USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=24 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 35 THR OG1 : rot 18:sc= 1.16 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -175:sc= 0.715 (180deg=0) USER MOD Set 2.1: A 38 TYR OH : rot -36:sc= 0.57 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.516 USER MOD Set 3.1: A 40 CYS SG : rot 150:sc= 0.664! USER MOD Set 3.2: A 43 CYS SG : rot -20:sc= -1.72! USER MOD Set 3.3: A 96 CYS SG : rot -152:sc= -5.51! USER MOD Set 3.4: A 99 CYS SG : rot -44:sc= -4.87! USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= 0.0917 K(o=0.092,f=-0.56) USER MOD Single : A 42 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00244 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 64 SER OG : rot -69:sc= 0.512 USER MOD Single : A 85 THR OG1 : rot -43:sc= 0.144 USER MOD Single : A 86 SER OG : rot 80:sc= 1.21 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.35 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 102 HIS : no HE2:sc= -0.153 K(o=-0.15,f=-2.2) USER MOD Single : A 105 HIS : no HD1:sc= -0.848 K(o=-0.85,f=-0.2) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 116 GLN : amide:sc= 0.0196 K(o=0.02,f=-1.6) USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Single : A 122 SER OG : rot -135:sc= 0.0885 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -138:sc= -0.148 (180deg=-1.64!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 558 N THR A 35 47.132 44.792 46.984 1.00 0.00 N ATOM 559 CA THR A 35 46.780 43.559 47.661 1.00 0.00 C ATOM 560 C THR A 35 46.534 42.500 46.603 1.00 0.00 C ATOM 561 O THR A 35 46.138 42.823 45.486 1.00 0.00 O ATOM 562 CB THR A 35 45.491 43.737 48.482 1.00 0.00 C ATOM 563 OG1 THR A 35 45.181 45.083 48.781 1.00 0.00 O ATOM 564 CG2 THR A 35 45.546 42.955 49.785 1.00 0.00 C ATOM 0 HA THR A 35 47.588 43.273 48.334 1.00 0.00 H new ATOM 0 HB THR A 35 44.702 43.348 47.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 45.679 45.675 48.179 1.00 0.00 H new ATOM 0 HG21 THR A 35 44.619 43.104 50.338 1.00 0.00 H new ATOM 0 HG22 THR A 35 45.672 41.894 49.568 1.00 0.00 H new ATOM 0 HG23 THR A 35 46.387 43.305 50.384 1.00 0.00 H new ATOM 572 N GLY A 36 46.673 41.234 46.969 1.00 0.00 N ATOM 573 CA GLY A 36 46.468 40.111 46.047 1.00 0.00 C ATOM 574 C GLY A 36 46.968 38.772 46.567 1.00 0.00 C ATOM 575 O GLY A 36 47.015 38.543 47.775 1.00 0.00 O ATOM 0 H GLY A 36 46.931 40.949 47.914 1.00 0.00 H new ATOM 0 HA2 GLY A 36 45.404 40.027 45.827 1.00 0.00 H new ATOM 0 HA3 GLY A 36 46.972 40.333 45.106 1.00 0.00 H new ATOM 579 N MET A 37 47.386 37.897 45.654 1.00 0.00 N ATOM 580 CA MET A 37 47.972 36.590 45.967 1.00 0.00 C ATOM 581 C MET A 37 48.893 36.057 44.859 1.00 0.00 C ATOM 582 O MET A 37 48.896 36.534 43.724 1.00 0.00 O ATOM 583 CB MET A 37 46.857 35.576 46.278 1.00 0.00 C ATOM 584 CG MET A 37 45.925 35.380 45.086 1.00 0.00 C ATOM 585 SD MET A 37 45.040 33.802 45.062 1.00 0.00 S ATOM 586 CE MET A 37 43.989 34.012 46.524 1.00 0.00 C ATOM 0 H MET A 37 47.326 38.079 44.652 1.00 0.00 H new ATOM 0 HA MET A 37 48.602 36.727 46.846 1.00 0.00 H new ATOM 0 HB2 MET A 37 47.301 34.620 46.554 1.00 0.00 H new ATOM 0 HB3 MET A 37 46.281 35.920 47.137 1.00 0.00 H new ATOM 0 HG2 MET A 37 45.195 36.189 45.077 1.00 0.00 H new ATOM 0 HG3 MET A 37 46.508 35.467 44.169 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.372 33.124 46.659 1.00 0.00 H new ATOM 0 HE2 MET A 37 44.615 34.156 47.405 1.00 0.00 H new ATOM 0 HE3 MET A 37 43.347 34.883 46.389 1.00 0.00 H new ATOM 596 N TYR A 38 49.617 35.007 45.225 1.00 0.00 N ATOM 597 CA TYR A 38 50.604 34.260 44.449 1.00 0.00 C ATOM 598 C TYR A 38 50.190 32.782 44.376 1.00 0.00 C ATOM 599 O TYR A 38 49.714 32.194 45.358 1.00 0.00 O ATOM 600 CB TYR A 38 52.008 34.394 45.070 1.00 0.00 C ATOM 601 CG TYR A 38 52.450 35.802 45.442 1.00 0.00 C ATOM 602 CD1 TYR A 38 52.002 36.382 46.645 1.00 0.00 C ATOM 603 CD2 TYR A 38 53.329 36.519 44.606 1.00 0.00 C ATOM 604 CE1 TYR A 38 52.384 37.691 46.990 1.00 0.00 C ATOM 605 CE2 TYR A 38 53.727 37.826 44.955 1.00 0.00 C ATOM 606 CZ TYR A 38 53.242 38.420 46.139 1.00 0.00 C ATOM 607 OH TYR A 38 53.584 39.695 46.457 1.00 0.00 O ATOM 0 H TYR A 38 49.520 34.618 46.163 1.00 0.00 H new ATOM 0 HA TYR A 38 50.643 34.673 43.441 1.00 0.00 H new ATOM 0 HB2 TYR A 38 52.046 33.776 45.967 1.00 0.00 H new ATOM 0 HB3 TYR A 38 52.733 33.982 44.368 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.361 35.818 47.307 1.00 0.00 H new ATOM 0 HD2 TYR A 38 53.698 36.067 43.697 1.00 0.00 H new ATOM 0 HE1 TYR A 38 52.021 38.137 47.904 1.00 0.00 H new ATOM 0 HE2 TYR A 38 54.404 38.373 44.315 1.00 0.00 H new ATOM 0 HH TYR A 38 52.821 40.143 46.878 1.00 0.00 H new ATOM 617 N HIS A 39 50.367 32.194 43.201 1.00 0.00 N ATOM 618 CA HIS A 39 49.903 30.856 42.842 1.00 0.00 C ATOM 619 C HIS A 39 50.842 30.209 41.807 1.00 0.00 C ATOM 620 O HIS A 39 51.561 30.893 41.075 1.00 0.00 O ATOM 621 CB HIS A 39 48.455 30.915 42.293 1.00 0.00 C ATOM 622 CG HIS A 39 48.009 32.247 41.741 1.00 0.00 C ATOM 623 ND1 HIS A 39 47.291 33.200 42.427 1.00 0.00 N ATOM 624 CD2 HIS A 39 48.222 32.733 40.482 1.00 0.00 C ATOM 625 CE1 HIS A 39 47.082 34.236 41.600 1.00 0.00 C ATOM 626 NE2 HIS A 39 47.642 34.005 40.402 1.00 0.00 N ATOM 0 H HIS A 39 50.860 32.655 42.436 1.00 0.00 H new ATOM 0 HA HIS A 39 49.911 30.241 43.742 1.00 0.00 H new ATOM 0 HB2 HIS A 39 48.355 30.167 41.507 1.00 0.00 H new ATOM 0 HB3 HIS A 39 47.772 30.629 43.093 1.00 0.00 H new ATOM 0 HD1 HIS A 39 46.974 33.131 43.394 1.00 0.00 H new ATOM 0 HD2 HIS A 39 48.747 32.224 39.687 1.00 0.00 H new ATOM 0 HE1 HIS A 39 46.538 35.132 41.862 1.00 0.00 H new ATOM 634 N CYS A 40 50.832 28.883 41.730 1.00 0.00 N ATOM 635 CA CYS A 40 51.716 28.136 40.864 1.00 0.00 C ATOM 636 C CYS A 40 51.274 28.103 39.380 1.00 0.00 C ATOM 637 O CYS A 40 50.157 28.455 38.995 1.00 0.00 O ATOM 638 CB CYS A 40 51.812 26.751 41.503 1.00 0.00 C ATOM 639 SG CYS A 40 53.395 25.927 41.147 1.00 0.00 S ATOM 0 H CYS A 40 50.201 28.297 42.276 1.00 0.00 