 1.00 0.00 C ATOM 1716 O THR A 114 60.210 39.725 65.233 1.00 0.00 O ATOM 1717 CB THR A 114 61.451 39.318 68.079 1.00 0.00 C ATOM 1718 OG1 THR A 114 62.308 38.832 69.095 1.00 0.00 O ATOM 1719 CG2 THR A 114 60.028 39.329 68.626 1.00 0.00 C ATOM 0 H THR A 114 63.422 37.946 67.596 1.00 0.00 H new ATOM 0 HA THR A 114 60.808 37.697 66.746 1.00 0.00 H new ATOM 0 HB THR A 114 61.741 40.331 67.802 1.00 0.00 H new ATOM 0 HG1 THR A 114 62.211 39.386 69.897 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.992 39.931 69.534 1.00 0.00 H new ATOM 0 HG22 THR A 114 59.355 39.755 67.881 1.00 0.00 H new ATOM 0 HG23 THR A 114 59.718 38.309 68.854 1.00 0.00 H new ATOM 1727 N GLY A 115 62.440 39.873 64.954 1.00 0.00 N ATOM 1728 CA GLY A 115 62.497 40.734 63.773 1.00 0.00 C ATOM 1729 C GLY A 115 62.821 40.023 62.456 1.00 0.00 C ATOM 1730 O GLY A 115 63.267 40.660 61.505 1.00 0.00 O ATOM 0 H GLY A 115 63.374 39.629 65.283 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.537 41.240 63.667 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.247 41.506 63.943 1.00 0.00 H new ATOM 1734 N GLN A 116 62.668 38.702 62.395 1.00 0.00 N ATOM 1735 CA GLN A 116 62.800 37.946 61.147 1.00 0.00 C ATOM 1736 C GLN A 116 61.808 38.408 60.070 1.00 0.00 C ATOM 1737 O GLN A 116 60.630 38.645 60.342 1.00 0.00 O ATOM 1738 CB GLN A 116 62.655 36.451 61.423 1.00 0.00 C ATOM 1739 CG GLN A 116 63.988 35.898 61.924 1.00 0.00 C ATOM 1740 CD GLN A 116 63.925 34.435 62.316 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.511 33.997 63.288 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.270 33.618 61.529 1.00 0.00 N ATOM 0 H GLN A 116 62.449 38.124 63.207 1.00 0.00 H new ATOM 0 HA GLN A 116 63.796 38.140 60.750 1.00 0.00 H new ATOM 0 HB2 GLN A 116 61.875 36.281 62.166 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.350 35.930 60.515 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.741 36.026 61.146 1.00 0.00 H new ATOM 0 HG3 GLN A 116 64.315 36.483 62.784 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.777 33.981 60.713 1.00 0.00 H new ATOM 0 HE22 GLN A 116 63.253 32.619 61.732 1.00 0.00 H new ATOM 1751 N ARG A 117 62.283 38.466 58.822 1.00 0.00 N ATOM 1752 CA ARG A 117 61.534 38.857 57.632 1.00 0.00 C ATOM 1753 C ARG A 117 61.615 37.762 56.571 1.00 0.00 C ATOM 1754 O ARG A 117 62.626 37.074 56.431 1.00 0.00 O ATOM 1755 CB ARG A 117 62.015 40.229 57.116 1.00 0.00 C ATOM 1756 CG ARG A 117 63.505 40.274 56.722 1.00 0.00 C ATOM 1757 CD ARG A 117 63.870 41.566 55.978 1.00 0.00 C ATOM 1758 NE ARG A 117 63.890 42.749 56.855 1.00 0.00 N ATOM 1759 CZ ARG A 117 63.955 44.011 56.483 1.00 0.00 C ATOM 1760 NH1 ARG A 117 63.901 44.406 55.243 1.00 0.00 N ATOM 1761 NH2 ARG A 117 64.114 44.935 57.375 1.00 0.00 N ATOM 0 H ARG A 117 63.251 38.228 58.607 1.00 0.00 H new ATOM 0 HA ARG A 117 60.481 38.972 57.889 1.00 0.00 H new