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 38 TYR OH : rot -19:sc= 0.122 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.121 USER MOD Set 2.1: A 40 CYS SG : rot 153:sc= -0.986! USER MOD Set 2.2: A 43 CYS SG : rot -22:sc= -4.33! USER MOD Set 2.3: A 45 SER OG : rot 109:sc= 1.25 USER MOD Set 2.4: A 96 CYS SG : rot 140:sc= 0.153 USER MOD Set 2.5: A 98 GLN : amide:sc= 2.15 K(o=-0.34,f=-7.1) USER MOD Set 2.6: A 99 CYS SG : rot -34:sc= 1.42 USER MOD Set 3.1: A 37 MET CE :methyl 180:sc= -0.0089 (180deg=-0.0089) USER MOD Set 3.2: A 39 HIS : no HD1:sc= -0.548 X(o=-0.56,f=-0.84) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= 1.26 (180deg=0.194) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 1.09 (180deg=0.944) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00462 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc=0.000568 USER MOD Single : A 92 MET CE :methyl -138:sc= 0 (180deg=-0.0335) USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 102 HIS : no HE2:sc= 0.656 K(o=0.66,f=-2.8!) USER MOD Single : A 105 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.83) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 116 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.69) USER MOD Single : A 119 CYS SG : rot 180:sc= -0.254 USER MOD Single : A 121 ASN : amide:sc= 1.59 K(o=1.6,f=-0.65) 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 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 46.650 44.098 47.691 1.00 0.00 N ATOM 559 CA THR A 35 46.110 42.807 48.096 1.00 0.00 C ATOM 560 C THR A 35 45.935 41.910 46.881 1.00 0.00 C ATOM 561 O THR A 35 45.939 42.361 45.737 1.00 0.00 O ATOM 562 CB THR A 35 44.803 42.985 48.879 1.00 0.00 C ATOM 563 OG1 THR A 35 44.253 41.749 49.274 1.00 0.00 O ATOM 564 CG2 THR A 35 43.718 43.774 48.156 1.00 0.00 C ATOM 0 HA THR A 35 46.816 42.319 48.767 1.00 0.00 H new ATOM 0 HB THR A 35 45.111 43.570 49.746 1.00 0.00 H new ATOM 0 HG1 THR A 35 43.423 41.904 49.771 1.00 0.00 H new ATOM 0 HG21 THR A 35 42.835 43.845 48.791 1.00 0.00 H new ATOM 0 HG22 THR A 35 44.085 44.776 47.932 1.00 0.00 H new ATOM 0 HG23 THR A 35 43.457 43.267 47.227 1.00 0.00 H new ATOM 572 N GLY A 36 45.757 40.623 47.139 1.00 0.00 N ATOM 573 CA GLY A 36 45.663 39.560 46.132 1.00 0.00 C ATOM 574 C GLY A 36 46.271 38.252 46.616 1.00 0.00 C ATOM 575 O GLY A 36 46.363 38.030 47.824 1.00 0.00 O ATOM 0 H GLY A 36 45.670 40.270 48.092 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.616 39.398 45.874 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.170 39.879 45.221 1.00 0.00 H new ATOM 579 N MET A 37 46.723 37.394 45.698 1.00 0.00 N ATOM 580 CA MET A 37 47.316 36.099 46.048 1.00 0.00 C ATOM 581 C MET A 37 48.229 35.500 44.973 1.00 0.00 C ATOM 582 O MET A 37 48.182 35.850 43.794 1.00 0.00 O ATOM 583 CB MET A 37 46.215 35.100 46.441 1.00 0.00 C ATOM 584 CG MET A 37 45.207 34.950 45.304 1.00 0.00 C ATOM 585 SD MET A 37 43.975 33.649 45.530 1.00 0.00 S ATOM 586 CE MET A 37 44.973 32.241 45.001 1.00 0.00 C ATOM 0 H MET A 37 46.689 37.575 44.695 1.00 0.00 H new ATOM 0 HA MET A 37 47.968 36.295 46.899 1.00 0.00 H new ATOM 0 HB2 MET A 37 46.659 34.132 46.673 1.00 0.00 H new ATOM 0 HB3 MET A 37 45.708 35.443 47.343 1.00 0.00 H new ATOM 0 HG2 MET A 37 44.688 35.900 45.173 1.00 0.00 H new ATOM 0 HG3 MET A 37 45.752 34.755 44.381 1.00 0.00 H new ATOM 0 HE1 MET A 37 44.380 31.329 45.069 1.00 0.00 H new ATOM 0 HE2 MET A 37 45.293 32.389 43.970 1.00 0.00 H new ATOM 0 HE3 MET A 37 45.849 32.154 45.644 1.00 0.00 H new ATOM 596 N TYR A 38 49.019 34.539 45.438 1.00 0.00 N ATOM 597 CA TYR A 38 50.098 33.833 44.752 1.00 0.00 C ATOM 598 C TYR A 38 49.885 32.314 44.821 1.00 0.00 C ATOM 599 O TYR A 38 49.410 31.757 45.818 1.00 0.00 O ATOM 600 CB TYR A 38 51.467 34.185 45.365 1.00 0.00 C ATOM 601 CG TYR A 38 51.818 35.662 45.475 1.00 0.00 C ATOM 602 CD1 TYR A 38 51.252 36.432 46.508 1.00 0.00 C ATOM 603 CD2 TYR A 38 52.742 36.261 44.595 1.00 0.00 C ATOM 604 CE1 TYR A 38 51.534 37.804 46.599 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.012 37.643 44.675 1.00 0.00 C ATOM 606 CZ TYR A 38 52.383 38.426 45.666 1.00 0.00 C ATOM 607 OH TYR A 38 52.580 39.769 45.738 1.00 0.00 O ATOM 0 H TYR A 38 48.911 34.202 46.395 1.00 0.00 H new ATOM 0 HA TYR A 38 50.085 34.150 43.709 1.00 0.00 H new ATOM 0 HB2 TYR A 38 51.512 33.751 46.364 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.239 33.697 44.771 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.600 35.967 47.232 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.246 35.658 43.855 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.094 38.388 47.394 1.00 0.00 H new ATOM 0 HE2 TYR A 38 53.699 38.101 43.979 1.00 0.00 H new ATOM 0 HH TYR A 38 51.859 40.178 46.261 1.00 0.00 H new ATOM 617 N HIS A 39 50.222 31.651 43.726 1.00 0.00 N ATOM 618 CA HIS A 39 49.995 30.236 43.470 1.00 0.00 C ATOM 619 C HIS A 39 51.021 29.702 42.447 1.00 0.00 C ATOM 620 O HIS A 39 51.733 30.468 41.790 1.00 0.00 O ATOM 621 CB HIS A 39 48.538 30.041 42.998 1.00 0.00 C ATOM 622 CG HIS A 39 48.008 31.065 42.019 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.509 32.308 42.344 1.00 0.00 N ATOM 624 CD2 HIS A 39 47.872 30.924 40.664 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.096 32.906 41.216 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.297 32.104 40.162 1.00 0.00 N ATOM 0 H HIS A 39 50.689 32.113 42.946 1.00 0.00 H new ATOM 0 HA HIS A 39 50.137 29.659 44.384 1.00 0.00 H new ATOM 0 HB2 HIS A 39 48.456 29.055 42.540 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.891 30.040 43.875 1.00 0.00 H new ATOM 0 HD2 HIS A 39 48.156 30.059 40.083 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.663 33.894 41.165 1.00 0.00 H new ATOM 0 HE2 HIS A 39 47.076 32.309 39.188 1.00 0.00 H new ATOM 634 N CYS A 40 51.127 28.382 42.320 1.00 0.00 N ATOM 635 CA CYS A 40 52.065 27.744 41.418 1.00 0.00 C ATOM 636 C CYS A 40 51.568 27.695 39.951 1.00 0.00 C ATOM 637 O CYS A 40 50.424 28.011 39.616 1.00 0.00 O ATOM 638 CB CYS A 40 52.349 26.373 42.037 1.00 0.00 C ATOM 639 SG CYS A 40 53.940 25.668 41.511 1.00 0.00 S ATOM 0 H CYS A 40 50.555 27.723 42.849 1.00 0.00 H new ATOM 0 HA CYS A 40 52.987 28.318 41.324 1.00 0.00 H new ATOM 0 HB2 CYS A 40 52.340 26.463 43.123 1.00 0.00 H new ATOM 0 HB3 CYS A 40 51.547 25.686 41.767 1.00 0.00 H new ATOM 0 HG CYS A 40 54.382 24.862 42.430 1.00 0.00 H new ATOM 644 N VAL A 41 52.483 27.249 39.094 1.00 0.00 N ATOM 645 CA VAL A 41 52.229 26.763 37.720 1.00 0.00 C ATOM 646 C VAL A 41 52.671 25.296 37.509 1.00 0.00 C ATOM 647 O VAL A 41 52.367 24.693 36.476 1.00 0.00 O ATOM 648 CB VAL A 41 52.849 27.745 36.704 1.00 0.00 C ATOM 649 CG1 VAL A 41 54.379 27.658 36.642 1.00 0.00 C ATOM 650 CG2 VAL A 41 52.276 27.596 35.290 1.00 0.00 C ATOM 0 H VAL A 41 53.472 27.211 39.340 1.00 0.00 H new ATOM 0 HA VAL A 41 51.152 26.742 37.552 1.00 0.00 H new ATOM 0 HB VAL A 41 52.573 28.729 37.083 1.00 0.00 H new ATOM 0 HG11 VAL A 41 54.755 28.373 35.910 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.797 27.889 37.622 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.675 26.650 36.350 1.00 0.00 H new ATOM 0 HG21 VAL A 41 52.755 28.316 34.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 52.463 26.586 34.926 1.00 0.00 H new ATOM 0 HG23 VAL A 41 51.202 27.781 35.311 1.00 0.00 H new ATOM 660 N CYS A 42 53.378 24.707 38.481 1.00 0.00 N ATOM 661 CA CYS A 42 53.993 23.380 38.386 1.00 0.00 C ATOM 662 C CYS A 42 53.228 22.290 39.152 1.00 0.00 C ATOM 663 O CYS A 42 53.217 21.144 38.695 1.00 0.00 O ATOM 664 CB CYS A 42 55.436 23.480 38.896 1.00 0.00 C ATOM 665 SG CYS A 42 56.440 24.514 37.787 1.00 0.00 S ATOM 0 H CYS A 42 53.542 25.155 39.382 1.00 0.00 H new ATOM 0 HA CYS A 42 53.966 23.075 37.340 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.443 23.902 39.901 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.872 22.483 38.966 1.00 0.00 H new ATOM 0 HG CYS A 42 57.656 24.585 38.242 1.00 0.00 H new ATOM 671 N CYS A 43 52.598 22.623 40.283 1.00 0.00 N ATOM 672 CA CYS A 43 51.812 21.715 41.086 1.00 0.00 C ATOM 673 C CYS A 43 50.304 21.871 40.808 1.00 0.00 C ATOM 674 O CYS A 43 49.768 21.289 39.860 1.00 0.00 O ATOM 675 CB CYS A 43 52.221 21.868 42.563 1.00 0.00 C ATOM 676 SG CYS A 43 52.774 23.532 43.024 1.00 0.00 S ATOM 0 H CYS A 43 52.630 23.567 40.667 1.00 0.00 H new ATOM 0 HA CYS A 43 52.022 20.682 40.808 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.374 21.594 43.191 1.00 0.00 H new ATOM 0 HB3 CYS A 43 53.021 21.160 42.780 1.00 0.00 H new ATOM 0 HG CYS A 43 53.162 24.170 41.960 1.00 0.00 H new ATOM 681 N ASP A 44 49.617 22.587 41.697 1.00 0.00 N ATOM 682 CA ASP A 44 48.151 22.631 41.752 1.00 0.00 C ATOM 683 C ASP A 44 47.587 23.778 42.602 1.00 0.00 C ATOM 684 O ASP A 44 46.847 24.629 42.105 1.00 0.00 O ATOM 685 CB ASP A 44 47.620 21.275 42.271 1.00 0.00 C ATOM 686 CG ASP A 44 46.279 20.921 41.643 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.238 21.479 42.056 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.295 20.078 40.712 1.00 0.00 O ATOM 0 H ASP A 44 50.066 23.162 42.410 1.00 0.00 H