H new ATOM 0 HA CYS A 40 52.692 28.617 40.795 1.00 0.00 H new ATOM 0 HB2 CYS A 40 51.689 26.843 42.582 1.00 0.00 H new ATOM 0 HB3 CYS A 40 50.993 26.130 41.140 1.00 0.00 H new ATOM 0 HG CYS A 40 53.711 25.147 42.138 1.00 0.00 H new ATOM 644 N VAL A 41 52.199 27.594 38.573 1.00 0.00 N ATOM 645 CA VAL A 41 51.983 27.071 37.209 1.00 0.00 C ATOM 646 C VAL A 41 52.696 25.717 36.988 1.00 0.00 C ATOM 647 O VAL A 41 52.841 25.241 35.860 1.00 0.00 O ATOM 648 CB VAL A 41 52.332 28.166 36.184 1.00 0.00 C ATOM 649 CG1 VAL A 41 53.838 28.354 35.993 1.00 0.00 C ATOM 650 CG2 VAL A 41 51.650 27.974 34.823 1.00 0.00 C ATOM 0 H VAL A 41 53.176 27.527 38.859 1.00 0.00 H new ATOM 0 HA VAL A 41 50.930 26.832 37.064 1.00 0.00 H new ATOM 0 HB VAL A 41 51.931 29.078 36.627 1.00 0.00 H new ATOM 0 HG11 VAL A 41 54.016 29.139 35.259 1.00 0.00 H new ATOM 0 HG12 VAL A 41 54.293 28.635 36.943 1.00 0.00 H new ATOM 0 HG13 VAL A 41 54.279 27.421 35.641 1.00 0.00 H new ATOM 0 HG21 VAL A 41 51.942 28.782 34.152 1.00 0.00 H new ATOM 0 HG22 VAL A 41 51.955 27.019 34.395 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.568 27.984 34.954 1.00 0.00 H new ATOM 660 N CYS A 42 53.157 25.087 38.075 1.00 0.00 N ATOM 661 CA CYS A 42 53.964 23.866 38.061 1.00 0.00 C ATOM 662 C CYS A 42 53.307 22.704 38.838 1.00 0.00 C ATOM 663 O CYS A 42 53.415 21.554 38.399 1.00 0.00 O ATOM 664 CB CYS A 42 55.367 24.226 38.571 1.00 0.00 C ATOM 665 SG CYS A 42 56.596 23.129 37.805 1.00 0.00 S ATOM 0 H CYS A 42 52.971 25.426 39.019 1.00 0.00 H new ATOM 0 HA CYS A 42 54.040 23.485 37.043 1.00 0.00 H new ATOM 0 HB2 CYS A 42 55.595 25.265 38.334 1.00 0.00 H new ATOM 0 HB3 CYS A 42 55.406 24.130 39.656 1.00 0.00 H new ATOM 0 HG CYS A 42 57.783 23.438 38.237 1.00 0.00 H new ATOM 671 N CYS A 43 52.569 22.987 39.915 1.00 0.00 N ATOM 672 CA CYS A 43 51.680 22.062 40.603 1.00 0.00 C ATOM 673 C CYS A 43 50.202 22.325 40.237 1.00 0.00 C ATOM 674 O CYS A 43 49.659 21.672 39.342 1.00 0.00 O ATOM 675 CB CYS A 43 51.998 22.106 42.109 1.00 0.00 C ATOM 676 SG CYS A 43 52.205 23.795 42.743 1.00 0.00 S ATOM 0 H CYS A 43 52.579 23.911 40.347 1.00 0.00 H new ATOM 0 HA CYS A 43 51.851 21.037 40.273 1.00 0.00 H new ATOM 0 HB2 CYS A 43 51.196 21.614 42.658 1.00 0.00 H new ATOM 0 HB3 CYS A 43 52.909 21.539 42.299 1.00 0.00 H new ATOM 0 HG CYS A 43 52.454 24.602 41.755 1.00 0.00 H new ATOM 681 N ASP A 44 49.551 23.245 40.955 1.00 0.00 N ATOM 682 CA ASP A 44 48.142 23.620 40.726 1.00 0.00 C ATOM 683 C ASP A 44 47.701 24.940 41.386 1.00 0.00 C ATOM 684 O ASP A 44 46.892 25.672 40.814 1.00 0.00 O ATOM 685 CB ASP A 44 47.224 22.498 41.257 1.00 0.00 C ATOM 686 CG ASP A 44 46.187 22.049 40.223 1.00 0.00 C ATOM 687 OD1 ASP A 44 45.195 22.777 39.985 1.00 0.00 O ATOM 688 OD2 ASP A 44 46.328 20.938 39.654 1.00 0.00 O ATOM 0 H ASP A 44 49.987 23.759 41.721 1.00 0.00 H new ATOM 0 HA ASP A 44 48.056 23.764 39.649 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.833 21.643 41.550 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.711 22.847 42.153 1.00 0.00 H new ATOM 693 N SER A 45 48.137 25.188 42.622 1.00 0.00 N ATOM 694 CA SER A 45 47.347 25.924 43.619 1.00 0.00 C ATOM 695 C SER A 45 47.859 27.322 44.026 1.00 0.00 C ATOM 696 O SER A 45 49.039 27.647 43.872 1.00 0.00 O ATOM 697 CB SER A 45 47.216 25.034 44.864 1.00 0.00 C ATOM 698 OG SER A 45 48.459 24.455 45.218 1.00 0.00 O ATOM 0 H SER A 45 49.049 24.885 42.964 1.00 0.00 H new ATOM 0 HA SER A 45 46.393 26.136 43.137 1.00 0.00 H new ATOM 0 HB2 SER A 45 46.838 25.625 45.698 1.00 0.00 H new ATOM 0 HB3 SER A 45 46.487 24.246 44.675 1.00 0.00 H new ATOM 0 HG SER A 45 48.344 23.896 46.015 1.00 0.00 H new ATOM 704 N PRO A 46 46.984 28.162 44.623 1.00 0.00 N ATOM 705 CA PRO A 46 47.398 29.298 45.440 1.00 0.00 C ATOM 706 C PRO A 46 47.956 28.855 46.789 1.00 0.00 C ATOM 707 O PRO A 46 47.420 27.959 47.443 1.00 0.00 O ATOM 708 CB PRO A 46 46.159 30.177 45.596 1.00 0.00 C ATOM 709 CG PRO A 46 45.009 29.172 45.532 1.00 0.00 C ATOM 710 CD PRO A 46 45.528 28.068 44.607 1.00 0.00 C ATOM 0 HA PRO A 46 48.211 29.848 44.965 1.00 0.00 H new ATOM 0 HB2 PRO A 46 46.167 30.720 46.541 1.00 0.00 H new ATOM 0 HB3 PRO A 46 46.089 30.920 44.801 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.765 28.782 46.520 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.102 29.629 45.137 1.00 0.00 H new ATOM 0 HD2 PRO A 46 45.199 27.087 44.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.142 28.197 43.596 1.00 0.00 H new ATOM 718 N LEU A 47 49.024 29.535 47.210 1.00 0.00 N ATOM 719 CA LEU A 47 49.771 29.215 48.435 1.00 0.00 C ATOM 720 C LEU A 47 50.160 30.442 49.276 1.00 0.00 C ATOM 721 O LEU A 47 50.357 30.290 50.479 1.00 0.00 O ATOM 722 CB LEU A 47 51.028 28.395 48.066 1.00 0.00 C ATOM 723 CG LEU A 47 50.777 26.937 47.647 1.00 0.00 C ATOM 724 CD1 LEU A 47 52.106 26.284 47.265 1.00 0.00 C ATOM 725 CD2 LEU A 47 50.144 26.101 48.766 1.00 0.00 C ATOM 0 H LEU A 47 49.403 30.336 46.704 1.00 0.00 H new ATOM 0 HA LEU A 47 49.100 28.632 49.066 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.544 28.903 47.252 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.703 28.396 48.921 1.00 0.00 H new ATOM 0 HG LEU A 47 50.084 26.964 46.806 1.00 0.00 H new ATOM 0 HD11 LEU A 47 51.931 25.250 46.967 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.554 26.830 46.435 1.00 0.00 H new ATOM 0 HD13 LEU A 47 52.781 26.306 48.120 1.00 0.00 H new ATOM 0 HD21 LEU A 47 49.989 25.081 48.415 1.00 0.00 H new ATOM 0 HD22 LEU A 47 50.807 26.090 49.631 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.186 26.537 49.048 1.00 0.00 H new ATOM 737 N PHE A 48 50.249 31.644 48.689 1.00 0.00 N ATOM 738 CA PHE A 48 50.638 32.850 49.438 1.00 0.00 C ATOM 739 C PHE A 48 49.742 34.038 49.082 1.00 0.00 C ATOM 740 O PHE A 48 49.400 34.237 47.921 1.00 0.00 O ATOM 741 CB PHE A 48 52.120 33.191 49.191 1.00 0.00 C ATOM 742 CG PHE A 48 53.114 32.112 49.588 1.00 0.00 C ATOM 743 CD1 PHE A 48 53.377 31.040 48.713 1.00 0.00 C ATOM 744 CD2 PHE A 48 53.798 32.187 50.818 1.00 