ATOM 0 HB2 ARG A 117 61.414 40.509 56.251 1.00 0.00 H new ATOM 0 HB3 ARG A 117 61.833 40.978 57.887 1.00 0.00 H new ATOM 0 HG2 ARG A 117 64.119 40.187 57.619 1.00 0.00 H new ATOM 0 HG3 ARG A 117 63.738 39.416 56.092 1.00 0.00 H new ATOM 0 HD2 ARG A 117 64.849 41.448 55.515 1.00 0.00 H new ATOM 0 HD3 ARG A 117 63.154 41.730 55.173 1.00 0.00 H new ATOM 0 HE ARG A 117 63.849 42.572 57.859 1.00 0.00 H new ATOM 0 HH11 ARG A 117 63.803 43.721 54.493 1.00 0.00 H new ATOM 0 HH12 ARG A 117 63.957 45.400 55.022 1.00 0.00 H new ATOM 0 HH21 ARG A 117 64.188 44.685 58.361 1.00 0.00 H new ATOM 0 HH22 ARG A 117 64.165 45.914 57.092 1.00 0.00 H new ATOM 1775 N PHE A 118 60.537 37.635 55.814 1.00 0.00 N ATOM 1776 CA PHE A 118 60.427 36.770 54.638 1.00 0.00 C ATOM 1777 C PHE A 118 60.719 37.593 53.380 1.00 0.00 C ATOM 1778 O PHE A 118 60.131 38.655 53.179 1.00 0.00 O ATOM 1779 CB PHE A 118 59.021 36.150 54.624 1.00 0.00 C ATOM 1780 CG PHE A 118 58.797 34.889 53.799 1.00 0.00 C ATOM 1781 CD1 PHE A 118 59.078 34.860 52.419 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.223 33.750 54.404 1.00 0.00 C ATOM 1783 CE1 PHE A 118 58.854 33.692 51.672 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.007 32.577 53.657 1.00 0.00 C ATOM 1785 CZ PHE A 118 58.332 32.546 52.290 1.00 0.00 C ATOM 0 H PHE A 118 59.677 38.150 56.005 1.00 0.00 H new ATOM 0 HA PHE A 118 61.154 35.958 54.669 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.746 35.926 55.655 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.326 36.910 54.266 1.00 0.00 H new ATOM 0 HD1 PHE A 118 59.468 35.742 51.932 1.00 0.00 H new ATOM 0 HD2 PHE A 118 57.948 33.779 55.448 1.00 0.00 H new ATOM 0 HE1 PHE A 118 59.085 33.676 50.617 1.00 0.00 H new ATOM 0 HE2 PHE A 118 57.592 31.701 54.134 1.00 0.00 H new ATOM 0 HZ PHE A 118 58.180 31.643 51.717 1.00 0.00 H new ATOM 1795 N CYS A 119 61.610 37.094 52.531 1.00 0.00 N ATOM 1796 CA CYS A 119 61.910 37.645 51.207 1.00 0.00 C ATOM 1797 C CYS A 119 61.646 36.606 50.103 1.00 0.00 C ATOM 1798 O CYS A 119 61.887 35.411 50.284 1.00 0.00 O ATOM 1799 CB CYS A 119 63.337 38.207 51.179 1.00 0.00 C ATOM 1800 SG CYS A 119 64.581 37.025 51.774 1.00 0.00 S ATOM 0 H CYS A 119 62.165 36.266 52.749 1.00 0.00 H new ATOM 0 HA CYS A 119 61.237 38.477 51.003 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.584 38.503 50.160 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.378 39.108 51.791 1.00 0.00 H new ATOM 0 HG CYS A 119 65.176 37.512 52.822 1.00 0.00 H new ATOM 1806 N ILE A 120 61.166 37.060 48.946 1.00 0.00 N ATOM 1807 CA ILE A 120 60.849 36.204 47.791 1.00 0.00 C ATOM 1808 C ILE A 120 61.618 36.657 46.539 1.00 0.00 C ATOM 1809 O ILE A 120 62.001 37.816 46.415 1.00 0.00 O ATOM 1810 CB ILE A 120 59.311 36.153 47.579 1.00 0.00 C ATOM 1811 CG1 ILE A 120 58.820 35.176 46.489 1.00 0.00 C ATOM 1812 CG2 ILE A 120 58.730 