new ATOM 0 HA ASP A 44 47.807 22.822 40.735 1.00 0.00 H new ATOM 0 HB2 ASP A 44 48.344 20.491 42.050 1.00 0.00 H new ATOM 0 HB3 ASP A 44 47.515 21.315 43.355 1.00 0.00 H new ATOM 693 N SER A 45 47.889 23.771 43.898 1.00 0.00 N ATOM 694 CA SER A 45 47.158 24.517 44.922 1.00 0.00 C ATOM 695 C SER A 45 47.757 25.896 45.247 1.00 0.00 C ATOM 696 O SER A 45 48.982 26.053 45.237 1.00 0.00 O ATOM 697 CB SER A 45 46.995 23.646 46.178 1.00 0.00 C ATOM 698 OG SER A 45 48.007 22.664 46.305 1.00 0.00 O ATOM 0 H SER A 45 48.669 23.233 44.276 1.00 0.00 H new ATOM 0 HA SER A 45 46.175 24.743 44.510 1.00 0.00 H new ATOM 0 HB2 SER A 45 47.004 24.286 47.061 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.022 23.156 46.150 1.00 0.00 H new ATOM 0 HG SER A 45 48.602 22.902 47.046 1.00 0.00 H new ATOM 704 N PRO A 46 46.911 26.903 45.556 1.00 0.00 N ATOM 705 CA PRO A 46 47.359 28.199 46.060 1.00 0.00 C ATOM 706 C PRO A 46 47.918 28.078 47.479 1.00 0.00 C ATOM 707 O PRO A 46 47.494 27.206 48.235 1.00 0.00 O ATOM 708 CB PRO A 46 46.122 29.098 46.026 1.00 0.00 C ATOM 709 CG PRO A 46 44.982 28.116 46.286 1.00 0.00 C ATOM 710 CD PRO A 46 45.452 26.851 45.567 1.00 0.00 C ATOM 0 HA PRO A 46 48.169 28.608 45.455 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.167 29.876 46.788 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.013 29.599 45.064 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.832 27.943 47.352 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.036 28.480 45.886 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.099 25.957 46.082 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.057 26.811 44.552 1.00 0.00 H new ATOM 718 N LEU A 47 48.853 28.965 47.837 1.00 0.00 N ATOM 719 CA LEU A 47 49.664 28.790 49.050 1.00 0.00 C ATOM 720 C LEU A 47 49.881 30.066 49.877 1.00 0.00 C ATOM 721 O LEU A 47 49.924 29.973 51.103 1.00 0.00 O ATOM 722 CB LEU A 47 50.989 28.134 48.623 1.00 0.00 C ATOM 723 CG LEU A 47 51.926 27.738 49.774 1.00 0.00 C ATOM 724 CD1 LEU A 47 51.301 26.762 50.770 1.00 0.00 C ATOM 725 CD2 LEU A 47 53.177 27.089 49.188 1.00 0.00 C ATOM 0 H LEU A 47 49.068 29.809 47.307 1.00 0.00 H new ATOM 0 HA LEU A 47 49.114 28.150 49.740 1.00 0.00 H new ATOM 0 HB2 LEU A 47 50.762 27.243 48.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.520 28.821 47.964 1.00 0.00 H new ATOM 0 HG LEU A 47 52.152 28.653 50.321 1.00 0.00 H new ATOM 0 HD11 LEU A 47 52.023 26.530 51.553 1.00 0.00 H new ATOM 0 HD12 LEU A 47 50.415 27.214 51.215 1.00 0.00 H new ATOM 0 HD13 LEU A 47 51.019 25.845 50.253 1.00 0.00 H new ATOM 0 HD21 LEU A 47 53.851 26.803 49.996 1.00 0.00 H new ATOM 0 HD22 LEU A 47 52.895 26.203 48.620 1.00 0.00 H new ATOM 0 HD23 LEU A 47 53.680 27.797 48.529 1.00 0.00 H new ATOM 737 N PHE A 48 49.987 31.255 49.266 1.00 0.00 N ATOM 738 CA PHE A 48 50.149 32.500 50.044 1.00 0.00 C ATOM 739 C PHE A 48 49.448 33.724 49.429 1.00 0.00 C ATOM 740 O PHE A 48 49.474 33.937 48.216 1.00 0.00 O ATOM 741 CB PHE A 48 51.632 32.763 50.368 1.00 0.00 C ATOM 742 CG PHE A 48 52.566 32.973 49.190 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.098 31.864 48.502 1.00 0.00 C ATOM 744 CD2 PHE A 48 52.944 34.274 48.810 1.00 0.00 C ATOM 745 CE1 PHE A 48 53.983 32.055 47.426 1.00 0.00 C ATOM 746 CE2 PHE A 48 53.834 34.465 47.739 1.00 0.00 C ATOM 747 CZ PHE A 48 54.347 33.357 47.041 1.00 0.00 C ATOM 0 H PHE A 48 49.965 31.385 48.255 1.00 0.00 H new ATOM 0 HA PHE A 48 49.626 32.338 50.986 1.00 0.00 H new ATOM 0 HB2 PHE A 48 51.688 33.644 51.007 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.006 31.922 50.952 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.825 30.863 48.802 1.00 0.00 H new ATOM 0 HD2 PHE A 48 52.550 35.127 49.342 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.382 31.203 46.896 1.00 0.00 H new ATOM 0 HE2 PHE A 48 54.125 35.465 47.451 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.020 33.506 46.210 1.00 0.00 H new ATOM 757 N SER A 49 48.838 34.563 50.272 1.00 0.00 N ATOM 758 CA SER A 49 48.133 35.777 49.853 1.00 0.00 C ATOM 759 C SER A 49 48.978 37.042 50.010 1.00 0.00 C ATOM 760 O SER A 49 49.684 37.230 50.999 1.00 0.00 O ATOM 761 CB SER A 49 46.799 35.928 50.581 1.00 0.00 C ATOM 762 OG SER A 49 45.983 34.807 50.310 1.00 0.00 O ATOM 0 H SER A 49 48.820 34.415 51.281 1.00 0.00 H new ATOM 0 HA SER A 49 47.936 35.657 48.788 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.967 36.018 51.654 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.299 36.841 50.259 1.00 0.00 H new ATOM 0 HG SER A 49 45.128 34.904 50.779 1.00 0.00 H new ATOM 768 N SER A 50 48.809 37.980 49.078 1.00 0.00 N ATOM 769 CA SER A 50 49.398 39.337 49.118 1.00 0.00 C ATOM 770 C SER A 50 48.898 40.179 50.283 1.00 0.00 C ATOM 771 O SER A 50 49.472 41.199 50.633 1.00 0.00 O ATOM 772 CB SER A 50 49.087 40.094 47.829 1.00 0.00 C ATOM 773 OG SER A 50 50.158 40.939 47.446 1.00 0.00 O ATOM 0 H SER A 50 48.243 37.821 48.245 1.00 0.00 H new ATOM 0 HA SER A 50 50.470 39.185 49.240 1.00 0.00 H new ATOM 0 HB2 SER A 50 48.881 39.382 47.030 1.00 0.00 H new ATOM 0 HB3 SER A 50 48.184 40.690 47.966 1.00 0.00 H new ATOM 0 HG SER A 50 49.925 41.407 46.617 1.00 0.00 H new ATOM 779 N GLU A 51 47.837 39.724 50.931 1.00 0.00 N ATOM 780 CA GLU A 51 47.337 40.330 52.162 1.00 0.00 C ATOM 781 C GLU A 51 48.339 40.297 53.325 1.00 0.00 C ATOM 782 O GLU A 51 48.260 41.111 54.239 1.00 0.00 O ATOM 783 CB GLU A 51 46.050 39.615 52.571 1.00 0.00 C ATOM 784 CG GLU A 51 44.817 40.498 52.438 1.00 0.00 C ATOM 785 CD GLU A 51 43.985 40.371 53.707 1.00 0.00 C ATOM 786 OE1 GLU A 51 44.301 41.105 54.670 1.00 0.00 O ATOM 787 OE2 GLU A 51 43.120 39.466 53.765 1.00 0.00 O ATOM 0 H GLU A 51 47.293 38.920 50.619 1.00 0.00 H new ATOM 0 HA GLU A 51 47.159 41.384 51.950 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.922 38.725 51.954 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.140 39.277 53.603 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.111 41.536 52.281 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.230 40.198 51.570 1.00 0.00 H new ATOM 794 N LYS A 52 49.267 39.340 53.292 1.00 0.00 N ATOM 795 CA LYS A 52 50.414 39.177 54.175 1.00 0.00 C ATOM 796 C LYS A 52 51.655 39.953 53.709 1.00 0.00 C ATOM 797 O LYS A 52 52.694 39.881 54.359 1.00 0.00 O ATOM 798 CB LYS A 52 50.691 37.663 54.212 1.00 0.00 C ATOM 799 CG LYS A 52 49.439 36.782 54.443 1.00 0.00 C ATOM 800 CD LYS A 52 48.772 37.069 55.792 1.00 0.00 C ATOM 801 CE LYS A 52 47.562 38.001 55.867 1.00 0.00 C ATOM 802 NZ LYS A 52 47.019 38.001 57.251 1.00 0.00 N ATOM 0 H LYS A 52 49.229 38.602 52.589 1.00 0.00 H new ATOM 0 HA LYS A 52 50.191 39.585 55.161 1.00 0.00 H new ATOM 0 HB2 LYS A 52 51.157 37.369 53.271 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.413 37.459 55.002 1.00 0.00 H new ATOM 0 HG2 LYS A 52 48.722 36.955 53.641 1.00 0.00 H new ATOM 0 HG3 LYS A 52 49.723 35.731 54.396 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.469 36.111 56.213 1.00 0.00 H new ATOM 0 HD3 LYS A 52 49.538 37.479 56.451 1.00 0.00 H new ATOM 0 HE2 LYS A 52 47.850 39.012 55.578 1.00 0.00 H new ATOM 0 HE3 LYS A 52 46.795 37.675 55.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.786 38.975 57.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.161 37.415 57.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 47.730 37.613 57.903 1.00 0.00 H new ATOM 816 N LYS A 53 51.606 40.630 52.553 1.00 0.00 N ATOM 817 CA LYS A 53 52.768 41.253 51.886 1.00 0.00 C ATOM 818 C LYS A 53 53.206 42.521 52.625 1.00 0.00 C ATOM 819 O LYS A 53 52.427 43.434 52.846 1.00 0.00 O ATOM 820 CB LYS A 53 52.453 41.498 50.401 1.00 0.00 C ATOM 821 CG LYS A 53 53.648 41.645 49.438 1.00 0.00 C ATOM 822 CD LYS A 53 53.802 43.045 48.827 1.00 0.00 C ATOM 823 CE LYS A 53 54.344 44.082 49.818 1.00 0.00 C ATOM 824 NZ LYS A 53 55.771 43.849 50.151 1.00 0.00 N ATOM 0 H LYS A 53 50.736 40.765 52.039 1.00 0.00 H new ATOM 0 HA LYS A 53 53.618 40.572 51.924 1.00 0.00 H new ATOM 0 HB2 LYS A 53 51.835 40.673 50.047 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.849 42.403 50.329 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.563 41.393 49.973 1.00 0.00 H new ATOM 0 HG3 LYS A 53 53.540 40.920 48.631 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.472 42.988 47.969 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.834 43.380 48.454 1.00 0.00 H new ATOM 0 HE2 LYS A 53 54.230 45.080 49.395 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.750 44.053 50.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.042 44.450 50.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 55.910 42.850 50.