0.00 C ATOM 745 CE1 PHE A 48 54.284 30.031 49.080 1.00 0.00 C ATOM 746 CE2 PHE A 48 54.721 31.187 51.174 1.00 0.00 C ATOM 747 CZ PHE A 48 54.960 30.104 50.309 1.00 0.00 C ATOM 0 H PHE A 48 50.058 31.808 47.701 1.00 0.00 H new ATOM 0 HA PHE A 48 50.506 32.640 50.499 1.00 0.00 H new ATOM 0 HB2 PHE A 48 52.253 33.411 48.132 1.00 0.00 H new ATOM 0 HB3 PHE A 48 52.361 34.102 49.738 1.00 0.00 H new ATOM 0 HD1 PHE A 48 52.879 30.993 47.756 1.00 0.00 H new ATOM 0 HD2 PHE A 48 53.613 33.013 51.488 1.00 0.00 H new ATOM 0 HE1 PHE A 48 54.461 29.198 48.416 1.00 0.00 H new ATOM 0 HE2 PHE A 48 55.248 31.251 52.115 1.00 0.00 H new ATOM 0 HZ PHE A 48 55.661 29.331 50.589 1.00 0.00 H new ATOM 757 N SER A 49 49.395 34.871 50.062 1.00 0.00 N ATOM 758 CA SER A 49 48.588 36.077 49.886 1.00 0.00 C ATOM 759 C SER A 49 49.366 37.345 50.231 1.00 0.00 C ATOM 760 O SER A 49 49.972 37.487 51.292 1.00 0.00 O ATOM 761 CB SER A 49 47.279 35.982 50.668 1.00 0.00 C ATOM 762 OG SER A 49 47.492 35.532 51.989 1.00 0.00 O ATOM 0 H SER A 49 49.677 34.720 51.031 1.00 0.00 H new ATOM 0 HA SER A 49 48.336 36.147 48.828 1.00 0.00 H new ATOM 0 HB2 SER A 49 46.796 36.959 50.690 1.00 0.00 H new ATOM 0 HB3 SER A 49 46.598 35.301 50.157 1.00 0.00 H new ATOM 0 HG SER A 49 46.634 35.485 52.461 1.00 0.00 H new ATOM 768 N SER A 50 49.280 38.319 49.328 1.00 0.00 N ATOM 769 CA SER A 50 49.855 39.665 49.481 1.00 0.00 C ATOM 770 C SER A 50 49.156 40.510 50.547 1.00 0.00 C ATOM 771 O SER A 50 49.601 41.608 50.857 1.00 0.00 O ATOM 772 CB SER A 50 49.804 40.417 48.157 1.00 0.00 C ATOM 773 OG SER A 50 51.100 40.723 47.682 1.00 0.00 O ATOM 0 H SER A 50 48.794 38.195 48.440 1.00 0.00 H new ATOM 0 HA SER A 50 50.885 39.511 49.804 1.00 0.00 H new ATOM 0 HB2 SER A 50 49.277 39.815 47.416 1.00 0.00 H new ATOM 0 HB3 SER A 50 49.235 41.338 48.283 1.00 0.00 H new ATOM 0 HG SER A 50 51.031 41.204 46.831 1.00 0.00 H new ATOM 779 N GLU A 51 48.072 40.021 51.144 1.00 0.00 N ATOM 780 CA GLU A 51 47.495 40.651 52.336 1.00 0.00 C ATOM 781 C GLU A 51 48.469 40.664 53.520 1.00 0.00 C ATOM 782 O GLU A 51 48.416 41.563 54.355 1.00 0.00 O ATOM 783 CB GLU A 51 46.178 39.958 52.737 1.00 0.00 C ATOM 784 CG GLU A 51 44.937 40.812 52.459 1.00 0.00 C ATOM 785 CD GLU A 51 43.753 40.582 53.423 1.00 0.00 C ATOM 786 OE1 GLU A 51 43.838 41.023 54.597 1.00 0.00 O ATOM 787 OE2 GLU A 51 42.696 40.067 52.994 1.00 0.00 O ATOM 0 H GLU A 51 47.573 39.191 50.824 1.00 0.00 H new ATOM 0 HA GLU A 51 47.287 41.689 52.074 1.00 0.00 H new ATOM 0 HB2 GLU A 51 46.091 39.016 52.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 46.212 39.714 53.799 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.222 41.863 52.503 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.600 40.615 51.441 1.00 0.00 H new ATOM 794 N LYS A 52 49.400 39.708 53.563 1.00 0.00 N ATOM 795 CA LYS A 52 50.503 39.657 54.526 1.00 0.00 C ATOM 796 C LYS A 52 51.783 40.360 54.058 1.00 0.00 C ATOM 797 O LYS A 52 52.802 40.257 54.745 1.00 0.00 O ATOM 798 CB LYS A 52 50.743 38.191 54.917 1.00 0.00 C ATOM 799 CG LYS A 52 50.145 37.909 56.281 1.00 0.00 C ATOM 800 CD LYS A 52 48.624 37.795 56.273 1.00 0.00 C ATOM 801 CE LYS A 52 48.178 38.312 57.625 1.00 0.00 C ATOM 802 NZ LYS A 52 46.782 37.935 57.920 1.00 0.00 N ATOM 0 H LYS A 52 49.408 38.925 52.909 1.00 0.00 H new ATOM 0 HA LYS A 52 50.207 40.230 55.405 1.00 0.00 H new ATOM 0 HB2 LYS A 52 50.297 37.531 54.173 1.00 0.00 H new ATOM 0 HB3 LYS A 52 51.812 37.981 54.930 1.00 0.00 H new ATOM 0 HG2 LYS A 52 50.568 36.982 56.668 1.00 0.00 H new ATOM 0 HG3 LYS A 52 50.437 38.704 56.967 1.00 0.00 H new ATOM 0 HD2 LYS A 52 48.190 38.383 55.464 1.00 0.00 H new ATOM 0 HD3 LYS A 52 48.308 36.763 56.123 1.00 0.00 H new ATOM 0 HE2 LYS A 52 48.834 37.916 58.400 1.00 0.00 H new ATOM 0 HE3 LYS A 52 48.275 39.397 57.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 46.512 38.306 58.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 46.154 38.334 57.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 46.695 36.899 57.921 1.00 0.00 H new ATOM 816 N LYS A 53 51.763 41.048 52.908 1.00 0.00 N ATOM 817 CA LYS A 53 52.941 41.713 52.324 1.00 0.00 C ATOM 818 C LYS A 53 53.502 42.756 53.293 1.00 0.00 C ATOM 819 O LYS A 53 52.765 43.574 53.840 1.00 0.00 O ATOM 820 CB LYS A 53 52.576 42.297 50.950 1.00 0.00 C ATOM 821 CG LYS A 53 53.694 43.076 50.228 1.00 0.00 C ATOM 822 CD LYS A 53 53.285 44.531 49.948 1.00 0.00 C ATOM 823 CE LYS A 53 53.042 45.286 51.261 1.00 0.00 C ATOM 824 NZ LYS A 53 52.820 46.727 51.057 1.00 0.00 N ATOM 0 H LYS A 53 50.918 41.161 52.348 1.00 0.00 H new ATOM 0 HA LYS A 53 53.738 40.987 52.163 1.00 0.00 H new ATOM 0 HB2 LYS A 53 52.254 41.480 50.304 1.00 0.00 H new ATOM 0 HB3 LYS A 53 51.720 42.961 51.075 1.00 0.00 H new ATOM 0 HG2 LYS A 53 54.598 43.063 50.837 1.00 0.00 H new ATOM 0 HG3 LYS A 53 53.935 42.579 49.289 1.00 0.00 H new ATOM 0 HD2 LYS A 53 54.066 45.030 49.375 1.00 0.00 H new ATOM 0 HD3 LYS A 53 52.381 44.550 49.339 1.00 0.00 H new ATOM 0 HE2 LYS A 53 52.177 44.858 51.766 1.00 0.00 H new ATOM 0 HE3 LYS A 53 53.898 45.145 51.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 52.661 47.187 51.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 53.655 47.146 50.