37.537 47.252 1.00 0.00 C ATOM 1813 CD1 ILE A 120 59.263 33.729 46.711 1.00 0.00 C ATOM 0 H ILE A 120 60.981 38.049 48.777 1.00 0.00 H new ATOM 0 HA ILE A 120 61.181 35.185 47.992 1.00 0.00 H new ATOM 0 HB ILE A 120 58.950 35.784 48.539 1.00 0.00 H new ATOM 0 HG12 ILE A 120 57.731 35.210 46.447 1.00 0.00 H new ATOM 0 HG13 ILE A 120 59.187 35.514 45.520 1.00 0.00 H new ATOM 0 HG21 ILE A 120 57.652 37.455 47.112 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.938 38.222 48.074 1.00 0.00 H new ATOM 0 HG23 ILE A 120 59.187 37.917 46.338 1.00 0.00 H new ATOM 0 HD11 ILE A 120 58.880 33.103 45.905 1.00 0.00 H new ATOM 0 HD12 ILE A 120 60.352 33.679 46.722 1.00 0.00 H new ATOM 0 HD13 ILE A 120 58.874 33.371 47.664 1.00 0.00 H new ATOM 1825 N ASN A 121 61.823 35.728 45.608 1.00 0.00 N ATOM 1826 CA ASN A 121 62.166 35.975 44.210 1.00 0.00 C ATOM 1827 C ASN A 121 61.144 35.207 43.339 1.00 0.00 C ATOM 1828 O ASN A 121 60.817 34.062 43.654 1.00 0.00 O ATOM 1829 CB ASN A 121 63.635 35.572 43.963 1.00 0.00 C ATOM 1830 CG ASN A 121 63.905 34.080 43.977 1.00 0.00 C ATOM 1831 OD1 ASN A 121 64.151 33.472 42.954 1.00 0.00 O ATOM 1832 ND2 ASN A 121 63.952 33.461 45.135 1.00 0.00 N ATOM 0 H ASN A 121 61.751 34.733 45.819 1.00 0.00 H new ATOM 0 HA ASN A 121 62.102 37.030 43.944 1.00 0.00 H new ATOM 0 HB2 ASN A 121 63.948 35.973 42.999 1.00 0.00 H new ATOM 0 HB3 ASN A 121 64.258 36.045 44.722 1.00 0.00 H new ATOM 0 HD21 ASN A 121 64.195 32.471 45.175 1.00 0.00 H new ATOM 0 HD22 ASN A 121 63.746 33.970 45.994 1.00 0.00 H new ATOM 1839 N SER A 122 60.583 35.826 42.297 1.00 0.00 N ATOM 1840 CA SER A 122 59.366 35.352 41.598 1.00 0.00 C ATOM 1841 C SER A 122 59.627 34.245 40.558 1.00 0.00 C ATOM 1842 O SER A 122 59.208 34.342 39.404 1.00 0.00 O ATOM 1843 CB SER A 122 58.597 36.533 40.987 1.00 0.00 C ATOM 1844 OG SER A 122 58.390 37.552 41.948 1.00 0.00 O ATOM 0 H SER A 122 60.962 36.687 41.902 1.00 0.00 H new ATOM 0 HA SER A 122 58.744 34.882 42.360 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.152 36.934 40.139 1.00 0.00 H new ATOM 0 HB3 SER A 122 57.637 36.188 40.604 1.00 0.00 H new ATOM 0 HG SER A 122 57.900 38.295 41.537 1.00 0.00 H new ATOM 1850 N VAL A 123 60.343 33.196 40.972 1.00 0.00 N ATOM 1851 CA VAL A 123 61.005 32.167 40.146 1.00 0.00 C ATOM 1852 C VAL A 123 60.112 31.505 39.083 1.00 0.00 C ATOM 1853 O VAL A 123 60.391 31.576 37.885 1.00 0.00 O ATOM 1854 CB VAL A 123 61.691 31.134 41.083 1.00 0.00 C ATOM 1855 CG1 VAL A 123 60.776 30.519 42.158 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.348 29.973 40.330 1.00 0.00 C ATOM 0 H VAL A 123 60.490 33.026 41.967 1.00 0.00 H new ATOM 0 HA VAL A 123 61.757 32.676 39.543 1.00 0.00 H new ATOM 0 HB VAL A 123 62.446 31.747 41.576 1.00 0.00 H new ATOM 0 HG11 VAL A 123 61.346 29.812 42.760 1.00 0.00 H new ATOM 0 HG12 VAL A 123 60.386 31.309 42.799 