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.362 44.084 49.328 1.00 0.00 H new ATOM 838 N TYR A 54 54.489 42.599 52.959 1.00 0.00 N ATOM 839 CA TYR A 54 55.034 43.580 53.913 1.00 0.00 C ATOM 840 C TYR A 54 55.009 45.039 53.406 1.00 0.00 C ATOM 841 O TYR A 54 55.696 45.372 52.434 1.00 0.00 O ATOM 842 CB TYR A 54 56.451 43.150 54.301 1.00 0.00 C ATOM 843 CG TYR A 54 56.754 43.238 55.777 1.00 0.00 C ATOM 844 CD1 TYR A 54 56.485 42.123 56.591 1.00 0.00 C ATOM 845 CD2 TYR A 54 57.326 44.400 56.331 1.00 0.00 C ATOM 846 CE1 TYR A 54 56.808 42.153 57.957 1.00 0.00 C ATOM 847 CE2 TYR A 54 57.646 44.432 57.702 1.00 0.00 C ATOM 848 CZ TYR A 54 57.399 43.306 58.515 1.00 0.00 C ATOM 849 OH TYR A 54 57.766 43.320 59.820 1.00 0.00 O ATOM 0 H TYR A 54 55.198 41.976 52.573 1.00 0.00 H new ATOM 0 HA TYR A 54 54.382 43.583 54.786 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.607 42.123 53.972 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.165 43.770 53.760 1.00 0.00 H new ATOM 0 HD1 TYR A 54 56.029 41.242 56.164 1.00 0.00 H new ATOM 0 HD2 TYR A 54 57.518 45.261 55.708 1.00 0.00 H new ATOM 0 HE1 TYR A 54 56.604 41.294 58.580 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.082 45.321 58.132 1.00 0.00 H new ATOM 0 HH TYR A 54 58.158 44.191 60.040 1.00 0.00 H new ATOM 933 N PRO A 61 59.683 42.578 47.975 1.00 0.00 N ATOM 934 CA PRO A 61 58.984 41.292 48.042 1.00 0.00 C ATOM 935 C PRO A 61 59.328 40.454 49.280 1.00 0.00 C ATOM 936 O PRO A 61 60.317 39.731 49.374 1.00 0.00 O ATOM 937 CB PRO A 61 59.281 40.563 46.736 1.00 0.00 C ATOM 938 CG PRO A 61 60.580 41.201 46.253 1.00 0.00 C ATOM 939 CD PRO A 61 60.421 42.646 46.720 1.00 0.00 C ATOM 0 HA PRO A 61 57.914 41.467 48.156 1.00 0.00 H new ATOM 0 HB2 PRO A 61 59.396 39.491 46.893 1.00 0.00 H new ATOM 0 HB3 PRO A 61 58.477 40.695 46.012 1.00 0.00 H new ATOM 0 HG2 PRO A 61 61.456 40.725 46.693 1.00 0.00 H new ATOM 0 HG3 PRO A 61 60.690 41.132 45.171 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.392 43.120 46.862 1.00 0.00 H new ATOM 0 HD3 PRO A 61 59.882 43.239 45.981 1.00 0.00 H new ATOM 947 N SER A 62 58.404 40.541 50.224 1.00 0.00 N ATOM 948 CA SER A 62 58.422 39.987 51.564 1.00 0.00 C ATOM 949 C SER A 62 56.994 39.873 52.103 1.00 0.00 C ATOM 950 O SER A 62 56.111 40.618 51.666 1.00 0.00 O ATOM 951 CB SER A 62 59.230 40.916 52.468 1.00 0.00 C ATOM 952 OG SER A 62 58.860 42.280 52.352 1.00 0.00 O ATOM 0 H SER A 62 57.539 41.052 50.051 1.00 0.00 H new ATOM 0 HA SER A 62 58.873 38.995 51.542 1.00 0.00 H new ATOM 0 HB2 SER A 62 59.105 40.601 53.504 1.00 0.00 H new ATOM 0 HB3 SER A 62 60.288 40.813 52.228 1.00 0.00 H new ATOM 0 HG SER A 62 59.411 42.821 52.955 1.00 0.00 H new ATOM 958 N PHE A 63 56.761 38.985 53.068 1.00 0.00 N ATOM 959 CA PHE A 63 55.511 38.749 53.753 1.00 0.00 C ATOM 960 C PHE A 63 55.816 38.538 55.239 1.00 0.00 C ATOM 961 O PHE A 63 56.947 38.284 55.659 1.00 0.00 O ATOM 962 CB PHE A 63 54.702 37.618 53.088 1.00 0.00 C ATOM 963 CG PHE A 63 55.372 36.273 52.866 1.00 0.00 C ATOM 964 CD1 PHE A 63 55.507 35.366 53.931 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.734 35.868 51.566 1.00 0.00 C ATOM 966 CE1 PHE A 63 55.982 34.064 53.703 1.00 0.00 C ATOM 967 CE2 PHE A 63 56.218 34.567 51.339 1.00 0.00 C ATOM 968 CZ PHE A 63 56.345 33.663 52.408 1.00 0.00 C ATOM 0 H PHE A 63 57.501 38.372 53.409 1.00 0.00 H new ATOM 0 HA PHE A 63 54.852 39.614 53.674 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.813 37.448 53.695 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.362 37.981 52.118 1.00 0.00 H new ATOM 0 HD1 PHE A 63 55.243 35.673 54.933 1.00 0.00 H new ATOM 0 HD2 PHE A 63 55.640 36.559 50.741 1.00 0.00 H new ATOM 0 HE1 PHE A 63 56.068 33.370 54.526 1.00 0.00 H new ATOM 0 HE2 PHE A 63 56.493 34.262 50.340 1.00 0.00 H new ATOM 0 HZ PHE A 63 56.720 32.665 52.234 1.00 0.00 H new ATOM 978 N SER A 64 54.784 38.751 56.024 1.00 0.00 N ATOM 979 CA SER A 64 54.695 38.488 57.466 1.00 0.00 C ATOM 980 C SER A 64 54.149 37.091 57.780 1.00 0.00 C ATOM 981 O SER A 64 54.380 36.575 58.870 1.00 0.00 O ATOM 982 CB SER A 64 53.807 39.547 58.123 1.00 0.00 C ATOM 983 OG SER A 64 52.528 39.565 57.507 1.00 0.00 O ATOM 0 H SER A 64 53.916 39.141 55.657 1.00 0.00 H new ATOM 0 HA SER A 64 55.707 38.535 57.868 1.00 0.00 H new ATOM 0 HB2 SER A 64 53.703 39.336 59.187 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.274 40.528 58.037 1.00 0.00 H new ATOM 0 HG SER A 64 51.968 40.245 57.936 1.00 0.00 H new ATOM 989 N GLU A 65 53.456 36.465 56.824 1.00 0.00 N ATOM 990 CA GLU A 65 52.826 35.148 56.978 1.00 0.00 C ATOM 991 C GLU A 65 52.743 34.385 55.647 1.00 0.00 C ATOM 992 O GLU A 65 52.578 34.985 54.585 1.00 0.00 O ATOM 993 CB GLU A 65 51.382 35.273 57.460 1.00 0.00 C ATOM 994 CG GLU A 65 51.098 35.987 58.785 1.00 0.00 C ATOM 995 CD GLU A 65 49.583 36.011 59.037 1.00 0.00 C ATOM 996 OE1 GLU A 65 48.995 34.916 59.219 1.00 0.00 O ATOM 997 OE2 GLU A 65 48.982 37.114 58.983 1.00 0.00 O ATOM 0 H GLU A 65 53.313 36.869 55.898 1.00 0.00 H new ATOM 0 HA GLU A 65 53.451 34.619 57.697 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.819 35.789 56.682 1.00 0.00 H new ATOM 0 HB3 GLU A 65 50.972 34.266 57.535 1.00 0.00 H new ATOM 0 HG2 GLU A 65 51.606 35.475 59.603 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.489 37.004 58.754 1.00 0.00 H new ATOM 1004 N ALA A 66 52.728 33.057 55.733 1.00 0.00 N ATOM 1005 CA ALA A 66 52.367 32.148 54.643 1.00 0.00 C ATOM 1006 C ALA A 66 51.000 31.506 54.938 1.00 0.00 C ATOM 1007 O ALA A 66 50.910 30.489 55.626 1.00 0.00 O ATOM 1008 CB ALA A 66 53.491 31.119 54.457 1.00 0.00 C ATOM 0 H ALA A 66 52.975 32.565 56.592 1.00 0.00 H new ATOM 0 HA ALA A 66 52.263 32.687 53.702 1.00 0.00 H new ATOM 0 HB1 ALA A 66 53.230 30.438 53.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 54.420 31.635 54.213 1.00 0.00 H new ATOM 0 HB3 ALA A 66 53.622 30.553 55.379 1.00 0.00 H new ATOM 1162 N GLY A 78 51.732 21.566 53.712 1.00 0.00 N ATOM 1163 CA GLY A 78 51.768 22.049 52.320 1.00 0.00 C ATOM 1164 C GLY A 78 53.193 22.127 51.763 1.00 0.00 C ATOM 1165 O GLY A 78 53.455 21.806 50.603 1.00 0.00 O ATOM 0 HA2 GLY A 78 51.172 21.386 51.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.307 23.035 52.269 1.00 0.00 H new ATOM 1169 N ILE A 79 54.137 22.439 52.648 1.00 0.00 N ATOM 1170 CA ILE A 79 55.541 22.751 52.353 1.00 0.00 C ATOM 1171 C ILE A 79 56.513 21.809 53.068 1.00 0.00 C ATOM 1172 O ILE A 79 56.182 21.171 54.068 1.00 0.00 O ATOM 1173 CB ILE A 79 55.854 24.224 52.720 1.00 0.00 C ATOM 1174 CG1 ILE A 79 55.749 24.449 54.246 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.955 25.168 51.907 1.00 0.00 C ATOM 1176 CD1 ILE A 79 55.950 25.904 54.689 1.00 0.00 C ATOM 0 H ILE A 79 53.936 22.485 53.647 1.00 0.00 H new ATOM 0 HA ILE A 79 55.682 22.606 51.282 1.00 0.00 H new ATOM 0 HB ILE A 79 56.886 24.454 52.453 1.00 0.00 H new ATOM 0 HG12 ILE A 79 54.769 24.112 54.584 1.00 0.00 H new ATOM 0 HG13 ILE A 79 56.491 23.825 54.745 1.00 0.00 H new ATOM 0 HG21 ILE A 79 55.180 26.201 52.170 1.00 0.00 H new ATOM 0 HG22 ILE A 79 55.136 25.017 50.843 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.909 24.957 52.130 1.00 0.00 H new ATOM 0 HD11 ILE A 79 55.860 25.970 55.773 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.941 26.243 54.386 1.00 0.00 H new ATOM 0 HD13 ILE A 79 55.193 26.534 54.223 1.00 0.00 H new ATOM 1188 N LEU A 80 57.757 21.832 52.610 1.00 0.00 N ATOM 1189 CA LEU A 80 58.941 21.400 53.346 1.00 0.00 C ATOM 1190 C LEU A 80 59.882 22.598 53.548 1.00 0.00 C ATOM 1191 O LEU A 80 59.583 23.724 53.151 1.00 0.00 O ATOM 1192 CB LEU A 80 59.603 20.204 52.652 1.00 0.00 C ATOM 1193 CG LEU A 80 59.632 18.976 53.557 1.00 0.00 C ATOM 1194 CD1 LEU A 80 58.269 18.300 53.688 1.00 0.00 C ATOM 1195 CD2 LEU A 80 60.651 17.989 53.013 1.00 0.00 C ATOM 0 H LEU A 80 57.980 22.167 51.673 1.00 0.00 H new ATOM 0 HA LEU A 80 58.661 21.045 54.338 1.00 0.00 H new ATOM 0 HB2 LEU A 80 59.062 19.969 51.736 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.620 20.468 52.363 1.00 0.00 H new ATOM 0 HG LEU A 80 59.910 19.308 54.557 1.00 0.00 H new ATOM 0 HD11 LEU A 80 58.354 17.434 54.344 1.00 0.00 H new ATOM 0 HD12 LEU A 80 57.552 19.005 54.109 1.00 0.00 H new ATOM 0 HD13 LEU A 80 57.926 17.978 52.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 60.680 17.107 53.