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 51.987 46.867 50.451 1.00 0.00 H new ATOM 838 N TYR A 54 54.812 42.717 53.496 1.00 0.00 N ATOM 839 CA TYR A 54 55.551 43.630 54.381 1.00 0.00 C ATOM 840 C TYR A 54 55.896 44.967 53.691 1.00 0.00 C ATOM 841 O TYR A 54 55.974 45.051 52.465 1.00 0.00 O ATOM 842 CB TYR A 54 56.767 42.904 54.973 1.00 0.00 C ATOM 843 CG TYR A 54 57.833 43.799 55.588 1.00 0.00 C ATOM 844 CD1 TYR A 54 57.590 44.479 56.801 1.00 0.00 C ATOM 845 CD2 TYR A 54 59.038 44.018 54.894 1.00 0.00 C ATOM 846 CE1 TYR A 54 58.535 45.399 57.300 1.00 0.00 C ATOM 847 CE2 TYR A 54 59.993 44.919 55.401 1.00 0.00 C ATOM 848 CZ TYR A 54 59.739 45.622 56.598 1.00 0.00 C ATOM 849 OH TYR A 54 60.664 46.506 57.052 1.00 0.00 O ATOM 0 H TYR A 54 55.414 42.032 53.040 1.00 0.00 H new ATOM 0 HA TYR A 54 54.907 43.916 55.213 1.00 0.00 H new ATOM 0 HB2 TYR A 54 56.417 42.210 55.737 1.00 0.00 H new ATOM 0 HB3 TYR A 54 57.229 42.307 54.187 1.00 0.00 H new ATOM 0 HD1 TYR A 54 56.678 44.294 57.348 1.00 0.00 H new ATOM 0 HD2 TYR A 54 59.230 43.493 53.970 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.338 45.932 58.218 1.00 0.00 H new ATOM 0 HE2 TYR A 54 60.922 45.073 54.873 1.00 0.00 H new ATOM 0 HH TYR A 54 61.428 46.525 56.438 1.00 0.00 H new ATOM 933 N PRO A 61 58.565 41.626 46.998 1.00 0.00 N ATOM 934 CA PRO A 61 57.795 40.413 47.286 1.00 0.00 C ATOM 935 C PRO A 61 58.208 39.737 48.601 1.00 0.00 C ATOM 936 O PRO A 61 59.277 39.136 48.736 1.00 0.00 O ATOM 937 CB PRO A 61 57.974 39.511 46.068 1.00 0.00 C ATOM 938 CG PRO A 61 59.328 39.940 45.503 1.00 0.00 C ATOM 939 CD PRO A 61 59.350 41.438 45.786 1.00 0.00 C ATOM 0 HA PRO A 61 56.743 40.648 47.445 1.00 0.00 H new ATOM 0 HB2 PRO A 61 57.970 38.457 46.345 1.00 0.00 H new ATOM 0 HB3 PRO A 61 57.173 39.653 45.342 1.00 0.00 H new ATOM 0 HG2 PRO A 61 60.153 39.423 45.993 1.00 0.00 H new ATOM 0 HG3 PRO A 61 59.407 39.728 44.437 1.00 0.00 H new ATOM 0 HD2 PRO A 61 60.371 41.795 45.922 1.00 0.00 H new ATOM 0 HD3 PRO A 61 58.925 41.999 44.954 1.00 0.00 H new ATOM 947 N SER A 62 57.314 39.833 49.579 1.00 0.00 N ATOM 948 CA SER A 62 57.516 39.520 50.986 1.00 0.00 C ATOM 949 C SER A 62 56.207 39.073 51.651 1.00 0.00 C ATOM 950 O SER A 62 55.124 39.278 51.100 1.00 0.00 O ATOM 951 CB SER A 62 58.026 40.785 51.678 1.00 0.00 C ATOM 952 OG SER A 62 57.161 41.889 51.451 1.00 0.00 O ATOM 0 H SER A 62 56.364 40.154 49.395 1.00 0.00 H new ATOM 0 HA SER A 62 58.232 38.703 51.074 1.00 0.00 H new ATOM 0 HB2 SER A 62 58.113 40.605 52.749 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.025 41.023 51.312 1.00 0.00 H new ATOM 0 HG SER A 62 57.514 42.681 51.908 1.00 0.00 H new ATOM 958 N PHE A 63 56.286 38.486 52.846 1.00 0.00 N ATOM 959 CA PHE A 63 55.162 38.086 53.670 1.00 0.00 C ATOM 960 C PHE A 63 55.582 38.073 55.142 1.00 0.00 C ATOM 961 O PHE A 63 56.738 37.856 55.496 1.00 0.00 O ATOM 962 CB PHE A 63 54.580 36.749 53.191 1.00 0.00 C ATOM 963 CG PHE A 63 55.477 35.523 53.230 1.00 0.00 C ATOM 964 CD1 PHE A 63 56.315 35.212 52.142 1.00 0.00 C ATOM 965 CD2 PHE A 63 55.412 34.644 54.327 1.00 0.00 C ATOM 966 CE1 PHE A 63 57.077 34.027 52.155 1.00 0.00 C ATOM 967 CE2 PHE A 63 56.137 33.442 54.320 1.00 0.00 C ATOM 968 CZ PHE A 63 56.973 33.133 53.234 1.00 0.00 C ATOM 0 H PHE A 63 57.183 38.269 53.280 1.00 0.00 H new ATOM 0 HA PHE A 63 54.355 38.812 53.572 1.00 0.00 H new ATOM 0 HB2 PHE A 63 53.697 36.535 53.793 1.00 0.00 H new ATOM 0 HB3 PHE A 63 54.241 36.882 52.164 1.00 0.00 H new ATOM 0 HD1 PHE A 63 56.374 35.882 51.297 1.00 0.00 H new ATOM 0 HD2 PHE A 63 54.800 34.896 55.180 1.00 0.00 H new ATOM 0 HE1 PHE A 63 57.743 33.805 51.334 1.00 0.00 H new ATOM 0 HE2 PHE A 63 56.052 32.755 55.149 1.00 0.00 H new ATOM 0 HZ PHE A 63 57.534 32.210 53.229 1.00 0.00 H new ATOM 978 N SER A 64 54.616 38.364 55.995 1.00 0.00 N ATOM 979 CA SER A 64 54.674 38.219 57.460 1.00 0.00 C ATOM 980 C SER A 64 54.053 36.902 57.961 1.00 0.00 C ATOM 981 O SER A 64 54.505 36.356 58.964 1.00 0.00 O ATOM 982 CB SER A 64 54.037 39.439 58.132 1.00 0.00 C ATOM 983 OG SER A 64 52.744 39.704 57.620 1.00 0.00 O ATOM 0 H SER A 64 53.717 38.728 55.679 1.00 0.00 H new ATOM 0 HA SER A 64 55.726 38.170 57.742 1.00 0.00 H new ATOM 0 HB2 SER A 64 53.975 39.271 59.207 1.00 0.00 H new ATOM 0 HB3 SER A 64 54.674 40.311 57.982 1.00 0.00 H new ATOM 0 HG SER A 64 52.817 40.025 56.697 1.00 0.00 H new ATOM 989 N GLU A 65 53.095 36.340 57.217 1.00 0.00 N ATOM 990 CA GLU A 65 52.698 34.922 57.264 1.00 0.00 C ATOM 991 C GLU A 65 52.282 34.459 55.861 1.00 0.00 C ATOM 992 O GLU A 65 51.812 35.252 55.046 1.00 0.00 O ATOM 993 CB GLU A 65 51.519 34.609 58.195 1.00 0.00 C ATOM 994 CG GLU A 65 51.697 34.845 59.698 1.00 0.00 C ATOM 995 CD GLU A 65 50.606 34.084 60.471 1.00 0.00 C ATOM 996 OE1 GLU A 65 49.403 34.245 60.150 1.00 0.00 O ATOM 997 OE2 GLU A 65 50.950 33.229 61.329 1.00 0.00 O ATOM 0 H GLU A 65 52.553 36.876 56.540 1.00 0.00 H new ATOM 0 HA GLU A 65 53.575 34.402 57.650 1.00 0.00 H new ATOM 0 HB2 GLU A 65 50.667 35.203 57.864 1.00 0.00 H new ATOM 0 HB3 GLU A 65 51.252 33.562 58.052 1.00 0.00 H new ATOM 0 HG2 GLU A 65 52.684 34.508 60.015 1.00 0.00 H new ATOM 0 HG3 GLU A 65 51.638 35.911 59.919 1.00 0.00 H new ATOM 1004 N ALA A 66 52.382 33.159 55.589 1.00 0.00 N ATOM 1005 CA ALA A 66 51.804 32.558 54.391 1.00 0.00 C ATOM 1006 C ALA A 66 50.309 32.278 54.630 1.00 0.00 C ATOM 1007 O ALA A 66 49.931 31.150 54.951 1.00 0.00 O ATOM 1008 CB ALA A 66 52.617 31.305 54.039 1.00 0.00 C ATOM 0 H ALA A 66 52.866 32.494 56.193 1.00 0.00 H new ATOM 0 HA ALA A 66 51.856 33.231 53.535 1.00 0.00 H new ATOM 0 HB1 ALA A 66 52.201 30.840 53.145 1.00 0.00 H new ATOM 0 HB2 ALA A 66 53.654 31.584 53.853 1.00 0.00 H new ATOM 0 HB3 ALA A 66 52.575 30.599 54.868 1.00 0.00 H new ATOM 1162 N GLY A 78 51.315 20.046 51.392 1.00 0.00 N ATOM 1163 CA GLY A 78 52.171 19.119 50.655 1.00 0.00 C ATOM 1164 C GLY A 78 53.526 19.727 50.295 1.00 0.00 C ATOM 1165 O GLY A 78 54.188 19.232 49.387 1.00 0.00 O ATOM 0 HA2 GLY A 78 52.328 18.221 51.253 1.00 0.00 H new ATOM 0 HA3 GLY A 78 51.662 18.809 49.742 1.00 0.00 H new ATOM 1169 N ILE A 79 53.922 20.811 50.975 1.00 0.00 N ATOM 1170 CA ILE A 79 55.239 21.449 50.798 1.00 0.00 C ATOM 1171 C ILE A 79 56.353 20.698 51.552 1.00 0.00 C ATOM 1172 O ILE A 79 56.137 19.650 52.165 1.00 0.00 O ATOM 1173 CB ILE A 79 55.177 22.968 51.116 1.00 0.00 C ATOM 1174 CG1 ILE A 79 54.728 23.329 52.550 1.00 0.00 C ATOM 1175 CG2 ILE A 79 54.266 23.660 50.085 1.00 0.00 C ATOM 1176 CD1 ILE A 79 55.780 23.106 53.643 1.00 0.00 C ATOM 0 H ILE A 79 53.336 21.275 51.669 1.00 0.00 H new ATOM 0 HA ILE A 79 55.511 21.374 49.745 1.00 0.00 H new ATOM 0 HB ILE A 79 56.204 23.328 51.051 1.00 0.00 H new ATOM 0 HG12 ILE A 79 54.428 24.377 52.566 1.00 0.00 H new ATOM 0 HG13 ILE A 79 53.844 22.741 52.795 1.00 0.00 H new ATOM 0 HG21 ILE A 79 54.217 24.727 50.301 1.00 0.00 H new ATOM 0 HG22 ILE A 79 54.671 23.511 49.084 1.00 0.00 H new ATOM 0 HG23 ILE A 79 53.265 23.232 50.139 1.00 0.00 H new ATOM 0 HD11 ILE A 79 55.365 23.389 54.610 1.00 0.00 H new ATOM 0 HD12 ILE A 79 56.065 22.054 53.665 1.00 0.00 H new ATOM 0 HD13 ILE A 79 56.659 23.716 53.432 1.00 0.00 H new ATOM 1188 N LEU A 80 57.571 21.229 51.486 1.00 0.00 N ATOM 1189 CA LEU A 80 58.765 20.764 52.191 1.00 0.00 C ATOM 1190 C LEU A 80 59.623 21.979 52.588 1.00 0.00 C ATOM 1191 O LEU A 80 59.268 23.134 52.353 1.00 0.00 O ATOM 1192 CB LEU A 80 59.517 19.740 51.326 1.00 0.00 C ATOM 1193 CG LEU A 80 59.882 18.447 52.068 1.00 0.00 C ATOM 1194 CD1 LEU A 80 60.166 17.355 51.049 1.00 0.00 C ATOM 1195 CD2 LEU A 80 61.103 18.575 52.983 1.00 0.00 C ATOM 0 H LEU A 80 57.764 22.044 50.904 1.00 0.00 H new ATOM 0 HA LEU A 80 58.495 20.248 53.