1.00 0.00 H new ATOM 0 HG13 VAL A 123 59.947 30.000 41.677 1.00 0.00 H new ATOM 0 HG21 VAL A 123 62.808 29.290 41.044 1.00 0.00 H new ATOM 0 HG22 VAL A 123 61.593 29.440 39.753 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.112 30.362 39.657 1.00 0.00 H new ATOM 1866 N ALA A 124 59.032 30.864 39.518 1.00 0.00 N ATOM 1867 CA ALA A 124 58.205 29.963 38.699 1.00 0.00 C ATOM 1868 C ALA A 124 56.716 29.923 39.115 1.00 0.00 C ATOM 1869 O ALA A 124 56.040 28.916 38.916 1.00 0.00 O ATOM 1870 CB ALA A 124 58.851 28.568 38.718 1.00 0.00 C ATOM 0 H ALA A 124 58.692 30.955 40.476 1.00 0.00 H new ATOM 0 HA ALA A 124 58.182 30.353 37.681 1.00 0.00 H new ATOM 0 HB1 ALA A 124 58.254 27.882 38.116 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.859 28.628 38.307 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.899 28.203 39.744 1.00 0.00 H new ATOM 1876 N LEU A 125 56.203 31.003 39.711 1.00 0.00 N ATOM 1877 CA LEU A 125 54.824 31.117 40.193 1.00 0.00 C ATOM 1878 C LEU A 125 54.084 32.228 39.436 1.00 0.00 C ATOM 1879 O LEU A 125 54.695 33.163 38.914 1.00 0.00 O ATOM 1880 CB LEU A 125 54.807 31.379 41.711 1.00 0.00 C ATOM 1881 CG LEU A 125 55.629 30.411 42.587 1.00 0.00 C ATOM 1882 CD1 LEU A 125 55.582 30.883 44.040 1.00 0.00 C ATOM 1883 CD2 LEU A 125 55.114 28.975 42.527 1.00 0.00 C ATOM 0 H LEU A 125 56.752 31.847 39.876 1.00 0.00 H new ATOM 0 HA LEU A 125 54.308 30.176 40.005 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.172 32.391 41.886 1.00 0.00 H new ATOM 0 HB3 LEU A 125 53.772 31.350 42.050 1.00 0.00 H new ATOM 0 HG LEU A 125 56.647 30.416 42.199 1.00 0.00 H new ATOM 0 HD11 LEU A 125 56.162 30.202 44.663 1.00 0.00 H new ATOM 0 HD12 LEU A 125 56.003 31.886 44.111 1.00 0.00 H new ATOM 0 HD13 LEU A 125 54.548 30.898 44.384 1.00 0.00 H new ATOM 0 HD21 LEU A 125 55.731 28.340 43.163 1.00 0.00 H new ATOM 0 HD22 LEU A 125 54.082 28.944 42.876 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.161 28.614 41.499 1.00 0.00 H new ATOM 1895 N LYS A 126 52.756 32.147 39.408 1.00 0.00 N ATOM 1896 CA LYS A 126 51.844 33.164 38.869 1.00 0.00 C ATOM 1897 C LYS A 126 51.148 33.962 39.976 1.00 0.00 C ATOM 1898 O LYS A 126 51.175 33.601 41.150 1.00 0.00 O ATOM 1899 CB LYS A 126 50.834 32.493 37.928 1.00 0.00 C ATOM 1900 CG LYS A 126 50.857 33.094 36.520 1.00 0.00 C ATOM 1901 CD LYS A 126 51.985 32.596 35.609 1.00 0.00 C ATOM 1902 CE LYS A 126 53.325 33.276 35.900 1.00 0.00 C ATOM 1903 NZ LYS A 126 54.259 33.147 34.760 1.00 0.00 N ATOM 0 H LYS A 126 52.260 31.336 39.776 1.00 0.00 H new ATOM 0 HA LYS A 126 52.429 33.888 38.302 1.00 0.00 H new ATOM 0 HB2 LYS A 126 51.051 31.426 37.868 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.832 32.592 38.346 1.00 0.00 H new ATOM 0 HG2 LYS A 126 49.903 32.882 36.037 1.00 0.00 H new ATOM 0 HG3 LYS A 126 50.936 34.178 36.607 1.00 0.00 H new ATOM 0 HD2 LYS A 126 52.095 31.518 35.731 1.00 0.00 H new ATOM 0 HD3 LYS A 126 51.711 32.773 34.569 1.00 0.00 H new ATOM 0 HE2 LYS A 126 53.159 34.331 36.118 1.00 0.00 H new ATOM 0 HE3 LYS A 126 53.773 32.834 36.