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 60.369 17.695 52.002 1.00 0.00 H new ATOM 0 HD23 LEU A 80 61.636 18.456 52.994 1.00 0.00 H new ATOM 1207 N ARG A 81 60.994 22.381 54.245 1.00 0.00 N ATOM 1208 CA ARG A 81 61.948 23.421 54.630 1.00 0.00 C ATOM 1209 C ARG A 81 63.362 22.887 54.794 1.00 0.00 C ATOM 1210 O ARG A 81 63.553 21.709 55.086 1.00 0.00 O ATOM 1211 CB ARG A 81 61.478 24.143 55.903 1.00 0.00 C ATOM 1212 CG ARG A 81 60.757 23.277 56.953 1.00 0.00 C ATOM 1213 CD ARG A 81 59.239 23.470 56.841 1.00 0.00 C ATOM 1214 NE ARG A 81 58.477 22.757 57.890 1.00 0.00 N ATOM 1215 CZ ARG A 81 57.283 23.107 58.341 1.00 0.00 C ATOM 1216 NH1 ARG A 81 56.584 24.070 57.815 1.00 0.00 N ATOM 1217 NH2 ARG A 81 56.723 22.516 59.349 1.00 0.00 N ATOM 0 H ARG A 81 61.265 21.452 54.567 1.00 0.00 H new ATOM 0 HA ARG A 81 61.982 24.141 53.812 1.00 0.00 H new ATOM 0 HB2 ARG A 81 62.346 24.602 56.376 1.00 0.00 H new ATOM 0 HB3 ARG A 81 60.809 24.952 55.610 1.00 0.00 H new ATOM 0 HG2 ARG A 81 61.010 22.227 56.806 1.00 0.00 H new ATOM 0 HG3 ARG A 81 61.093 23.549 57.953 1.00 0.00 H new ATOM 0 HD2 ARG A 81 59.010 24.534 56.896 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.907 23.123 55.862 1.00 0.00 H new ATOM 0 HE ARG A 81 58.907 21.928 58.299 1.00 0.00 H new ATOM 0 HH11 ARG A 81 56.952 24.592 57.020 1.00 0.00 H new ATOM 0 HH12 ARG A 81 55.668 24.303 58.198 1.00 0.00 H new ATOM 0 HH21 ARG A 81 57.204 21.752 59.824 1.00 0.00 H new ATOM 0 HH22 ARG A 81 55.801 22.815 59.667 1.00 0.00 H new ATOM 1231 N ARG A 82 64.324 23.793 54.645 1.00 0.00 N ATOM 1232 CA ARG A 82 65.766 23.556 54.771 1.00 0.00 C ATOM 1233 C ARG A 82 66.430 24.849 55.216 1.00 0.00 C ATOM 1234 O ARG A 82 66.323 25.892 54.587 1.00 0.00 O ATOM 1235 CB ARG A 82 66.339 23.033 53.445 1.00 0.00 C ATOM 1236 CG ARG A 82 67.427 21.967 53.639 1.00 0.00 C ATOM 1237 CD ARG A 82 68.689 22.478 54.336 1.00 0.00 C ATOM 1238 NE ARG A 82 69.793 21.499 54.251 1.00 0.00 N ATOM 1239 CZ ARG A 82 70.965 21.563 54.857 1.00 0.00 C ATOM 1240 NH1 ARG A 82 71.341 22.562 55.591 1.00 0.00 N ATOM 1241 NH2 ARG A 82 71.833 20.606 54.776 1.00 0.00 N ATOM 0 H ARG A 82 64.111 24.765 54.421 1.00 0.00 H new ATOM 0 HA ARG A 82 65.964 22.789 55.520 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.530 22.614 52.847 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.753 23.868 52.880 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.013 21.143 54.220 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.702 21.563 52.665 1.00 0.00 H new ATOM 0 HD2 ARG A 82 69.001 23.419 53.882 1.00 0.00 H new ATOM 0 HD3 ARG A 82 68.468 22.687 55.383 1.00 0.00 H new ATOM 0 HE ARG A 82 69.632 20.684 53.659 1.00 0.00 H new ATOM 0 HH11 ARG A 82 70.718 23.358 55.727 1.00 0.00 H new ATOM 0 HH12 ARG A 82 72.260 22.552 56.033 1.00 0.00 H new ATOM 0 HH21 ARG A 82 71.621 19.770 54.231 1.00 0.00 H new ATOM 0 HH22 ARG A 82 72.729 20.688 55.257 1.00 0.00 H new ATOM 1255 N LEU A 83 67.101 24.793 56.353 1.00 0.00 N ATOM 1256 CA LEU A 83 67.928 25.887 56.834 1.00 0.00 C ATOM 1257 C LEU A 83 69.252 25.902 56.072 1.00 0.00 C ATOM 1258 O LEU A 83 69.921 24.880 55.971 1.00 0.00 O ATOM 1259 CB LEU A 83 68.211 25.826 58.336 1.00 0.00 C ATOM 1260 CG LEU A 83 67.038 26.045 59.307 1.00 0.00 C ATOM 1261 CD1 LEU A 83 65.902 25.025 59.201 1.00 0.00 C ATOM 1262 CD2 LEU A 83 67.565 26.008 60.741 1.00 0.00 C ATOM 0 H LEU A 83 67.088 23.983 56.972 1.00 0.00 H new ATOM 0 HA LEU A 83 67.364 26.802 56.656 1.00 0.00 H new ATOM 0 HB2 LEU A 83 68.645 24.850 58.553 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.973 26.572 58.562 1.00 0.00 H new ATOM 0 HG LEU A 83 66.615 27.011 59.031 1.00 0.00 H new ATOM 0 HD11 LEU A 83 65.126 25.268 59.927 1.00 0.00 H new ATOM 0 HD12 LEU A 83 65.481 25.053 58.196 1.00 0.00 H new ATOM 0 HD13 LEU A 83 66.289 24.027 59.404 1.00 0.00 H new ATOM 0 HD21 LEU A 83 66.740 26.163 61.436 1.00 0.00 H new ATOM 0 HD22 LEU A 83 68.026 25.039 60.934 1.00 0.00 H new ATOM 0 HD23 LEU A 83 68.306 26.796 60.877 1.00 0.00 H new ATOM 1274 N ASP A 84 69.689 27.079 55.654 1.00 0.00 N ATOM 1275 CA ASP A 84 70.958 27.275 54.911 1.00 0.00 C ATOM 1276 C ASP A 84 72.116 27.629 55.868 1.00 0.00 C ATOM 1277 O ASP A 84 73.097 28.271 55.504 1.00 0.00 O ATOM 1278 CB ASP A 84 70.773 28.269 53.744 1.00 0.00 C ATOM 1279 CG ASP A 84 71.623 27.985 52.501 1.00 0.00 C ATOM 1280 OD1 ASP A 84 71.808 26.793 52.166 1.00 0.00 O ATOM 1281 OD2 ASP A 84 72.005 28.977 51.841 1.00 0.00 O ATOM 0 H ASP A 84 69.177 27.947 55.815 1.00 0.00 H new ATOM 0 HA ASP A 84 71.244 26.332 54.446 1.00 0.00 H new ATOM 0 HB2 ASP A 84 69.723 28.271 53.453 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.006 29.272 54.102 1.00 0.00 H new ATOM 1286 N THR A 85 71.990 27.204 57.133 1.00 0.00 N ATOM 1287 CA THR A 85 72.894 27.466 58.270 1.00 0.00 C ATOM 1288 C THR A 85 74.178 26.605 58.178 1.00 0.00 C ATOM 1289 O THR A 85 74.607 25.911 59.100 1.00 0.00 O ATOM 1290 CB THR A 85 72.116 27.358 59.596 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.865 27.943 60.628 1.00 0.00 O ATOM 1292 CG2 THR A 85 71.678 25.954 60.020 1.00 0.00 C ATOM 0 H THR A 85 71.197 26.626 57.412 1.00 0.00 H new ATOM 0 HA THR A 85 73.262 28.491 58.231 1.00 0.00 H new ATOM 0 HB THR A 85 71.184 27.891 59.407 1.00 0.00 H new ATOM 0 HG1 THR A 85 72.369 27.876 61.471 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.141 26.011 60.967 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.025 25.531 59.257 1.00 0.00 H new ATOM 0 HG23 THR A 85 72.556 25.319 60.138 1.00 0.00 H new ATOM 1300 N SER A 86 74.755 26.579 56.976 1.00 0.00 N ATOM 1301 CA SER A 86 75.853 25.700 56.535 1.00 0.00 C ATOM 1302 C SER A 86 77.032 26.463 55.928 1.00 0.00 C ATOM 1303 O SER A 86 78.140 25.946 55.783 1.00 0.00 O ATOM 1304 CB SER A 86 75.278 24.684 55.537 1.00 0.00 C ATOM 1305 OG SER A 86 76.034 23.491 55.500 1.00 0.00 O ATOM 0 H SER A 86 74.453 27.209 56.233 1.00 0.00 H new ATOM 0 HA SER A 86 76.261 25.193 57.409 1.00 0.00 H new ATOM 0 HB2 SER A 86 74.248 24.452 55.809 1.00 0.00 H new ATOM 0 HB3 SER A 86 75.253 25.128 54.542 1.00 0.00 H new ATOM 0 HG SER A 86 75.635 22.871 54.855 1.00 0.00 H new ATOM 1311 N LEU A 87 76.787 27.737 55.639 1.00 0.00 N ATOM 1312 CA LEU A 87 77.665 28.692 54.947 1.00 0.00 C ATOM 1313 C LEU A 87 78.338 29.688 55.914 1.00 0.00 C ATOM 1314 O LEU A 87 78.754 30.778 55.529 1.00 0.00 O ATOM 1315 CB LEU A 87 76.867 29.393 53.831 1.00 0.00 C ATOM 1316 CG LEU A 87 76.186 28.468 52.809 1.00 0.00 C ATOM 1317 CD1 LEU A 87 75.412 29.310 51.796 1.00 0.00 C ATOM 1318 CD2 LEU A 87 77.178 27.579 52.056 1.00 0.00 C ATOM 0 H LEU A 87 75.901 28.169 55.901 1.00 0.00 H new ATOM 0 HA LEU A 87 78.490 28.144 54.493 1.00 0.00 H new ATOM 0 HB2 LEU A 87 76.102 30.016 54.295 1.00 0.00 H new ATOM 0 HB3 LEU A 87 77.540 30.062 53.295 1.00 0.00 H new ATOM 0 HG LEU A 87 75.518 27.814 53.370 1.00 0.00 H new ATOM 0 HD11 LEU A 87 74.929 28.654 51.071 1.00 0.00 H new ATOM 0 HD12 LEU A 87 74.655 29.898 52.315 1.00 0.00 H new ATOM 0 HD13 LEU A 87 76.099 29.979 51.278 1.00 0.00 H new ATOM 0 HD21 LEU A 87 76.638 26.949 51.349 1.00 0.00 H new ATOM 0 HD22 LEU A 87 77.889 28.204 51.515 1.00 0.00 H new ATOM 0 HD23 LEU A 87 77.715 26.950 52.766 1.00 0.00 H new ATOM 1330 N GLY A 88 78.362 29.345 57.204 1.00 0.00 N ATOM 1331 CA GLY A 88 78.888 30.193 58.287 1.00 0.00 C ATOM 1332 C GLY A 88 77.936 31.305 58.749 1.00 0.00 C ATOM 1333 O GLY A 88 78.200 31.985 59.740 1.00 0.00 O ATOM 0 H GLY A 88 78.008 28.448 57.537 1.00 0.00 H new ATOM 0 HA2 GLY A 88 79.128 29.560 59.142 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.821 30.647 57.954 1.00 0.00 H new ATOM 1337 N CYS A 89 76.815 31.479 58.051 1.00 0.00 N ATOM 1338 CA CYS A 89 75.740 32.414 58.376 1.00 0.00 C ATOM 1339 C CYS A 89 74.362 31.720 58.265 1.00 0.00 C ATOM 1340 O CYS A 89 74.135 31.010 57.283 1.00 0.00 O ATOM 1341 CB CYS A 89 75.873 33.620 57.442 1.00 0.00 C ATOM 1342 SG CYS A 89 74.796 34.967 57.998 1.00 0.00 S ATOM 0 H CYS A 89 76.623 30.946 57.203 1.00 0.00 H new ATOM 0 HA CYS A 89 75.818 32.757 59.408 1.00 0.00 H new ATOM 0 HB2 CYS A 89 76.909 33.959 57.420 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.610 33.331 56.424 1.00 0.00 H new ATOM 0 HG CYS A 89 74.923 35.983 57.197 1.00 0.00 H new ATOM 1348 N PRO A 90 73.446 31.876 59.241 1.00 0.00 N ATOM 1349 CA PRO A 90 72.134 31.230 59.231 1.00 0.00 C ATOM 1350 C PRO A 90 71.159 31.801 58.192 1.00 0.00 C ATOM 1351 O PRO A 90 71.198 32.984 57.847 1.00 0.00 O ATOM 1352 CB PRO A 90 71.587 31.366 60.658 1.00 0.00 C ATOM 1353 CG PRO A 90 72.294 32.611 61.187 1.00 0.00 C ATOM 1354 CD PRO A 90 73.668 32.497 60.536 1.00 0.00 C ATOM 0 HA PRO A 90 72.243 30.188 58.931 1.00 0.00 H new ATOM 0 HB2 PRO A 90 70.504 31.485 60.664 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.814 30.487 61.262 1.00 0.00 H new ATOM 0 HG2 PRO A 90 71.780 33.527 60.896 1.00 0.00 H new ATOM 0 HG3 PRO A 90 72.357 32.613 62.275 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.130 33.478 60.424 1.00 0.00 H new ATOM 0 HD3 PRO A 90 74.341 31.896 61.147 1.00 0.00 H new ATOM 1362 N ARG A 91 70.238 30.930 57.758 1.00 0.00 N ATOM 1363 CA ARG A 91 68.995 31.194 56.985 1.00 0.00 C ATOM 1364 C ARG A 91 67.905 30.203 57.403 1.00 0.00 C ATOM 1365 O ARG A 91 68.233 29.112 57.872 1.00 0.00 O ATOM 1366 CB ARG A 91 69.225 30.928 55.496 1.00 0.00 C ATOM 1367 CG ARG A 91 70.281 31.810 54.839 1.00 0.00 C ATOM 1368 CD ARG A 91 69.889 33.282 54.967 1.00 0.00 C ATOM 1369 NE ARG A 91 70.720 34.079 54.060 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.924 34.539 54.335 1.00 0.00 C ATOM 1371 NH1 ARG A 91 72.468 34.509 55.519 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.642 35.014 53.370 1.00 0.00 N ATOM 0 H ARG A 91 70.343 29.934 57.950 1.00 0.00 H new ATOM 0 HA ARG A 91 68.711 32.229 57.172 1.00 0.00 H new ATOM 0 HB2 ARG A 91 69.515 29.885 55.369 1.00 0.00 H new ATOM 0 HB3 ARG A 91 68.281 31.063 54.968 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.250 31.641 55.308 1.00 0.00 H new ATOM 0 HG3 ARG A 91 70.386 31.544 53.787 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.835 33.413 54.724 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.024 33.619 55.995 1.00 0.00 H new ATOM 0 HE ARG A 91 70.335 34.295 53.141 1.00 0.00 H new ATOM 0 HH11 ARG A 91 71.956 34.110 56.306 1.00 0.00 H new ATOM 0 HH12 ARG A 91 73.406 34.884 55.659 1.00 0.00 