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 58.903 19.490 50.461 1.00 0.00 H new ATOM 0 HB3 LEU A 80 60.430 20.200 50.947 1.00 0.00 H new ATOM 0 HG LEU A 80 59.029 18.210 52.704 1.00 0.00 H new ATOM 0 HD11 LEU A 80 60.426 16.432 51.568 1.00 0.00 H new ATOM 0 HD12 LEU A 80 59.280 17.189 50.437 1.00 0.00 H new ATOM 0 HD13 LEU A 80 60.996 17.659 50.411 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.294 17.619 53.470 1.00 0.00 H new ATOM 0 HD22 LEU A 80 61.973 18.861 52.391 1.00 0.00 H new ATOM 0 HD23 LEU A 80 60.912 19.336 53.740 1.00 0.00 H new ATOM 1207 N ARG A 81 60.760 21.730 53.229 1.00 0.00 N ATOM 1208 CA ARG A 81 61.638 22.728 53.840 1.00 0.00 C ATOM 1209 C ARG A 81 63.095 22.344 53.584 1.00 0.00 C ATOM 1210 O ARG A 81 63.401 21.153 53.476 1.00 0.00 O ATOM 1211 CB ARG A 81 61.391 22.753 55.355 1.00 0.00 C ATOM 1212 CG ARG A 81 59.953 22.739 55.895 1.00 0.00 C ATOM 1213 CD ARG A 81 59.141 24.011 55.641 1.00 0.00 C ATOM 1214 NE ARG A 81 57.867 23.986 56.391 1.00 0.00 N ATOM 1215 CZ ARG A 81 57.423 24.890 57.245 1.00 0.00 C ATOM 1216 NH1 ARG A 81 58.043 26.007 57.485 1.00 0.00 N ATOM 1217 NH2 ARG A 81 56.326 24.685 57.903 1.00 0.00 N ATOM 0 H ARG A 81 61.114 20.780 53.344 1.00 0.00 H new ATOM 0 HA ARG A 81 61.432 23.709 53.411 1.00 0.00 H new ATOM 0 HB2 ARG A 81 61.907 21.893 55.783 1.00 0.00 H new ATOM 0 HB3 ARG A 81 61.877 23.645 55.749 1.00 0.00 H new ATOM 0 HG2 ARG A 81 59.424 21.896 55.449 1.00 0.00 H new ATOM 0 HG3 ARG A 81 59.989 22.560 56.970 1.00 0.00 H new ATOM 0 HD2 ARG A 81 59.724 24.884 55.936 1.00 0.00 H new ATOM 0 HD3 ARG A 81 58.937 24.110 54.575 1.00 0.00 H new ATOM 0 HE ARG A 81 57.263 23.180 56.231 1.00 0.00 H new ATOM 0 HH11 ARG A 81 58.917 26.219 57.003 1.00 0.00 H new ATOM 0 HH12 ARG A 81 57.656 26.671 58.155 1.00 0.00 H new ATOM 0 HH21 ARG A 81 55.801 23.822 57.763 1.00 0.00 H new ATOM 0 HH22 ARG A 81 55.988 25.387 58.561 1.00 0.00 H new ATOM 1231 N ARG A 82 63.996 23.326 53.583 1.00 0.00 N ATOM 1232 CA ARG A 82 65.448 23.129 53.658 1.00 0.00 C ATOM 1233 C ARG A 82 66.114 24.346 54.296 1.00 0.00 C ATOM 1234 O ARG A 82 65.935 25.480 53.874 1.00 0.00 O ATOM 1235 CB ARG A 82 66.047 22.799 52.282 1.00 0.00 C ATOM 1236 CG ARG A 82 67.252 21.852 52.423 1.00 0.00 C ATOM 1237 CD ARG A 82 66.808 20.406 52.711 1.00 0.00 C ATOM 1238 NE ARG A 82 67.934 19.455 52.746 1.00 0.00 N ATOM 1239 CZ ARG A 82 67.815 18.140 52.823 1.00 0.00 C ATOM 1240 NH1 ARG A 82 66.676 17.534 52.972 1.00 0.00 N ATOM 1241 NH2 ARG A 82 68.848 17.361 52.756 1.00 0.00 N ATOM 0 H ARG A 82 63.731 24.309 53.529 1.00 0.00 H new ATOM 0 HA ARG A 82 65.645 22.266 54.295 1.00 0.00 H new ATOM 0 HB2 ARG A 82 65.288 22.337 51.651 1.00 0.00 H new ATOM 0 HB3 ARG A 82 66.357 23.718 51.786 1.00 0.00 H new ATOM 0 HG2 ARG A 82 67.843 21.876 51.507 1.00 0.00 H new ATOM 0 HG3 ARG A 82 67.898 22.202 53.228 1.00 0.00 H new ATOM 0 HD2 ARG A 82 66.284 20.376 53.666 1.00 0.00 H new ATOM 0 HD3 ARG A 82 66.097 20.091 51.947 1.00 0.00 H new ATOM 0 HE ARG A 82 68.877 19.841 52.708 1.00 0.00 H new ATOM 0 HH11 ARG A 82 65.814 18.076 53.036 1.00 0.00 H new ATOM 0 HH12 ARG A 82 66.643 16.516 53.025 1.00 0.00 H new ATOM 0 HH21 ARG A 82 69.780 17.759 52.641 1.00 0.00 H new ATOM 0 HH22 ARG A 82 68.729 16.350 52.818 1.00 0.00 H new ATOM 1255 N LEU A 83 66.852 24.089 55.363 1.00 0.00 N ATOM 1256 CA LEU A 83 67.691 25.043 56.063 1.00 0.00 C ATOM 1257 C LEU A 83 69.096 25.118 55.450 1.00 0.00 C ATOM 1258 O LEU A 83 69.581 24.167 54.835 1.00 0.00 O ATOM 1259 CB LEU A 83 67.754 24.693 57.560 1.00 0.00 C ATOM 1260 CG LEU A 83 66.572 25.180 58.413 1.00 0.00 C ATOM 1261 CD1 LEU A 83 65.208 24.637 57.976 1.00 0.00 C ATOM 1262 CD2 LEU A 83 66.795 24.780 59.872 1.00 0.00 C ATOM 0 H LEU A 83 66.882 23.161 55.785 1.00 0.00 H new ATOM 0 HA LEU A 83 67.244 26.031 55.956 1.00 0.00 H new ATOM 0 HB2 LEU A 83 67.825 23.610 57.657 1.00 0.00 H new ATOM 0 HB3 LEU A 83 68.672 25.111 57.973 1.00 0.00 H new ATOM 0 HG LEU A 83 66.544 26.262 58.281 1.00 0.00 H new ATOM 0 HD11 LEU A 83 64.432 25.031 58.632 1.00 0.00 H new ATOM 0 HD12 LEU A 83 65.006 24.944 56.950 1.00 0.00 H new ATOM 0 HD13 LEU A 83 65.214 23.549 58.035 1.00 0.00 H new ATOM 0 HD21 LEU A 83 65.956 25.126 60.476 1.00 0.00 H new ATOM 0 HD22 LEU A 83 66.871 23.695 59.944 1.00 0.00 H new ATOM 0 HD23 LEU A 83 67.716 25.234 60.237 1.00 0.00 H new ATOM 1274 N ASP A 84 69.777 26.226 55.715 1.00 0.00 N ATOM 1275 CA ASP A 84 71.225 26.359 55.582 1.00 0.00 C ATOM 1276 C ASP A 84 71.761 26.973 56.876 1.00 0.00 C ATOM 1277 O ASP A 84 71.459 28.111 57.204 1.00 0.00 O ATOM 1278 CB ASP A 84 71.594 27.200 54.351 1.00 0.00 C ATOM 1279 CG ASP A 84 73.114 27.297 54.179 1.00 0.00 C ATOM 1280 OD1 ASP A 84 73.784 26.259 54.410 1.00 0.00 O ATOM 1281 OD2 ASP A 84 73.618 28.370 53.786 1.00 0.00 O ATOM 0 H ASP A 84 69.326 27.082 56.038 1.00 0.00 H new ATOM 0 HA ASP A 84 71.682 25.381 55.427 1.00 0.00 H new ATOM 0 HB2 ASP A 84 71.152 26.756 53.459 1.00 0.00 H new ATOM 0 HB3 ASP A 84 71.173 28.200 54.451 1.00 0.00 H new ATOM 1286 N THR A 85 72.513 26.198 57.650 1.00 0.00 N ATOM 1287 CA THR A 85 73.066 26.603 58.962 1.00 