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 55.156 33.619 34.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 54.436 32.140 34.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 53.842 33.591 33.917 1.00 0.00 H new ATOM 1917 N PHE A 127 50.527 35.076 39.596 1.00 0.00 N ATOM 1918 CA PHE A 127 49.766 35.945 40.488 1.00 0.00 C ATOM 1919 C PHE A 127 48.545 36.558 39.796 1.00 0.00 C ATOM 1920 O PHE A 127 48.532 36.741 38.577 1.00 0.00 O ATOM 1921 CB PHE A 127 50.698 37.016 41.071 1.00 0.00 C ATOM 1922 CG PHE A 127 51.611 37.704 40.068 1.00 0.00 C ATOM 1923 CD1 PHE A 127 51.144 38.795 39.309 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.924 37.232 39.876 1.00 0.00 C ATOM 1925 CE1 PHE A 127 51.988 39.411 38.368 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.769 37.849 38.936 1.00 0.00 C ATOM 1927 CZ PHE A 127 53.300 38.939 38.182 1.00 0.00 C ATOM 0 H PHE A 127 50.540 35.408 38.632 1.00 0.00 H new ATOM 0 HA PHE A 127 49.369 35.343 41.306 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.089 37.775 41.562 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.316 36.555 41.842 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.137 39.159 39.450 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.284 36.393 40.453 1.00 0.00 H new ATOM 0 HE1 PHE A 127 51.628 40.248 37.787 1.00 0.00 H new ATOM 0 HE2 PHE A 127 54.776 37.486 38.794 1.00 0.00 H new ATOM 0 HZ PHE A 127 53.947 39.414 37.460 1.00 0.00 H new ATOM 1937 N LYS A 128 47.521 36.885 40.592 1.00 0.00 N ATOM 1938 CA LYS A 128 46.278 37.564 40.185 1.00 0.00 C ATOM 1939 C LYS A 128 45.870 38.597 41.252 1.00 0.00 C ATOM 1940 O LYS A 128 46.226 38.423 42.422 1.00 0.00 O ATOM 1941 CB LYS A 128 45.153 36.530 39.956 1.00 0.00 C ATOM 1942 CG LYS A 128 45.442 35.457 38.886 1.00 0.00 C ATOM 1943 CD LYS A 128 45.525 36.011 37.454 1.00 0.00 C ATOM 1944 CE LYS A 128 46.193 34.984 36.534 1.00 0.00 C ATOM 1945 NZ LYS A 128 46.343 35.510 35.157 1.00 0.00 N ATOM 0 H LYS A 128 47.534 36.674 41.590 1.00 0.00 H new ATOM 0 HA LYS A 128 46.449 38.090 39.246 1.00 0.00 H new ATOM 0 HB2 LYS A 128 44.947 36.028 40.902 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.245 37.064 39.674 1.00 0.00 H new ATOM 0 HG2 LYS A 128 46.382 34.961 39.128 1.00 0.00 H new ATOM 0 HG3 LYS A 128 44.661 34.698 38.927 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.526 36.245 37.087 1.00 0.00 H new ATOM 0 HD3 LYS A 128 46.093 36.941 37.447 1.00 0.00 H new ATOM 0 HE2 LYS A 128 47.172 34.719 36.933 1.00 0.00 H new ATOM 0 HE3 LYS A 128 45.599 34.070 36.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 46.798 34.792 34.