H new ATOM 0 HH21 ARG A 91 72.274 35.027 52.419 1.00 0.00 H new ATOM 0 HH22 ARG A 91 73.577 35.375 53.560 1.00 0.00 H new ATOM 1386 N MET A 92 66.650 30.487 57.060 1.00 0.00 N ATOM 1387 CA MET A 92 65.634 29.464 56.826 1.00 0.00 C ATOM 1388 C MET A 92 65.151 29.584 55.380 1.00 0.00 C ATOM 1389 O MET A 92 64.905 30.682 54.902 1.00 0.00 O ATOM 1390 CB MET A 92 64.473 29.583 57.822 1.00 0.00 C ATOM 1391 CG MET A 92 64.122 28.225 58.434 1.00 0.00 C ATOM 1392 SD MET A 92 62.405 28.041 58.982 1.00 0.00 S ATOM 1393 CE MET A 92 61.581 27.871 57.374 1.00 0.00 C ATOM 0 H MET A 92 66.308 31.440 56.936 1.00 0.00 H new ATOM 0 HA MET A 92 66.069 28.477 56.983 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.741 30.282 58.614 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.599 29.993 57.317 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.337 27.448 57.700 1.00 0.00 H new ATOM 0 HG3 MET A 92 64.779 28.049 59.286 1.00 0.00 H new ATOM 0 HE1 MET A 92 60.659 28.453 57.374 1.00 0.00 H new ATOM 0 HE2 MET A 92 62.240 28.236 56.587 1.00 0.00 H new ATOM 0 HE3 MET A 92 61.348 26.822 57.194 1.00 0.00 H new ATOM 1403 N GLU A 93 65.017 28.473 54.675 1.00 0.00 N ATOM 1404 CA GLU A 93 64.411 28.398 53.339 1.00 0.00 C ATOM 1405 C GLU A 93 63.256 27.383 53.322 1.00 0.00 C ATOM 1406 O GLU A 93 63.182 26.494 54.183 1.00 0.00 O ATOM 1407 CB GLU A 93 65.527 28.212 52.299 1.00 0.00 C ATOM 1408 CG GLU A 93 65.087 27.936 50.854 1.00 0.00 C ATOM 1409 CD GLU A 93 65.078 26.446 50.499 1.00 0.00 C ATOM 1410 OE1 GLU A 93 64.484 25.626 51.232 1.00 0.00 O ATOM 1411 OE2 GLU A 93 65.759 26.080 49.511 1.00 0.00 O ATOM 0 H GLU A 93 65.334 27.567 55.019 1.00 0.00 H new ATOM 0 HA GLU A 93 63.917 29.328 53.057 1.00 0.00 H new ATOM 0 HB2 GLU A 93 66.146 29.109 52.300 1.00 0.00 H new ATOM 0 HB3 GLU A 93 66.161 27.387 52.625 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.088 28.345 50.701 1.00 0.00 H new ATOM 0 HG3 GLU A 93 65.755 28.461 50.171 1.00 0.00 H new ATOM 1418 N VAL A 94 62.292 27.590 52.415 1.00 0.00 N ATOM 1419 CA VAL A 94 61.115 26.727 52.264 1.00 0.00 C ATOM 1420 C VAL A 94 60.929 26.223 50.833 1.00 0.00 C ATOM 1421 O VAL A 94 61.228 26.910 49.851 1.00 0.00 O ATOM 1422 CB VAL A 94 59.825 27.368 52.808 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.965 27.824 54.265 1.00 0.00 C ATOM 1424 CG2 VAL A 94 59.303 28.561 51.996 1.00 0.00 C ATOM 0 H VAL A 94 62.309 28.370 51.759 1.00 0.00 H new ATOM 0 HA VAL A 94 61.318 25.854 52.885 1.00 0.00 H new ATOM 0 HB VAL A 94 59.101 26.558 52.724 1.00 0.00 H new ATOM 0 HG11 VAL A 94 59.027 28.269 54.599 1.00 0.00 H new ATOM 0 HG12 VAL A 94 60.204 26.966 54.893 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.764 28.562 54.340 1.00 0.00 H new ATOM 0 HG21 VAL A 94 58.392 28.944 52.457 1.00 0.00 H new ATOM 0 HG22 VAL A 94 60.058 29.347 51.977 1.00 0.00 H new ATOM 0 HG23 VAL A 94 59.087 28.241 50.977 1.00 0.00 H new ATOM 1434 N VAL A 95 60.371 25.017 50.723 1.00 0.00 N ATOM 1435 CA VAL A 95 60.085 24.346 49.445 1.00 0.00 C ATOM 1436 C VAL A 95 58.612 23.959 49.309 1.00 0.00 C ATOM 1437 O VAL A 95 57.943 23.599 50.279 1.00 0.00 O ATOM 1438 CB VAL A 95 61.025 23.149 49.172 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.487 23.441 49.530 1.00 0.00 C ATOM 1440 CG2 VAL A 95 60.632 21.881 49.925 1.00 0.00 C ATOM 0 H VAL A 95 60.098 24.464 51.535 1.00 0.00 H new ATOM 0 HA VAL A 95 60.293 25.082 48.668 1.00 0.00 H new ATOM 0 HB VAL A 95 60.920 22.990 48.099 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.096 22.563 49.316 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.845 24.284 48.939 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.560 23.684 50.590 1.00 0.00 H new ATOM 0 HG21 VAL A 95 61.335 21.083 49.686 1.00 0.00 H new ATOM 0 HG22 VAL A 95 60.653 22.074 50.998 1.00 0.00 H new ATOM 0 HG23 VAL A 95 59.627 21.580 49.630 1.00 0.00 H new ATOM 1450 N CYS A 96 58.142 23.967 48.070 1.00 0.00 N ATOM 1451 CA CYS A 96 56.882 23.466 47.615 1.00 0.00 C ATOM 1452 C CYS A 96 57.063 21.950 47.548 1.00 0.00 C ATOM 1453 O CYS A 96 57.799 21.426 46.716 1.00 0.00 O ATOM 1454 CB CYS A 96 56.667 24.154 46.258 1.00 0.00 C ATOM 1455 SG CYS A 96 55.428 23.334 45.219 1.00 0.00 S ATOM 0 H CYS A 96 58.689 24.360 47.304 1.00 0.00 H new ATOM 0 HA CYS A 96 56.007 23.663 48.235 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.361 25.186 46.428 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.615 24.186 45.722 1.00 0.00 H new ATOM 0 HG CYS A 96 54.709 24.231 44.612 1.00 0.00 H new ATOM 1460 N LYS A 97 56.433 21.249 48.480 1.00 0.00 N ATOM 1461 CA LYS A 97 56.300 19.780 48.432 1.00 0.00 C ATOM 1462 C LYS A 97 55.264 19.314 47.404 1.00 0.00 C ATOM 1463 O LYS A 97 55.257 18.155 46.999 1.00 0.00 O ATOM 1464 CB LYS A 97 56.056 19.228 49.835 1.00 0.00 C ATOM 1465 CG LYS A 97 56.439 17.743 49.945 1.00 0.00 C ATOM 1466 CD LYS A 97 57.928 17.506 49.655 1.00 0.00 C ATOM 1467 CE LYS A 97 58.436 16.207 50.286 1.00 0.00 C ATOM 1468 NZ LYS A 97 58.290 15.047 49.381 1.00 0.00 N ATOM 0 H LYS A 97 55.995 21.674 49.297 1.00 0.00 H new ATOM 0 HA LYS A 97 57.243 19.363 48.078 1.00 0.00 H new ATOM 0 HB2 LYS A 97 56.633 19.806 50.557 1.00 0.00 H new ATOM 0 HB3 LYS A 97 55.005 19.351 50.095 1.00 0.00 H new ATOM 0 HG2 LYS A 97 56.203 17.382 50.946 1.00 0.00 H new ATOM 0 HG3 LYS A 97 55.837 17.161 49.247 1.00 0.00 H new ATOM 0 HD2 LYS A 97 58.086 17.471 48.577 1.00 0.00 H new ATOM 0 HD3 LYS A 97 58.510 18.346 50.036 1.00 0.00 H new ATOM 0 HE2 LYS A 97 59.485 16.324 50.557 1.00 0.00 H new ATOM 0 HE3 LYS A 97 57.888 16.016 51.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 58.632 14.189 49.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 57.288 14.927 49.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 58.847 15.208 48.518 1.00 0.00 H new ATOM 1482 N GLN A 98 54.447 20.250 46.934 1.00 0.00 N ATOM 1483 CA GLN A 98 53.391 20.061 45.953 1.00 0.00 C ATOM 1484 C GLN A 98 53.936 19.572 44.598 1.00 0.00 C ATOM 1485 O GLN A 98 53.355 18.676 43.981 1.00 0.00 O ATOM 1486 CB GLN A 98 52.574 21.332 45.804 1.00 0.00 C ATOM 1487 CG GLN A 98 52.181 22.026 47.111 1.00 0.00 C ATOM 1488 CD GLN A 98 51.129 23.101 46.869 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.197 23.286 47.635 1.00 0.00 O ATOM 1490 NE2 GLN A 98 51.191 23.824 45.777 1.00 0.00 N ATOM 0 H GLN A 98 54.510 21.218 47.248 1.00 0.00 H new ATOM 0 HA GLN A 98 52.734 19.273 46.321 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.141 22.037 45.196 1.00 0.00 H new ATOM 0 HB3 GLN A 98 51.664 21.095 45.252 1.00 0.00 H new ATOM 0 HG2 GLN A 98 51.796 21.289 47.816 1.00 0.00 H new ATOM 0 HG3 GLN A 98 53.064 22.473 47.568 1.00 0.00 H new ATOM 0 HE21 GLN A 98 51.959 23.690 45.120 1.00 0.00 H new ATOM 0 HE22 GLN A 98 50.471 24.521 45.585 1.00 0.00 H new ATOM 1499 N CYS A 99 55.083 20.131 44.189 1.00 0.00 N ATOM 1500 CA CYS A 99 55.888 19.680 43.048 1.00 0.00 C ATOM 1501 C CYS A 99 57.377 19.356 43.378 1.00 0.00 C ATOM 1502 O CYS A 99 58.088 18.818 42.523 1.00 0.00 O ATOM 1503 CB CYS A 99 55.700 20.675 41.887 1.00 0.00 C ATOM 1504 SG CYS A 99 56.433 22.299 42.228 1.00 0.00 S ATOM 0 H CYS A 99 55.489 20.939 44.661 1.00 0.00 H new ATOM 0 HA CYS A 99 55.515 18.703 42.739 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.148 20.261 40.984 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.635 20.797 41.687 1.00 0.00 H new ATOM 0 HG CYS A 99 56.314 22.572 43.494 1.00 0.00 H new ATOM 1509 N GLU A 100 57.838 19.608 44.605 1.00 0.00 N ATOM 1510 CA GLU A 100 59.191 19.327 45.126 1.00 0.00 C ATOM 1511 C GLU A 100 60.323 20.250 44.615 1.00 0.00 C ATOM 1512 O GLU A 100 61.368 19.786 44.143 1.00 0.00 O ATOM 1513 CB GLU A 100 59.474 17.818 45.112 1.00 0.00 C ATOM 1514 CG GLU A 100 60.383 17.438 46.274 1.00 0.00 C ATOM 1515 CD GLU A 100 60.573 15.925 46.333 1.00 0.00 C ATOM 1516 OE1 GLU A 100 59.730 15.259 46.984 1.00 0.00 O ATOM 1517 OE2 GLU A 100 61.543 15.414 45.723 1.00 0.00 O ATOM 0 H GLU A 100 57.244 20.041 45.312 1.00 0.00 H new ATOM 0 HA GLU A 100 59.191 19.624 46.175 1.00 0.00 H new ATOM 0 HB2 GLU A 100 58.537 17.265 45.179 1.00 0.00 H new ATOM 0 HB3 GLU A 100 59.943 17.538 44.169 1.00 0.00 H new ATOM 0 HG2 GLU A 100 61.350 17.928 46.162 1.00 0.00 H new ATOM 0 HG3 GLU A 100 59.953 17.793 47.211 1.00 0.00 H new ATOM 1524 N ALA A 101 60.134 21.570 44.761 1.00 0.00 N ATOM 1525 CA ALA A 101 61.138 22.601 44.479 1.00 0.00 C ATOM 1526 C ALA A 101 61.075 23.813 45.432 1.00 0.00 C ATOM 1527 O ALA A 101 60.038 24.138 45.998 1.00 0.00 O ATOM 1528 CB ALA A 101 61.011 23.030 43.010 1.00 0.00 C ATOM 0 H ALA A 101 59.250 21.959 45.089 1.00 0.00 H new ATOM 0 HA ALA A 101 62.119 22.162 44.657 1.00 0.00 H new ATOM 0 HB1 ALA A 101 61.753 23.797 42.789 1.00 0.00 H new ATOM 0 HB2 ALA A 101 61.177 22.168 42.364 1.00 0.00 H new ATOM 0 HB3 ALA A 101 60.013 23.430 42.833 1.00 0.00 H new ATOM 1534 N HIS A 102 62.207 24.494 45.620 1.00 0.00 N ATOM 1535 CA HIS A 102 62.371 25.652 46.505 1.00 0.00 C ATOM 1536 C HIS A 102 61.535 26.868 46.068 1.00 0.00 C ATOM 1537 O HIS A 102 61.510 27.227 44.887 1.00 0.00 O ATOM 1538 CB HIS A 102 63.869 25.978 46.658 