0.00 C ATOM 1288 C THR A 85 74.597 26.470 58.993 1.00 0.00 C ATOM 1289 O THR A 85 75.239 26.332 60.034 1.00 0.00 O ATOM 1290 CB THR A 85 72.327 25.847 60.082 1.00 0.00 C ATOM 1291 OG1 THR A 85 72.602 26.388 61.353 1.00 0.00 O ATOM 1292 CG2 THR A 85 72.629 24.349 60.137 1.00 0.00 C ATOM 0 H THR A 85 72.768 25.246 57.387 1.00 0.00 H new ATOM 0 HA THR A 85 72.888 27.664 59.135 1.00 0.00 H new ATOM 0 HB THR A 85 71.275 25.973 59.827 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.560 26.581 61.426 1.00 0.00 H new ATOM 0 HG21 THR A 85 72.068 23.894 60.954 1.00 0.00 H new ATOM 0 HG22 THR A 85 72.339 23.884 59.195 1.00 0.00 H new ATOM 0 HG23 THR A 85 73.696 24.199 60.302 1.00 0.00 H new ATOM 1300 N SER A 86 75.203 26.434 57.808 1.00 0.00 N ATOM 1301 CA SER A 86 76.368 25.593 57.523 1.00 0.00 C ATOM 1302 C SER A 86 77.677 26.357 57.405 1.00 0.00 C ATOM 1303 O SER A 86 78.765 25.812 57.587 1.00 0.00 O ATOM 1304 CB SER A 86 76.090 24.786 56.247 1.00 0.00 C ATOM 1305 OG SER A 86 74.706 24.525 56.065 1.00 0.00 O ATOM 0 H SER A 86 74.898 26.992 57.010 1.00 0.00 H new ATOM 0 HA SER A 86 76.506 24.933 58.379 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.471 25.332 55.384 1.00 0.00 H new ATOM 0 HB3 SER A 86 76.633 23.842 56.291 1.00 0.00 H new ATOM 0 HG SER A 86 74.271 25.316 55.683 1.00 0.00 H new ATOM 1311 N LEU A 87 77.518 27.655 57.185 1.00 0.00 N ATOM 1312 CA LEU A 87 78.573 28.667 57.085 1.00 0.00 C ATOM 1313 C LEU A 87 78.775 29.456 58.389 1.00 0.00 C ATOM 1314 O LEU A 87 79.492 30.454 58.417 1.00 0.00 O ATOM 1315 CB LEU A 87 78.326 29.576 55.868 1.00 0.00 C ATOM 1316 CG LEU A 87 78.118 28.851 54.527 1.00 0.00 C ATOM 1317 CD1 LEU A 87 77.913 29.886 53.419 1.00 0.00 C ATOM 1318 CD2 LEU A 87 79.277 27.945 54.111 1.00 0.00 C ATOM 0 H LEU A 87 76.590 28.060 57.063 1.00 0.00 H new ATOM 0 HA LEU A 87 79.517 28.146 56.927 1.00 0.00 H new ATOM 0 HB2 LEU A 87 77.448 30.190 56.068 1.00 0.00 H new ATOM 0 HB3 LEU A 87 79.173 30.254 55.766 1.00 0.00 H new ATOM 0 HG LEU A 87 77.246 28.213 54.670 1.00 0.00 H new ATOM 0 HD11 LEU A 87 77.765 29.376 52.467 1.00 0.00 H new ATOM 0 HD12 LEU A 87 77.036 30.493 53.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 78.791 30.528 53.354 1.00 0.00 H new ATOM 0 HD21 LEU A 87 79.046 27.474 53.155 1.00 0.00 H new ATOM 0 HD22 LEU A 87 80.186 28.539 54.013 1.00 0.00 H new ATOM 0 HD23 LEU A 87 79.427 27.175 54.868 1.00 0.00 H new ATOM 1330 N GLY A 88 78.102 29.012 59.454 1.00 0.00 N ATOM 1331 CA GLY A 88 78.026 29.678 60.766 1.00 0.00 C ATOM 1332 C GLY A 88 76.817 30.608 60.946 1.00 0.00 C ATOM 1333 O GLY A 88 76.524 31.042 62.063 1.00 0.00 O ATOM 0 H GLY A 88 77.571 28.142 59.429 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.999 28.915 61.544 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.937 30.256 60.918 1.00 0.00 H new ATOM 1337 N CYS A 89 76.087 30.883 59.865 1.00 0.00 N ATOM 1338 CA CYS A 89 74.846 31.666 59.857 1.00 0.00 C ATOM 1339 C CYS A 89 73.631 30.760 59.570 1.00 0.00 C ATOM 1340 O CYS A 89 73.670 30.043 58.569 1.00 0.00 O ATOM 1341 CB CYS A 89 74.987 32.784 58.816 1.00 0.00 C ATOM 1342 SG CYS A 89 73.554 33.896 58.885 1.00 0.00 S ATOM 0 H CYS A 89 76.351 30.556 58.936 1.00 0.00 H new ATOM 0 HA CYS A 89 74.675 32.113 60.836 1.00 0.00 H new ATOM 0 HB2 CYS A 89 75.902 33.347 59.000 1.00 0.00 H new ATOM 0 HB3 CYS A 89 75.073 32.353 57.819 1.00 0.00 H new ATOM 0 HG CYS A 89 73.692 34.837 57.999 1.00 0.00 H new ATOM 1348 N PRO A 90 72.573 30.763 60.408 1.00 0.00 N ATOM 1349 CA PRO A 90 71.350 30.006 60.161 1.00 0.00 C ATOM 1350 C PRO A 90 70.335 30.771 59.302 1.00 0.00 C ATOM 1351 O PRO A 90 69.927 31.891 59.611 1.00 0.00 O ATOM 1352 CB PRO A 90 70.785 29.675 61.539 1.00 0.00 C ATOM 1353 CG PRO A 90 71.215 30.878 62.383 1.00 0.00 C ATOM 1354 CD PRO A 90 72.557 31.283 61.769 1.00 0.00 C ATOM 0 HA PRO A 90 71.568 29.107 59.585 1.00 0.00 H new ATOM 0 HB2 PRO A 90 69.701 29.565 61.515 1.00 0.00 H new ATOM 0 HB3 PRO A 90 71.192 28.742 61.929 1.00 0.00 H new ATOM 0 HG2 PRO A 90 70.488 31.688 62.328 1.00 0.00 H new ATOM 0 HG3 PRO A 90 71.318 30.614 63.435 1.00 0.00 H new ATOM 0 HD2 PRO A 90 72.671 32.367 61.770 1.00 0.00 H new ATOM 0 HD3 PRO A 90 73.386 30.875 62.348 1.00 0.00 H new ATOM 1362 N ARG A 91 69.896 30.108 58.236 1.00 0.00 N ATOM 1363 CA ARG A 91 68.955 30.542 57.190 1.00 0.00 C ATOM 1364 C ARG A 91 67.933 29.419 56.949 1.00 0.00 C ATOM 1365 O ARG A 91 68.214 28.243 57.193 1.00 0.00 O ATOM 1366 CB ARG A 91 69.720 30.831 55.889 1.00 0.00 C ATOM 1367 CG ARG A 91 70.914 31.795 56.022 1.00 0.00 C ATOM 1368 CD ARG A 91 70.476 33.166 56.570 1.00 0.00 C ATOM 1369 NE ARG A 91 71.468 34.239 56.326 1.00 0.00 N ATOM 1370 CZ ARG A 91 71.830 34.768 55.169 1.00 0.00 C ATOM 1371 NH1 ARG A 91 71.278 34.390 54.053 1.00 0.00 N ATOM 1372 NH2 ARG A 91 72.761 35.675 55.100 1.00 0.00 N ATOM 0 H ARG A 91 70.219 29.157 58.059 1.00 0.00 H new ATOM 0 HA ARG A 91 68.443 31.450 57.508 1.00 0.00 H new ATOM 0 HB2 ARG A 91 70.082 29.886 55.483 1.00 0.00 H new ATOM 0 HB3 ARG A 91 69.021 31.244 55.161 1.00 0.00 H new ATOM 0 HG2 ARG A 91 71.662 31.360 56.685 1.00 0.00 H new ATOM 0 HG3 ARG A 91 71.387 31.926 55.049 1.00 0.00 H new ATOM 0 HD2 ARG A 91 69.528 33.447 56.112 1.00 0.00 H new ATOM 0 HD3 ARG A 91 70.299 33.081 57.642 1.00 0.00 H new ATOM 0 HE ARG A 91 71.929 34.617 57.153 1.00 0.00 H new ATOM 0 HH11 ARG A 91 70.552 33.673 54.060 1.00 0.00 H new ATOM 0 HH12 ARG A 91 71.571 34.810 53.171 1.00 0.00 H new ATOM 0 HH21 ARG A 91 73.228 35.992 55.950 1.00 0.00 H new ATOM 0 HH22 ARG A 91 73.024 36.069 54.196 1.00 0.00 H new ATOM 1386 N MET A 92 66.750 29.758 56.449 1.00 0.00 N ATOM 1387 CA MET A 92 65.594 28.879 56.347 1.00 0.00 C ATOM 1388 C MET A 92 64.852 29.108 55.022 1.00 0.00 C ATOM 1389 O MET A 92 64.397 30.215 54.755 1.00 0.00 O ATOM 1390 CB MET A 92 64.672 29.223 57.513 1.00 0.00 C ATOM 1391 CG MET A 92 64.914 28.433 58.799 1.00 0.00 C ATOM 1392 SD MET A 92 64.040 29.084 60.253 1.00 0.00 S ATOM 1393 CE MET A 92 62.328 28.628 59.869 1.00 0.00 