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 45.406 35.740 34.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 46.930 36.368 35.175 1.00 0.00 H new ATOM 1959 N PRO A 129 45.161 39.686 40.899 1.00 0.00 N ATOM 1960 CA PRO A 129 44.767 40.716 41.860 1.00 0.00 C ATOM 1961 C PRO A 129 43.608 40.276 42.767 1.00 0.00 C ATOM 1962 O PRO A 129 42.996 39.230 42.563 1.00 0.00 O ATOM 1963 CB PRO A 129 44.410 41.941 41.019 1.00 0.00 C ATOM 1964 CG PRO A 129 43.872 41.310 39.738 1.00 0.00 C ATOM 1965 CD PRO A 129 44.734 40.060 39.558 1.00 0.00 C ATOM 0 HA PRO A 129 45.578 40.929 42.556 1.00 0.00 H new ATOM 0 HB2 PRO A 129 43.664 42.567 41.508 1.00 0.00 H new ATOM 0 HB3 PRO A 129 45.279 42.571 40.828 1.00 0.00 H new ATOM 0 HG2 PRO A 129 42.816 41.058 39.829 1.00 0.00 H new ATOM 0 HG3 PRO A 129 43.966 41.987 38.889 1.00 0.00 H new ATOM 0 HD2 PRO A 129 44.167 39.256 39.088 1.00 0.00 H new ATOM 0 HD3 PRO A 129 45.591 40.263 38.916 1.00 0.00 H new ATOM 1973 N SER A 130 43.317 41.078 43.792 1.00 0.00 N ATOM 1974 CA SER A 130 42.389 40.723 44.869 1.00 0.00 C ATOM 1975 C SER A 130 40.960 41.153 44.555 1.00 0.00 C ATOM 1976 O SER A 130 40.010 40.401 44.733 1.00 0.00 O ATOM 1977 CB SER A 130 42.868 41.380 46.149 1.00 0.00 C ATOM 1978 OG SER A 130 43.503 40.469 47.021 1.00 0.00 O ATOM 0 H SER A 130 43.725 42.007 43.900 1.00 0.00 H new ATOM 0 HA SER A 130 42.375 39.639 44.979 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.561 42.185 45.903 1.00 0.00 H new ATOM 0 HB3 SER A 130 42.019 41.835 46.660 1.00 0.00 H new ATOM 0 HG SER A 130 43.652 40.897 47.890 1.00 0.00 H new ATOM 1984 N LYS A 131 40.826 42.392 44.078 1.00 0.00 N ATOM 1985 CA LYS A 131 39.592 43.053 43.677 1.00 0.00 C ATOM 1986 C LYS A 131 39.114 42.607 42.276 1.00 0.00 C ATOM 1987 O LYS A 131 39.942 42.163 41.473 1.00 0.00 O ATOM 1988 CB LYS A 131 39.800 44.578 43.728 1.00 0.00 C ATOM 1989 CG LYS A 131 40.276 45.130 45.090 1.00 0.00 C ATOM 1990 CD LYS A 131 39.381 44.815 46.303 1.00 0.00 C ATOM 1991 CE LYS A 131 37.932 45.237 46.036 1.00 0.00 C ATOM 1992 NZ LYS A 131 37.188 45.561 47.277 1.00 0.00 N ATOM 0 H LYS A 131 41.637 42.999 43.955 1.00 0.00 H new ATOM 0 HA LYS A 131 38.806 42.764 44.375 1.00 0.00 H new ATOM 0 HB2 LYS A 131 40.529 44.855 42.967 1.00 0.00 H new ATOM 0 HB3 LYS A 131 38.862 45.066 43.464 1.00 0.00 H new ATOM 0 HG2 LYS A 131 41.273 44.737 45.289 1.00 0.00 H new ATOM 0 HG3 LYS A 131 40.371 46.213 45.006 1.00 0.00 H new ATOM 0 HD2 LYS A 131 39.419 43.748 46.521 1.00 0.00 H new ATOM 0 HD3 LYS A 131 39.759 45.334 47.184 1.00 0.00 H new ATOM 0 HE2 LYS A 131 37.927 46.106 45.378 1.00 0.00 H new ATOM 0 HE3 LYS A 131 37.416 44.435 45.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 36.215 45.839 47.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 37.166 44.726 47.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 37.660 46.345 47.770 1.00 0.00 H new