1.00 0.00 C ATOM 1539 CG HIS A 102 64.627 26.149 45.358 1.00 0.00 C ATOM 1540 ND1 HIS A 102 64.155 26.733 44.206 1.00 0.00 N ATOM 1541 CD2 HIS A 102 65.902 25.724 45.097 1.00 0.00 C ATOM 1542 CE1 HIS A 102 65.113 26.674 43.271 1.00 0.00 C ATOM 1543 NE2 HIS A 102 66.200 26.053 43.765 1.00 0.00 N ATOM 0 H HIS A 102 63.072 24.244 45.140 1.00 0.00 H new ATOM 0 HA HIS A 102 61.976 25.388 47.486 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.968 26.894 47.241 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.341 25.182 47.233 1.00 0.00 H new ATOM 0 HD1 HIS A 102 63.229 27.143 44.084 1.00 0.00 H new ATOM 0 HD2 HIS A 102 66.561 25.225 45.792 1.00 0.00 H new ATOM 0 HE1 HIS A 102 65.026 27.067 42.269 1.00 0.00 H new ATOM 1551 N LEU A 103 60.864 27.508 47.032 1.00 0.00 N ATOM 1552 CA LEU A 103 59.791 28.478 46.752 1.00 0.00 C ATOM 1553 C LEU A 103 59.948 29.880 47.342 1.00 0.00 C ATOM 1554 O LEU A 103 59.306 30.819 46.879 1.00 0.00 O ATOM 1555 CB LEU A 103 58.433 27.855 47.145 1.00 0.00 C ATOM 1556 CG LEU A 103 57.245 28.382 46.334 1.00 0.00 C ATOM 1557 CD1 LEU A 103 57.206 27.785 44.926 1.00 0.00 C ATOM 1558 CD2 LEU A 103 55.923 28.106 47.045 1.00 0.00 C ATOM 0 H LEU A 103 61.046 27.371 48.026 1.00 0.00 H new ATOM 0 HA LEU A 103 59.853 28.665 45.680 1.00 0.00 H new ATOM 0 HB2 LEU A 103 58.492 26.774 47.022 1.00 0.00 H new ATOM 0 HB3 LEU A 103 58.250 28.046 48.203 1.00 0.00 H new ATOM 0 HG LEU A 103 57.382 29.460 46.246 1.00 0.00 H new ATOM 0 HD11 LEU A 103 56.349 28.185 44.385 1.00 0.00 H new ATOM 0 HD12 LEU A 103 58.123 28.043 44.396 1.00 0.00 H new ATOM 0 HD13 LEU A 103 57.119 26.701 44.993 1.00 0.00 H new ATOM 0 HD21 LEU A 103 55.099 28.492 46.444 1.00 0.00 H new ATOM 0 HD22 LEU A 103 55.801 27.031 47.181 1.00 0.00 H new ATOM 0 HD23 LEU A 103 55.924 28.597 48.018 1.00 0.00 H new ATOM 1570 N GLY A 104 60.839 30.051 48.298 1.00 0.00 N ATOM 1571 CA GLY A 104 61.104 31.273 49.025 1.00 0.00 C ATOM 1572 C GLY A 104 61.815 31.020 50.354 1.00 0.00 C ATOM 1573 O GLY A 104 62.142 29.884 50.686 1.00 0.00 O ATOM 0 H GLY A 104 61.438 29.285 48.608 1.00 0.00 H new ATOM 0 HA2 GLY A 104 61.715 31.933 48.409 1.00 0.00 H new ATOM 0 HA3 GLY A 104 60.164 31.792 49.212 1.00 0.00 H new ATOM 1577 N HIS A 105 62.115 32.081 51.100 1.00 0.00 N ATOM 1578 CA HIS A 105 63.016 32.009 52.250 1.00 0.00 C ATOM 1579 C HIS A 105 62.647 32.978 53.392 1.00 0.00 C ATOM 1580 O HIS A 105 61.645 33.691 53.356 1.00 0.00 O ATOM 1581 CB HIS A 105 64.503 32.160 51.828 1.00 0.00 C ATOM 1582 CG HIS A 105 64.925 31.879 50.398 1.00 0.00 C ATOM 1583 ND1 HIS A 105 65.967 31.072 50.002 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.459 32.488 49.265 1.00 0.00 C ATOM 1585 CE1 HIS A 105 66.101 31.172 48.668 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.213 32.047 48.170 1.00 0.00 N ATOM 0 H HIS A 105 61.741 33.014 50.925 1.00 0.00 H new ATOM 0 HA HIS A 105 62.884 31.008 52.660 1.00 0.00 H new ATOM 0 HB2 HIS A 105 64.801 33.183 52.057 1.00 0.00 H new ATOM 0 HB3 HIS A 105 65.089 31.505 52.472 1.00 0.00 H new ATOM 0 HD2 HIS A 105 63.643 33.194 49.222 1.00 0.00 H new ATOM 0 HE1 HIS A 105 66.822 30.625 48.079 1.00 0.00 H new ATOM 0 HE2 HIS A 105 65.109 32.332 47.196 1.00 0.00 H new ATOM 1594 N VAL A 106 63.447 32.955 54.457 1.00 0.00 N ATOM 1595 CA VAL A 106 63.249 33.676 55.718 1.00 0.00 C ATOM 1596 C VAL A 106 64.607 34.110 56.280 1.00 0.00 C ATOM 1597 O VAL A 106 65.579 33.349 56.285 1.00 0.00 O ATOM 1598 CB VAL A 106 62.521 32.813 56.770 1.00 0.00 C ATOM 1599 CG1 VAL A 106 61.805 33.684 57.810 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.507 31.811 56.205 1.00 0.00 C ATOM 0 H VAL A 106 64.303 32.400 54.465 1.00 0.00 H new ATOM 0 HA VAL A 106 62.627 34.545 55.505 1.00 0.00 H new ATOM 0 HB VAL A 106 63.324 32.233 57.225 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.302 33.045 58.536 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.534 34.312 58.322 1.00 0.00 H new ATOM 0 HG13 VAL A 106 61.069 34.315 57.312 1.00 0.00 H new ATOM 0 HG21 VAL A 106 61.051 31.254 57.024 1.00 0.00 H new ATOM 0 HG22 VAL A 106 60.733 32.347 55.655 1.00 0.00 H new ATOM 0 HG23 VAL A 106 62.015 31.118 55.534 1.00 0.00 H new ATOM 1610 N PHE A 107 64.659 35.343 56.768 1.00 0.00 N ATOM 1611 CA PHE A 107 65.876 36.027 57.214 1.00 0.00 C ATOM 1612 C PHE A 107 65.626 36.919 58.452 1.00 0.00 C ATOM 1613 O PHE A 107 64.526 37.456 58.610 1.00 0.00 O ATOM 1614 CB PHE A 107 66.432 36.866 56.046 1.00 0.00 C ATOM 1615 CG PHE A 107 65.625 38.109 55.682 1.00 0.00 C ATOM 1616 CD1 PHE A 107 64.366 38.001 55.056 1.00 0.00 C ATOM 1617 CD2 PHE A 107 66.133 39.388 55.984 1.00 0.00 C ATOM 1618 CE1 PHE A 107 63.609 39.152 54.771 1.00 0.00 C ATOM 1619 CE2 PHE A 107 65.386 40.541 55.684 1.00 0.00 C ATOM 1620 CZ PHE A 107 64.122 40.425 55.082 1.00 0.00 C ATOM 0 H PHE A 107 63.824 35.920 56.870 1.00 0.00 H new ATOM 0 HA PHE A 107 66.604 35.273 57.515 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.447 37.174 56.295 1.00 0.00 H new ATOM 0 HB3 PHE A 107 66.500 36.228 55.165 1.00 0.00 H new ATOM 0 HD1 PHE A 107 63.980 37.027 54.793 1.00 0.00 H new ATOM 0 HD2 PHE A 107 67.103 39.484 56.449 1.00 0.00 H new ATOM 0 HE1 PHE A 107 62.635 39.059 54.314 1.00 0.00 H new ATOM 0 HE2 PHE A 107 65.785 41.517 55.917 1.00 0.00 H new ATOM 0 HZ PHE A 107 63.545 41.310 54.858 1.00 0.00 H new ATOM 1630 N PRO A 108 66.617 37.113 59.342 1.00 0.00 N ATOM 1631 CA PRO A 108 66.625 38.227 60.289 1.00 0.00 C ATOM 1632 C PRO A 108 67.101 39.506 59.584 1.00 0.00 C ATOM 1633 O PRO A 108 68.031 39.466 58.784 1.00 0.00 O ATOM 1634 CB PRO A 108 67.583 37.788 61.398 1.00 0.00 C ATOM 1635 CG PRO A 108 68.618 36.946 60.647 1.00 0.00 C ATOM 1636 CD PRO A 108 67.827 36.315 59.495 1.00 0.00 C ATOM 0 HA PRO A 108 65.639 38.456 60.693 1.00 0.00 H new ATOM 0 HB2 PRO A 108 68.042 38.642 61.896 1.00 0.00 H new ATOM 0 HB3 PRO A 108 67.072 37.208 62.166 1.00 0.00 H new ATOM 0 HG2 PRO A 108 69.438 37.561 60.277 1.00 0.00 H new ATOM 0 HG3 PRO A 108 69.056 36.185 61.293 1.00 0.00 H new ATOM 0 HD2 PRO A 108 68.412 36.316 58.575 1.00 0.00 H new ATOM 0 HD3 PRO A 108 67.582 35.276 59.715 1.00 0.00 H new ATOM 1644 N ASP A 109 66.540 40.668 59.923 1.00 0.00 N ATOM 1645 CA ASP A 109 66.946 41.974 59.356 1.00 0.00 C ATOM 1646 C ASP A 109 68.163 42.603 60.066 1.00 0.00 C ATOM 1647 O ASP A 109 68.375 43.818 60.068 1.00 0.00 O ATOM 1648 CB ASP A 109 65.733 42.903 59.246 1.00 0.00 C ATOM 1649 CG ASP A 109 65.242 43.466 60.581 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.060 42.674 61.528 1.00 0.00 O ATOM 1651 OD2 ASP A 109 64.997 44.694 60.670 1.00 0.00 O ATOM 0 H ASP A 109 65.784 40.740 60.604 1.00 0.00 H new ATOM 0 HA ASP A 109 67.310 41.801 58.343 1.00 0.00 H new ATOM 0 HB2 ASP A 109 65.986 43.733 58.587 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.916 42.358 58.773 1.00 0.00 H new ATOM 1656 N GLY A 110 68.941 41.740 60.710 1.00 0.00 N ATOM 1657 CA GLY A 110 70.146 42.045 61.494 1.00 0.00 C ATOM 1658 C GLY A 110 70.090 41.670 62.985 1.00 0.00 C ATOM 1659 O GLY A 110 71.062 41.087 63.470 1.00 0.00 O ATOM 0 H GLY A 110 68.738 40.740 60.701 1.00 0.00 H new ATOM 0 HA2 GLY A 110 70.992 41.528 61.041 1.00 0.00 H new ATOM 0 HA3 GLY A 110 70.346 43.113 61.415 1.00 0.00 H new ATOM 1663 N PRO A 111 69.008 41.984 63.733 1.00 0.00 N ATOM 1664 CA PRO A 111 68.905 41.688 65.160 1.00 0.00 C ATOM 1665 C PRO A 111 68.434 40.239 65.413 1.00 0.00 C ATOM 1666 O PRO A 111 68.523 39.374 64.541 1.00 0.00 O ATOM 1667 CB PRO A 111 67.967 42.781 65.687 1.00 0.00 C ATOM 1668 CG PRO A 111 66.956 42.929 64.556 1.00 0.00 C ATOM 1669 CD PRO A 111 67.827 42.735 63.315 1.00 0.00 C ATOM 0 HA PRO A 111 69.858 41.714 65.689 1.00 0.00 H new ATOM 0 HB2 PRO A 111 67.489 42.488 66.622 1.00 0.00 H new ATOM 0 HB3 PRO A 111 68.499 43.713 65.879 1.00 0.00 H new ATOM 0 HG2 PRO A 111 66.164 42.183 64.618 1.00 0.00 H new ATOM 0 HG3 PRO A 111 66.474 43.907 64.566 1.00 0.00 H new ATOM 0 HD2 PRO A 111 67.281 42.195 62.542 1.00 0.00 H new ATOM 0 HD3 PRO A 111 68.113 43.697 62.891 1.00 0.00 H new ATOM 1677 N LYS A 112 67.978 39.949 66.638 1.00 0.00 N ATOM 1678 CA LYS A 112 67.618 38.601 67.111 1.00 0.00 C ATOM 1679 C LYS A 112 66.495 37.950 66.290 1.00 0.00 C ATOM 1680 O LYS A 112 65.649 38.651 65.733 1.00 0.00 O ATOM 1681 CB LYS A 112 67.356 38.651 68.630 1.00 0.00 C ATOM 1682 CG LYS A 112 68.576 38.174 69.440 1.00 0.00 C ATOM 1683 CD LYS A 112 69.902 38.929 69.218 1.00 0.00 C ATOM 1684 CE LYS A 112 70.035 40.118 70.171 1.00 0.00 C ATOM 1685 NZ LYS A 112 70.586 39.683 71.474 1.00 0.00 N ATOM 0 H LYS A 112 67.844 40.666 67.351 1.00 0.00 H new ATOM 0 HA LYS A 112 68.460 37.929 66.945 1.00 0.00 H new ATOM 0 HB2 LYS A 112 67.103 39.670 68.921 1.00 0.00 H new ATOM 0 HB3 LYS A 112 66.495 38.028 68.870 1.00 0.00 H new ATOM 0 HG2 LYS A 112 68.325 38.235 70.499 1.00 0.00 H new ATOM 0 HG3 LYS A 112 68.743 37.121 69.212 1.00 0.00 H new ATOM 0 HD2 LYS A 112 70.740 38.247 69.366 1.00 0.00 H new ATOM 0 HD3 LYS A 112 69.954 39.280 68.187 1.00 0.00 H new ATOM 0 HE2 LYS A 112 70.685 40.874 69.730 1.00 0.00 H new ATOM 0 HE3 LYS A 112 69.060 40.583 70.