C ATOM 0 H MET A 92 66.564 30.694 56.088 1.00 0.00 H new ATOM 0 HA MET A 92 65.907 27.835 56.377 1.00 0.00 H new ATOM 0 HB2 MET A 92 64.776 30.285 57.735 1.00 0.00 H new ATOM 0 HB3 MET A 92 63.641 29.063 57.198 1.00 0.00 H new ATOM 0 HG2 MET A 92 64.609 27.399 58.639 1.00 0.00 H new ATOM 0 HG3 MET A 92 65.984 28.421 59.008 1.00 0.00 H new ATOM 0 HE1 MET A 92 61.673 28.963 60.673 1.00 0.00 H new ATOM 0 HE2 MET A 92 62.026 29.101 58.935 1.00 0.00 H new ATOM 0 HE3 MET A 92 62.254 27.545 59.768 1.00 0.00 H new ATOM 1403 N GLU A 93 64.661 28.069 54.216 1.00 0.00 N ATOM 1404 CA GLU A 93 63.881 28.115 52.966 1.00 0.00 C ATOM 1405 C GLU A 93 62.780 27.033 52.922 1.00 0.00 C ATOM 1406 O GLU A 93 62.856 25.997 53.596 1.00 0.00 O ATOM 1407 CB GLU A 93 64.844 28.125 51.759 1.00 0.00 C ATOM 1408 CG GLU A 93 64.151 27.968 50.394 1.00 0.00 C ATOM 1409 CD GLU A 93 64.948 28.555 49.225 1.00 0.00 C ATOM 1410 OE1 GLU A 93 64.719 29.750 48.924 1.00 0.00 O ATOM 1411 OE2 GLU A 93 65.720 27.795 48.596 1.00 0.00 O ATOM 0 H GLU A 93 65.050 27.146 54.411 1.00 0.00 H new ATOM 0 HA GLU A 93 63.316 29.046 52.917 1.00 0.00 H new ATOM 0 HB2 GLU A 93 65.404 29.060 51.764 1.00 0.00 H new ATOM 0 HB3 GLU A 93 65.568 27.319 51.880 1.00 0.00 H new ATOM 0 HG2 GLU A 93 63.975 26.909 50.206 1.00 0.00 H new ATOM 0 HG3 GLU A 93 63.175 28.451 50.435 1.00 0.00 H new ATOM 1418 N VAL A 94 61.712 27.296 52.158 1.00 0.00 N ATOM 1419 CA VAL A 94 60.600 26.368 51.924 1.00 0.00 C ATOM 1420 C VAL A 94 60.494 26.013 50.443 1.00 0.00 C ATOM 1421 O VAL A 94 60.641 26.869 49.564 1.00 0.00 O ATOM 1422 CB VAL A 94 59.262 26.852 52.517 1.00 0.00 C ATOM 1423 CG1 VAL A 94 59.418 27.232 53.996 1.00 0.00 C ATOM 1424 CG2 VAL A 94 58.604 28.034 51.797 1.00 0.00 C ATOM 0 H VAL A 94 61.595 28.185 51.672 1.00 0.00 H new ATOM 0 HA VAL A 94 60.830 25.453 52.470 1.00 0.00 H new ATOM 0 HB VAL A 94 58.604 25.993 52.384 1.00 0.00 H new ATOM 0 HG11 VAL A 94 58.459 27.570 54.388 1.00 0.00 H new ATOM 0 HG12 VAL A 94 59.755 26.363 54.561 1.00 0.00 H new ATOM 0 HG13 VAL A 94 60.151 28.033 54.090 1.00 0.00 H new ATOM 0 HG21 VAL A 94 57.670 28.291 52.297 1.00 0.00 H new ATOM 0 HG22 VAL A 94 59.275 28.892 51.818 1.00 0.00 H new ATOM 0 HG23 VAL A 94 58.398 27.761 50.762 1.00 0.00 H new ATOM 1434 N VAL A 95 60.240 24.733 50.164 1.00 0.00 N ATOM 1435 CA VAL A 95 60.151 24.232 48.786 1.00 0.00 C ATOM 1436 C VAL A 95 58.807 23.572 48.521 1.00 0.00 C ATOM 1437 O VAL A 95 58.201 22.951 49.392 1.00 0.00 O ATOM 1438 CB VAL A 95 61.339 23.336 48.371 1.00 0.00 C ATOM 1439 CG1 VAL A 95 62.692 23.994 48.673 1.00 0.00 C ATOM 1440 CG2 VAL A 95 61.329 21.955 49.030 1.00 0.00 C ATOM 0 H VAL A 95 60.091 24.019 50.877 1.00 0.00 H new ATOM 0 HA VAL A 95 60.222 25.108 48.141 1.00 0.00 H new ATOM 0 HB VAL A 95 61.212 23.208 47.296 1.00 0.00 H new ATOM 0 HG11 VAL A 95 63.498 23.328 48.365 1.00 0.00 H new ATOM 0 HG12 VAL A 95 62.769 24.934 48.127 1.00 0.00 H new ATOM 0 HG13 VAL A 95 62.771 24.188 49.743 1.00 0.00 H new ATOM 0 HG21 VAL A 95 62.193 21.384 48.690 1.00 0.00 H new ATOM 0 HG22 VAL A 95 61.372 22.068 50.113 1.00 0.00 H new ATOM 0 HG23 VAL A 95 60.415 21.428 48.756 1.00 0.00 H new ATOM 1450 N CYS A 96 58.359 23.685 47.284 1.00 0.00 N ATOM 1451 CA CYS A 96 57.191 23.058 46.757 1.00 0.00 C ATOM 1452 C CYS A 96 57.607 21.636 46.374 1.00 0.00 C ATOM 1453 O CYS A 96 58.232 21.405 45.346 1.00 0.00 O ATOM 1454 CB CYS A 96 56.787 23.963 45.599 1.00 0.00 C ATOM 1455 SG CYS A 96 55.286 23.375 44.774 1.00 0.00 S ATOM 0 H CYS A 96 58.841 24.255 46.589 1.00 0.00 H new ATOM 0 HA CYS A 96 56.334 22.950 47.422 1.00 0.00 H new ATOM 0 HB2 CYS A 96 56.625 24.975 45.969 1.00 0.00 H new ATOM 0 HB3 CYS A 96 57.602 24.014 44.877 1.00 0.00 H new ATOM 0 HG CYS A 96 55.295 23.759 43.532 1.00 0.00 H new ATOM 1460 N LYS A 97 57.309 20.672 47.243 1.00 0.00 N ATOM 1461 CA LYS A 97 57.366 19.240 46.885 1.00 0.00 C ATOM 1462 C LYS A 97 56.331 18.886 45.808 1.00 0.00 C ATOM 1463 O LYS A 97 56.482 17.875 45.127 1.00 0.00 O ATOM 1464 CB LYS A 97 57.272 18.375 48.161 1.00 0.00 C ATOM 1465 CG LYS A 97 57.100 16.868 47.927 1.00 0.00 C ATOM 1466 CD LYS A 97 55.640 16.404 47.753 1.00 0.00 C ATOM 1467 CE LYS A 97 55.670 15.088 46.975 1.00 0.00 C ATOM 1468 NZ LYS A 97 54.350 14.702 46.421 1.00 0.00 N ATOM 0 H LYS A 97 57.024 20.849 48.206 1.00 0.00 H new ATOM 0 HA LYS A 97 58.330 19.017 46.428 1.00 0.00 H new ATOM 0 HB2 LYS A 97 58.174 18.532 48.753 1.00 0.00 H new ATOM 0 HB3 LYS A 97 56.433 18.730 48.759 1.00 0.00 H new ATOM 0 HG2 LYS A 97 57.665 16.586 47.038 1.00 0.00 H new ATOM 0 HG3 LYS A 97 57.539 16.331 48.768 1.00 0.00 H new ATOM 0 HD2 LYS A 97 55.163 16.266 48.723 1.00 0.00 H new ATOM 0 HD3 LYS A 97 55.060 17.154 47.216 1.00 0.00 H new ATOM 0 HE2 LYS A 97 56.388 15.173 46.159 1.00 0.00 H new ATOM 0 HE3 LYS A 97 56.027 14.294 47.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 54.439 13.803 45.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 53.667 14.590 47.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 54.017 15.442 45.770 1.00 0.00 H new ATOM 1482 N GLN A 98 55.295 19.710 45.648 1.00 0.00 N ATOM 1483 CA GLN A 98 54.188 19.467 44.733 1.00 0.00 C ATOM 1484 C GLN A 98 54.652 19.455 43.265 1.00 0.00 C ATOM 1485 O GLN A 98 54.152 18.651 42.473 1.00 0.00 O ATOM 1486 CB GLN A 98 53.044 20.463 44.970 1.00 0.00 C ATOM 1487 CG GLN A 98 52.483 20.394 46.400 1.00 0.00 C ATOM 1488 CD GLN A 98 51.239 19.527 46.558 1.00 0.00 C ATOM 1489 OE1 GLN A 98 50.997 18.564 45.848 1.00 0.00 O ATOM 1490 NE2 GLN A 98 50.407 19.796 47.538 1.00 0.00 N ATOM 0 H GLN A 98 55.204 20.585 46.165 1.00 0.00 H new ATOM 0 HA GLN A 98 53.798 18.471 44.944 1.00 0.00 H new ATOM 0 HB2 GLN A 98 53.401 21.474 44.773 1.00 0.00 H new ATOM 0 HB3 GLN A 98 52.242 20.264 44.259 1.00 0.00 H new ATOM 0 HG2 GLN A 98 53.261 20.013 47.062 1.00 0.00 H new ATOM 0 HG3 GLN A 98 52.248 21.405 46.732 1.00 0.00 H new ATOM 0 HE21 GLN A 98 50.580 20.594 48.150 1.00 0.00 H new ATOM 0 HE22 GLN A 98 49.588 19.207 47.687 1.00 0.00 H new ATOM 1499 