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 70.669 40.504 72.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 69.951 38.979 71.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 71.525 39.261 71.330 1.00 0.00 H new ATOM 1699 N PRO A 113 66.462 36.601 66.213 1.00 0.00 N ATOM 1700 CA PRO A 113 65.561 35.871 65.319 1.00 0.00 C ATOM 1701 C PRO A 113 64.081 36.088 65.645 1.00 0.00 C ATOM 1702 O PRO A 113 63.223 35.860 64.794 1.00 0.00 O ATOM 1703 CB PRO A 113 65.950 34.396 65.456 1.00 0.00 C ATOM 1704 CG PRO A 113 66.552 34.308 66.853 1.00 0.00 C ATOM 1705 CD PRO A 113 67.261 35.654 66.984 1.00 0.00 C ATOM 0 HA PRO A 113 65.670 36.232 64.296 1.00 0.00 H new ATOM 0 HB2 PRO A 113 65.084 33.742 65.352 1.00 0.00 H new ATOM 0 HB3 PRO A 113 66.668 34.099 64.691 1.00 0.00 H new ATOM 0 HG2 PRO A 113 65.787 34.174 67.618 1.00 0.00 H new ATOM 0 HG3 PRO A 113 67.245 33.472 66.946 1.00 0.00 H new ATOM 0 HD2 PRO A 113 67.330 35.960 68.028 1.00 0.00 H new ATOM 0 HD3 PRO A 113 68.280 35.598 66.600 1.00 0.00 H new ATOM 1713 N THR A 114 63.783 36.608 66.835 1.00 0.00 N ATOM 1714 CA THR A 114 62.448 37.087 67.239 1.00 0.00 C ATOM 1715 C THR A 114 61.884 38.167 66.303 1.00 0.00 C ATOM 1716 O THR A 114 60.664 38.321 66.203 1.00 0.00 O ATOM 1717 CB THR A 114 62.517 37.645 68.670 1.00 0.00 C ATOM 1718 OG1 THR A 114 63.677 38.439 68.826 1.00 0.00 O ATOM 1719 CG2 THR A 114 62.611 36.511 69.692 1.00 0.00 C ATOM 0 H THR A 114 64.480 36.714 67.572 1.00 0.00 H new ATOM 0 HA THR A 114 61.775 36.231 67.184 1.00 0.00 H new ATOM 0 HB THR A 114 61.613 38.232 68.834 1.00 0.00 H new ATOM 0 HG1 THR A 114 63.712 38.792 69.740 1.00 0.00 H new ATOM 0 HG21 THR A 114 62.659 36.930 70.697 1.00 0.00 H new ATOM 0 HG22 THR A 114 61.733 35.871 69.607 1.00 0.00 H new ATOM 0 HG23 THR A 114 63.509 35.923 69.501 1.00 0.00 H new ATOM 1727 N GLY A 115 62.764 38.876 65.585 1.00 0.00 N ATOM 1728 CA GLY A 115 62.474 39.890 64.573 1.00 0.00 C ATOM 1729 C GLY A 115 62.502 39.428 63.109 1.00 0.00 C ATOM 1730 O GLY A 115 62.492 40.277 62.218 1.00 0.00 O ATOM 0 H GLY A 115 63.768 38.744 65.708 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.488 40.306 64.780 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.193 40.701 64.688 1.00 0.00 H new ATOM 1734 N GLN A 116 62.587 38.124 62.837 1.00 0.00 N ATOM 1735 CA GLN A 116 62.641 37.553 61.477 1.00 0.00 C ATOM 1736 C GLN A 116 61.499 38.016 60.550 1.00 0.00 C ATOM 1737 O GLN A 116 60.384 38.299 60.991 1.00 0.00 O ATOM 1738 CB GLN A 116 62.664 36.022 61.549 1.00 0.00 C ATOM 1739 CG GLN A 116 64.103 35.504 61.625 1.00 0.00 C ATOM 1740 CD GLN A 116 64.188 33.996 61.796 1.00 0.00 C ATOM 1741 OE1 GLN A 116 65.041 33.460 62.486 1.00 0.00 O ATOM 1742 NE2 GLN A 116 63.342 33.245 61.133 1.00 0.00 N ATOM 0 H GLN A 116 62.621 37.414 63.569 1.00 0.00 H new ATOM 0 HA GLN A 116 63.562 37.930 61.033 1.00 0.00 H new ATOM 0 HB2 GLN A 116 62.105 35.686 62.422 1.00 0.00 H new ATOM 0 HB3 GLN A 116 62.168 35.605 60.673 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.634 35.791 60.717 1.00 0.00 H new ATOM 0 HG3 GLN A 116 64.613 35.987 62.459 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.623 33.677 60.552 1.00 0.00 H new ATOM 0 HE22 GLN A 116 63.402 32.229 61.198 1.00 0.00 H new ATOM 1751 N ARG A 117 61.763 38.032 59.237 1.00 0.00 N ATOM 1752 CA ARG A 117 60.828 38.358 58.155 1.00 0.00 C ATOM 1753 C ARG A 117 61.019 37.357 57.015 1.00 0.00 C ATOM 1754 O ARG A 117 62.088 36.770 56.847 1.00 0.00 O ATOM 1755 CB ARG A 117 61.077 39.816 57.724 1.00 0.00 C ATOM 1756 CG ARG A 117 59.976 40.440 56.847 1.00 0.00 C ATOM 1757 CD ARG A 117 60.318 41.872 56.395 1.00 0.00 C ATOM 1758 NE ARG A 117 60.552 42.804 57.521 1.00 0.00 N ATOM 1759 CZ ARG A 117 60.848 44.091 57.437 1.00 0.00 C ATOM 1760 NH1 ARG A 117 60.916 44.728 56.303 1.00 0.00 N ATOM 1761 NH2 ARG A 117 61.082 44.787 58.504 1.00 0.00 N ATOM 0 H ARG A 117 62.691 37.804 58.882 1.00 0.00 H new ATOM 0 HA ARG A 117 59.790 38.280 58.478 1.00 0.00 H new ATOM 0 HB2 ARG A 117 61.196 40.427 58.619 1.00 0.00 H new ATOM 0 HB3 ARG A 117 62.021 39.861 57.180 1.00 0.00 H new ATOM 0 HG2 ARG A 117 59.818 39.814 55.969 1.00 0.00 H new ATOM 0 HG3 ARG A 117 59.038 40.453 57.402 1.00 0.00 H new ATOM 0 HD2 ARG A 117 61.208 41.844 55.766 1.00 0.00 H new ATOM 0 HD3 ARG A 117 59.504 42.255 55.779 1.00 0.00 H new ATOM 0 HE ARG A 117 60.477 42.413 58.460 1.00 0.00 H new ATOM 0 HH11 ARG A 117 60.737 44.234 55.429 1.00 0.00 H new ATOM 0 HH12 ARG A 117 61.148 45.721 56.289 1.00 0.00 H new ATOM 0 HH21 ARG A 117 61.039 44.344 59.422 1.00 0.00 H new ATOM 0 HH22 ARG A 117 61.309 45.778 58.427 1.00 0.00 H new ATOM 1775 N PHE A 118 59.975 37.157 56.227 1.00 0.00 N ATOM 1776 CA PHE A 118 59.999 36.271 55.064 1.00 0.00 C ATOM 1777 C PHE A 118 60.351 37.058 53.797 1.00 0.00 C ATOM 1778 O PHE A 118 59.911 38.196 53.622 1.00 0.00 O ATOM 1779 CB PHE A 118 58.667 35.531 54.909 1.00 0.00 C ATOM 1780 CG PHE A 118 58.196 34.727 56.114 1.00 0.00 C ATOM 1781 CD1 PHE A 118 57.595 35.361 57.220 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.308 33.324 56.108 1.00 0.00 C ATOM 1783 CE1 PHE A 118 57.145 34.607 58.317 1.00 0.00 C ATOM 1784 CE2 PHE A 118 57.867 32.566 57.208 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.290 33.209 58.317 1.00 0.00 C ATOM 0 H PHE A 118 59.073 37.609 56.375 1.00 0.00 H new ATOM 0 HA PHE A 118 60.774 35.520 55.220 1.00 0.00 H new ATOM 0 HB2 PHE A 118 57.897 36.262 54.663 1.00 0.00 H new ATOM 0 HB3 PHE A 118 58.748 34.855 54.058 1.00 0.00 H new ATOM 0 HD1 PHE A 118 57.479 36.435 57.224 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.736 32.825 55.251 1.00 0.00 H new ATOM 0 HE1 PHE A 118 56.687 35.102 59.161 1.00 0.00 H new ATOM 0 HE2 PHE A 118 57.972 31.491 57.200 1.00 0.00 H new ATOM 0 HZ PHE A 118 56.959 32.630 59.167 1.00 0.00 H new ATOM 1795 N CYS A 119 61.125 36.443 52.910 1.00 0.00 N ATOM 1796 CA CYS A 119 61.485 36.959 51.577 1.00 0.00 C ATOM 1797 C CYS A 119 61.045 36.014 50.437 1.00 0.00 C ATOM 1798 O CYS A 119 61.081 34.789 50.573 1.00 0.00 O ATOM 1799 CB CYS A 119 62.978 37.311 51.531 1.00 0.00 C ATOM 1800 SG CYS A 119 64.039 35.885 51.899 1.00 0.00 S ATOM 0 H CYS A 119 61.541 35.531 53.100 1.00 0.00 H new ATOM 0 HA CYS A 119 60.927 37.880 51.406 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.226 37.699 50.543 1.00 0.00 H new ATOM 0 HB3 CYS A 119 63.183 38.107 52.247 1.00 0.00 H new ATOM 0 HG CYS A 119 65.287 36.246 51.843 1.00 0.00 H new ATOM 1806 N ILE A 120 60.607 36.574 49.301 1.00 0.00 N ATOM 1807 CA ILE A 120 59.932 35.816 48.232 1.00 0.00 C ATOM 1808 C ILE A 120 60.399 36.229 46.822 1.00 0.00 C ATOM 1809 O ILE A 120 61.086 37.231 46.637 1.00 0.00 O ATOM 1810 CB ILE A 120 58.397 35.892 48.453 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.546 34.906 47.629 1.00 0.00 C ATOM 1812 CG2 ILE A 120 57.832 37.302 48.228 1.00 0.00 C ATOM 1813 CD1 ILE A 120 57.972 33.444 47.782 1.00 0.00 C ATOM 0 H ILE A 120 60.710 37.568 49.095 1.00 0.00 H new ATOM 0 HA ILE A 120 60.220 34.766 48.291 1.00 0.00 H new ATOM 0 HB ILE A 120 58.310 35.600 49.500 1.00 0.00 H new ATOM 0 HG12 ILE A 120 56.502 35.004 47.928 1.00 0.00 H new ATOM 0 HG13 ILE A 120 57.603 35.183 46.576 1.00 0.00 H new ATOM 0 HG21 ILE A 120 56.755 37.294 48.397 1.00 0.00 H new ATOM 0 HG22 ILE A 120 58.303 37.998 48.923 1.00 0.00 H new ATOM 0 HG23 ILE A 120 58.037 37.617 47.205 1.00 0.00 H new ATOM 0 HD11 ILE A 120 57.327 32.811 47.173 1.00 0.00 H new ATOM 0 HD12 ILE A 120 59.006 33.330 47.455 1.00 0.00 H new ATOM 0 HD13 ILE A 120 57.888 33.148 48.828 1.00 0.00 H new ATOM 1825 N ASN A 121 60.080 35.408 45.818 1.00 0.00 N ATOM 1826 CA ASN A 121 60.677 35.443 44.479 1.00 0.00 C ATOM 1827 C ASN A 121 59.675 35.188 43.334 1.00 0.00 C ATOM 1828 O ASN A 121 59.061 34.124 43.253 1.00 0.00 O ATOM 1829 CB ASN A 121 61.835 34.419 44.431 1.00 0.00 C ATOM 1830 CG ASN A 121 61.578 33.126 45.188 1.00 0.00 C ATOM 1831 OD1 ASN A 121 62.346 32.782 46.063 1.00 0.00 O ATOM 1832 ND2 ASN A 121 60.522 32.411 44.897 1.00 0.00 N ATOM 0 H ASN A 121 59.376 34.676 45.917 1.00 0.00 H new ATOM 0 HA ASN A 121 61.043 36.456 44.313 1.00 0.00 H new ATOM 0 HB2 ASN A 121 62.044 34.177 43.389 1.00 0.00 H new ATOM 0 HB3 ASN A 121 62.732 34.888 44.836 1.00 0.00 H new ATOM 0 HD21 ASN A 121 60.333 31.549 45.408 1.00 0.00 H new ATOM 0 HD22 ASN A 121 59.888 32.715 44.159 1.00 0.00 H new ATOM 1839 N SER A 122 59.627 36.099 42.360 1.00 0.00 N ATOM 1840 CA SER A 122 58.833 36.006 41.117 1.00 0.00 C ATOM 1841 C SER A 122 59.470 35.074 40.064 1.00 0.00 C ATOM 1842 O SER A 122 59.633 35.435 38.903 1.00 0.00 O ATOM 1843 CB SER A 122 58.602 37.417 40.555 1.00 0.00 C ATOM 1844 OG SER A 122 58.167 38.277 41.595 1.00 0.00 O ATOM 0 H SER A 122 60.163 36.965 42.412 1.00 0.00 H new ATOM 0 HA SER A 122 57.873 35.553 41.365 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.523 37.799 40.114 1.00 0.00 H new ATOM 0 HB3 SER A 122 57.857 37.385 39.760 1.00 0.00 H new ATOM 0 HG SER A 122 58.022 39.177 41.236 1.00 0.00 H new ATOM 1850 N VAL A 123 59.904 33.885 40.497 1.00 0.00 N ATOM 1851 CA VAL A 123 60.781 32.964 39.741 1.00 0.00 C ATOM 1852 C VAL A 123 60.112 32.370 38.499 1.00 0.00 C ATOM 1853 O VAL A 123 60.689 32.374 37.417 1.00 0.00 O ATOM 1854 CB VAL A 123 61.359 31.887 40.695 1.00 0.00 C ATOM 1855 CG1 VAL A 123 60.307 30.986 41.358 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.413 31.002 40.027 1.00 0.00 C ATOM 0 H VAL A 123 59.649 33.519 41.414 1.00 0.00 H new ATOM 0 HA VAL A 123 61.612 33.546 39.343 1.00 0.00 H new ATOM 0 HB VAL A 123 61.826 32.482 41.480 1.00 0.00 H new ATOM 0 HG11 VAL A 123 60.803 30.264 42.007 1.00 0.00 H new ATOM 0 HG12 VAL A 123 59.625 31.597 41.949 1.00 0.00 H new ATOM 0 HG13 VAL A 123 59.745 30.456 40.589 1.00 0.00 H new ATOM 0 HG21 VAL A 123 62.780 30.268 40.745 1.00 0.00 H new ATOM 0 HG22 VAL A 123 61.969 30.486 39.176 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.243 31.620 39.684 1.00 0.00 H new ATOM 1866 N ALA A 124 58.886 31.882 38.667 1.00 0.00 N ATOM 1867 CA ALA A 124 58.036 31.316 37.605 1.00 0.00 C ATOM 1868 C ALA A 124 56.540 31.226 37.977 1.00 0.00 C ATOM 1869 O ALA A 124 55.733 30.670 37.234 1.00 0.00 O ATOM 1870 CB ALA A 124 58.563 29.916 37.247 1.00 0.00 C ATOM 0 H ALA A 124 58.433 31.866 39.581 1.00 0.00 H new ATOM 0 HA ALA A 124 58.093 31.997 36.756 1.00 0.00 H new ATOM 0 HB1 ALA A 124 57.943 29.484 36.461 1.00 0.00 H new ATOM 0 HB2 ALA A 124 59.592 29.993 36.896 1.00 0.00 H new ATOM 0 HB3 ALA A 124 58.528 29.277 38.130 1.00 0.00 H new ATOM 1876 N LEU A 125 56.173 31.745 39.147 1.00 0.00 N ATOM 1877 CA LEU A 125 54.911 31.502 39.825 1.00 0.00 C ATOM 1878 C LEU A 125 53.840 32.467 39.318 1.00 0.00 C ATOM 1879 O LEU A 125 54.136 33.536 38.780 1.00 0.00 O ATOM 1880 CB LEU A 125 55.110 31.626 41.350 1.00 0.00 C ATOM 1881 CG LEU A 125 56.272 30.802 41.937 1.00 0.00 C ATOM 1882 CD1 LEU A 125 56.378 31.051 43.440 1.00 0.00 C ATOM 1883 CD2 LEU A 125 56.120 29.303 41.681 1.00 0.00 C ATOM 0 H LEU A 125 56.780 32.376 39.669 1.00 0.00 H new ATOM 0 HA LEU A 125 54.570 30.490 39.606 1.00 0.00 H new ATOM 0 HB2 LEU A 125 55.273 32.676 41.593 1.00 0.00 H new ATOM 0 HB3 LEU A 125 54.187 31.324 41.845 1.00 0.00 H new ATOM 0 HG LEU A 125 57.181 31.130 41.432 1.00 0.00 H new ATOM 0 HD11 LEU A 125 57.201 30.465 43.849 1.00 0.00 H new ATOM 0 HD12 LEU A 125 56.561 32.110 43.621 1.00 0.00 H new ATOM 0 HD13 LEU A 125 55.447 30.755 43.924 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.966 28.772 42.116 1.00 0.00 H new ATOM 0 HD22 LEU A 125 55.196 28.948 42.137 1.00 0.00 H new ATOM 0 HD23 LEU A 125 56.089 29.119 40.607 1.00 0.00 H new ATOM 1895 N LYS A 126 52.586 32.092 39.528 1.00 0.00 N ATOM 1896 CA LYS A 126 51.413 32.857 39.089 1.00 0.00 C ATOM 1897 C LYS A 126 50.728 33.609 40.232 1.00 0.00 C ATOM 1898 O LYS A 126 50.558 33.096 41.331 1.00 0.00 O ATOM 1899 CB LYS A 126 50.486 31.952 38.268 1.00 0.00 C ATOM 1900 CG LYS A 126 50.115 32.565 36.911 1.00 0.00 C ATOM 1901 CD LYS A 126 51.270 32.662 35.897 1.00 0.00 C ATOM 1902 CE LYS A 126 51.951 34.034 35.927 1.00 0.00 C ATOM 1903 NZ LYS A 126 52.849 34.244 34.776 1.00 0.00 N ATOM 0 H LYS A 126 52.344 31.231 40.018 1.00 0.00 H new ATOM 0 HA LYS A 126 51.740 33.659 38.428 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.972 30.990 38.107 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.576 31.758 38.836 1.00 0.00 H new ATOM 0 HG2 LYS A 126 49.314 31.972 36.469 1.00 0.00 H new ATOM 0 HG3 LYS A 126 49.716 33.565 37.079 1.00 0.00 H new ATOM 0 HD2 LYS A 126 52.006 31.888 36.112 1.00 0.00 H new ATOM 0 HD3 LYS A 126 50.888 32.469 34.894 1.00 0.00 H new ATOM 0 HE2 LYS A 126 51.190 34.814 35.937 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.521 34.133 36.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 53.285 35.186 34.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 53.593 33.517 34.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 52.303 34.177 33.893 1.00 0.00 H new ATOM 1917 N PHE A 127 50.404 34.880 40.003 1.00 0.00 N ATOM 1918 CA PHE A 127 49.852 35.765 41.022 1.00 0.00 C ATOM 1919 C PHE A 127 49.073 36.924 40.404 1.00 0.00 C ATOM 1920 O PHE A 127 49.500 37.493 39.399 1.00 0.00 O ATOM 1921 CB PHE A 127 50.992 36.288 41.904 1.00 0.00 C ATOM 1922 CG PHE A 127 52.170 36.934 41.195 1.00 0.00 C ATOM 1923 CD1 PHE A 127 53.244 36.142 40.742 1.00 0.00 C ATOM 1924 CD2 PHE A 127 52.212 38.329 41.004 1.00 0.00 C ATOM 1925 CE1 PHE A 127 54.336 36.734 40.083 1.00 0.00 C ATOM 1926 CE2 PHE A 127 53.308 38.923 40.353 1.00 0.00 C ATOM 1927 CZ PHE A 127 54.369 38.125 39.888 1.00 0.00 C ATOM 0 H PHE A 127 50.519 35.328 39.094 1.00 0.00 H new ATOM 0 HA PHE A 127 49.148 35.197 41.630 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.575 37.015 42.601 1.00 0.00 H new ATOM 0 HB3 PHE A 127 51.369 35.456 42.499 1.00 0.00 H new ATOM 0 HD1 PHE A 127 53.228 35.074 40.902 1.00 0.00 H new ATOM 0 HD2 PHE A 127 51.399 38.945 41.359 1.00 0.00 H new ATOM 0 HE1 PHE A 127 55.149 36.119 39.727 1.00 0.00 H new ATOM 0 HE2 PHE A 127 53.335 39.993 40.210 1.00 0.00 H new ATOM 0 HZ PHE A 127 55.207 38.581 39.382 1.00 0.00 H new ATOM 1937 N LYS A 128 47.924 37.273 40.997 1.00 0.00 N ATOM 1938 CA LYS A 128 47.096 38.424 40.613 1.00 0.00 C ATOM 1939 C LYS A 128 46.555 39.181 41.841 1.00 0.00 C ATOM 1940 O LYS A 128 46.426 38.580 42.913 1.00 0.00 O ATOM 1941 CB LYS A 128 45.970 37.953 39.678 1.00 0.00 C ATOM 1942 CG LYS A 128 46.560 37.467 38.345 1.00 0.00 C ATOM 1943 CD LYS A 128 45.474 37.115 37.341 1.00 0.00 C ATOM 1944 CE LYS A 128 46.148 36.684 36.029 1.00 0.00 C ATOM 1945 NZ LYS A 128 45.295 36.931 34.844 1.00 0.00 N ATOM 0 H LYS A 128 47.534 36.748 41.779 1.00 0.00 H new ATOM 0 HA LYS A 128 47.717 39.140 40.075 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.407 37.148 40.151 1.00 0.00 H new ATOM 0 HB3 LYS A 128 45.270 38.769 39.499 1.00 0.00 H new ATOM 0 HG2 LYS A 128 47.203 38.242 37.928 1.00 0.00 H new ATOM 0 HG3 LYS A 128 47.188 36.594 38.522 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.847 36.311 37.727 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.824 37.973 37.169 1.00 0.00 H new ATOM 0 HE2 LYS A 128 47.089 37.223 35.914 1.00 0.00 H new ATOM 0 HE3 LYS A 128 46.392 35.623 36.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 45.795 36.623 33.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 44.408 36.397 34.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 45.082 37.947 34.775 1.00 0.00 H new ATOM 1959 N PRO A 129 46.269 40.491 41.710 1.00 0.00 N ATOM 1960 CA PRO A 129 45.745 41.303 42.804 1.00 0.00 C ATOM 1961 C PRO A 129 44.260 41.029 43.093 1.00 0.00 C ATOM 1962 O PRO A 129 43.591 40.334 42.333 1.00 0.00 O ATOM 1963 CB PRO A 129 45.996 42.754 42.389 1.00 0.00 C ATOM 1964 CG PRO A 129 45.878 42.687 40.870 1.00 0.00 C ATOM 1965 CD PRO A 129 46.473 41.322 40.530 1.00 0.00 C ATOM 0 HA PRO A 129 46.244 41.062 43.743 1.00 0.00 H new ATOM 0 HB2 PRO A 129 45.263 43.433 42.824 1.00 0.00 H new ATOM 0 HB3 PRO A 129 46.979 43.102 42.705 1.00 0.00 H new ATOM 0 HG2 PRO A 129 44.841 42.766 40.543 1.00 0.00 H new ATOM 0 HG3 PRO A 129 46.427 43.496 40.388 1.00 0.00 H new ATOM 0 HD2 PRO A 129 45.983 40.889 39.658 1.00 0.00 H new ATOM 0 HD3 PRO A 129 47.533 41.407 40.291 1.00 0.00 H new ATOM 1973 N SER A 130 43.750 41.583 44.199 1.00 0.00 N ATOM 1974 CA SER A 130 42.370 41.357 44.669 1.00 0.00 C ATOM 1975 C SER A 130 41.405 42.411 44.121 1.00 0.00 C ATOM 1976 O SER A 130 40.282 42.112 43.732 1.00 0.00 O ATOM 1977 CB SER A 130 42.349 41.324 46.199 1.00 0.00 C ATOM 1978 OG SER A 130 41.794 40.130 46.714 1.00 0.00 O ATOM 0 H SER A 130 44.286 42.208 44.802 1.00 0.00 H new ATOM 0 HA SER A 130 42.028 40.394 44.290 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.366 41.438 46.574 1.00 0.00 H new ATOM 0 HB3 SER A 130 41.776 42.174 46.568 1.00 0.00 H new ATOM 0 HG SER A 130 41.806 40.160 47.693 1.00 0.00 H new ATOM 1984 N LYS A 131 41.836 43.677 44.135 1.00 0.00 N ATOM 1985 CA LYS A 131 41.098 44.836 43.629 1.00 0.00 C ATOM 1986 C LYS A 131 40.869 44.841 42.099 1.00 0.00 C ATOM 1987 O LYS A 131 41.732 44.365 41.357 1.00 0.00 O ATOM 1988 CB LYS A 131 41.868 46.096 44.046 1.00 0.00 C ATOM 1989 CG LYS A 131 42.267 46.157 45.531 1.00 0.00 C ATOM 1990 CD LYS A 131 41.116 46.010 46.535 1.00 0.00 C ATOM 1991 CE LYS A 131 40.596 44.591 46.802 1.00 0.00 C ATOM 1992 NZ LYS A 131 39.541 44.574 47.837 1.00 0.00 N ATOM 0 H LYS A 131 42.748 43.931 44.516 1.00 0.00 H new ATOM 0 HA LYS A 131 40.098 44.798 44.062 1.00 0.00 H new ATOM 0 HB2 LYS A 131 42.771 46.168 43.440 1.00 0.00 H new ATOM 0 HB3 LYS A 131 41.258 46.969 43.814 1.00 0.00 H new ATOM 0 HG2 LYS A 131 42.997 45.371 45.725 1.00 0.00 H new ATOM 0 HG3 LYS A 131 42.767 47.108 45.715 1.00 0.00 H new ATOM 0 HD2 LYS A 131 41.440 46.436 47.485 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.281 46.615 46.183 1.00 0.00 H new ATOM 0 HE2 LYS A 131 40.203 44.169 45.877 1.00 0.00 H new ATOM 0 HE3 LYS A 131 41.423 43.955 47.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 39.217 43.597 47.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 39.922 44.953 48.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 38.740 45.160 47.526 1.00 0.00 H new