N CYS A 99 55.639 20.300 42.945 1.00 0.00 N ATOM 1500 CA CYS A 99 56.241 20.493 41.624 1.00 0.00 C ATOM 1501 C CYS A 99 57.801 20.485 41.590 1.00 0.00 C ATOM 1502 O CYS A 99 58.411 20.447 40.515 1.00 0.00 O ATOM 1503 CB CYS A 99 55.642 21.804 41.123 1.00 0.00 C ATOM 1504 SG CYS A 99 56.016 23.172 42.258 1.00 0.00 S ATOM 0 H CYS A 99 56.064 20.905 43.648 1.00 0.00 H new ATOM 0 HA CYS A 99 56.011 19.646 40.977 1.00 0.00 H new ATOM 0 HB2 CYS A 99 56.036 22.032 40.132 1.00 0.00 H new ATOM 0 HB3 CYS A 99 54.562 21.698 41.020 1.00 0.00 H new ATOM 0 HG CYS A 99 55.839 22.779 43.484 1.00 0.00 H new ATOM 1509 N GLU A 100 58.427 20.451 42.769 1.00 0.00 N ATOM 1510 CA GLU A 100 59.870 20.411 43.047 1.00 0.00 C ATOM 1511 C GLU A 100 60.649 21.698 42.712 1.00 0.00 C ATOM 1512 O GLU A 100 61.619 21.681 41.947 1.00 0.00 O ATOM 1513 CB GLU A 100 60.480 19.119 42.497 1.00 0.00 C ATOM 1514 CG GLU A 100 61.710 18.705 43.296 1.00 0.00 C ATOM 1515 CD GLU A 100 62.420 17.550 42.601 1.00 0.00 C ATOM 1516 OE1 GLU A 100 61.781 16.503 42.355 1.00 0.00 O ATOM 1517 OE2 GLU A 100 63.619 17.694 42.272 1.00 0.00 O ATOM 0 H GLU A 100 57.889 20.451 43.635 1.00 0.00 H new ATOM 0 HA GLU A 100 59.980 20.385 44.131 1.00 0.00 H new ATOM 0 HB2 GLU A 100 59.738 18.321 42.528 1.00 0.00 H new ATOM 0 HB3 GLU A 100 60.753 19.259 41.451 1.00 0.00 H new ATOM 0 HG2 GLU A 100 62.389 19.551 43.398 1.00 0.00 H new ATOM 0 HG3 GLU A 100 61.417 18.409 44.303 1.00 0.00 H new ATOM 1524 N ALA A 101 60.274 22.818 43.340 1.00 0.00 N ATOM 1525 CA ALA A 101 61.007 24.082 43.274 1.00 0.00 C ATOM 1526 C ALA A 101 60.955 24.886 44.580 1.00 0.00 C ATOM 1527 O ALA A 101 59.991 24.820 45.332 1.00 0.00 O ATOM 1528 CB ALA A 101 60.474 24.903 42.092 1.00 0.00 C ATOM 0 H ALA A 101 59.436 22.870 43.919 1.00 0.00 H new ATOM 0 HA ALA A 101 62.061 23.849 43.123 1.00 0.00 H new ATOM 0 HB1 ALA A 101 61.013 25.848 42.033 1.00 0.00 H new ATOM 0 HB2 ALA A 101 60.618 24.345 41.167 1.00 0.00 H new ATOM 0 HB3 ALA A 101 59.412 25.100 42.235 1.00 0.00 H new ATOM 1534 N HIS A 102 61.986 25.688 44.848 1.00 0.00 N ATOM 1535 CA HIS A 102 61.932 26.712 45.884 1.00 0.00 C ATOM 1536 C HIS A 102 60.919 27.799 45.505 1.00 0.00 C ATOM 1537 O HIS A 102 60.820 28.183 44.334 1.00 0.00 O ATOM 1538 CB HIS A 102 63.336 27.271 46.190 1.00 0.00 C ATOM 1539 CG HIS A 102 63.948 28.261 45.214 1.00 0.00 C ATOM 1540 ND1 HIS A 102 63.491 28.591 43.957 1.00 0.00 N ATOM 1541 CD2 HIS A 102 65.016 29.081 45.472 1.00 0.00 C ATOM 1542 CE1 HIS A 102 64.250 29.586 43.476 1.00 0.00 C ATOM 1543 NE2 HIS A 102 65.206 29.911 44.357 1.00 0.00 N ATOM 0 H HIS A 102 62.877 25.644 44.354 1.00 0.00 H new ATOM 0 HA HIS A 102 61.581 26.261 46.812 1.00 0.00 H new ATOM 0 HB2 HIS A 102 63.296 27.750 47.168 1.00 0.00 H new ATOM 0 HB3 HIS A 102 64.018 26.425 46.277 1.00 0.00 H new ATOM 0 HD1 HIS A 102 62.707 28.152 43.474 1.00 0.00 H new ATOM 0 HD2 HIS A 102 65.608 29.087 46.376 1.00 0.00 H new ATOM 0 HE1 HIS A 102 64.111 30.059 42.515 1.00 0.00 H new ATOM 1551 N LEU A 103 60.181 28.302 46.493 1.00 0.00 N ATOM 1552 CA LEU A 103 59.275 29.447 46.297 1.00 0.00 C ATOM 1553 C LEU A 103 59.767 30.734 46.955 1.00 0.00 C ATOM 1554 O LEU A 103 59.631 31.837 46.418 1.00 0.00 O ATOM 1555 CB LEU A 103 57.837 29.071 46.702 1.00 0.00 C ATOM 1556 CG LEU A 103 57.250 27.832 45.998 1.00 0.00 C ATOM 1557 CD1 LEU A 103 55.807 27.626 46.463 1.00 0.00 C ATOM 1558 CD2 LEU A 103 57.235 27.930 44.472 1.00 0.00 C ATOM 0 H LEU A 103 60.189 27.936 47.445 1.00 0.00 H new ATOM 0 HA LEU A 103 59.270 29.677 45.232 1.00 0.00 H new ATOM 0 HB2 LEU A 103 57.815 28.900 47.778 1.00 0.00 H new ATOM 0 HB3 LEU A 103 57.187 29.923 46.501 1.00 0.00 H new ATOM 0 HG LEU A 103 57.900 26.999 46.267 1.00 0.00 H new ATOM 0 HD11 LEU A 103 55.387 26.751 45.968 1.00 0.00 H new ATOM 0 HD12 LEU A 103 55.791 27.475 47.542 1.00 0.00 H new ATOM 0 HD13 LEU A 103 55.214 28.505 46.210 1.00 0.00 H new ATOM 0 HD21 LEU A 103 56.807 27.019 44.053 1.00 0.00 H new ATOM 0 HD22 LEU A 103 56.633 28.787 44.168 1.00 0.00 H new ATOM 0 HD23 LEU A 103 58.254 28.054 44.105 1.00 0.00 H new ATOM 1570 N GLY A 104 60.441 30.548 48.071 1.00 0.00 N ATOM 1571 CA GLY A 104 61.089 31.547 48.880 1.00 0.00 C ATOM 1572 C GLY A 104 61.349 31.109 50.320 1.00 0.00 C ATOM 1573 O GLY A 104 61.236 29.941 50.687 1.00 0.00 O ATOM 0 H GLY A 104 60.556 29.614 48.464 1.00 0.00 H new ATOM 0 HA2 GLY A 104 62.038 31.816 48.416 1.00 0.00 H new ATOM 0 HA3 GLY A 104 60.473 32.446 48.890 1.00 0.00 H new ATOM 1577 N HIS A 105 61.743 32.081 51.129 1.00 0.00 N ATOM 1578 CA HIS A 105 62.573 31.861 52.318 1.00 0.00 C ATOM 1579 C HIS A 105 62.396 32.912 53.410 1.00 0.00 C ATOM 1580 O HIS A 105 61.610 33.851 53.300 1.00 0.00 O ATOM 1581 CB HIS A 105 64.050 31.798 51.893 1.00 0.00 C ATOM 1582 CG HIS A 105 64.534 33.019 51.165 1.00 0.00 C ATOM 1583 ND1 HIS A 105 65.111 34.134 51.727 1.00 0.00 N ATOM 1584 CD2 HIS A 105 64.486 33.211 49.814 1.00 0.00 C ATOM 1585 CE1 HIS A 105 65.408 34.984 50.732 1.00 0.00 C ATOM 1586 NE2 HIS A 105 65.006 34.489 49.552 1.00 0.00 N ATOM 0 H HIS A 105 61.495 33.059 50.982 1.00 0.00 H new ATOM 0 HA HIS A 105 62.244 30.919 52.757 1.00 0.00 H new ATOM 0 HB2 HIS A 105 64.666 31.650 52.780 1.00 0.00 H new ATOM 0 HB3 HIS A 105 64.196 30.927 51.255 1.00 0.00 H new ATOM 0 HD2 HIS A 105 64.116 32.509 49.081 1.00 0.00 H new ATOM 0 HE1 HIS A 105 65.902 35.935 50.863 1.00 0.00 H new ATOM 0 HE2 HIS A 105 65.066 34.950 48.644 1.00 0.00 H new ATOM 1594 N VAL A 106 63.152 32.727 54.487 1.00 0.00 N ATOM 1595 CA VAL A 106 63.111 33.529 55.709 1.00 0.00 C ATOM 1596 C VAL A 106 64.477 33.598 56.396 1.00 0.00 C ATOM 1597 O VAL A 106 65.290 32.671 56.353 1.00 0.00 O ATOM 1598 CB VAL A 106 61.998 33.014 56.642 1.00 0.00 C ATOM 1599 CG1 VAL A 106 62.260 31.643 57.263 1.00 0.00 C ATOM 1600 CG2 VAL A 106 61.681 33.989 57.772 1.00 0.00 C ATOM 0 H VAL A 106 63.843 31.979 54.536 1.00 0.00 H new ATOM 0 HA VAL A 106 62.868 34.557 55.441 1.00 0.00 H new ATOM 0 HB VAL A 106 61.146 32.920 55.969 1.00 0.00 H new ATOM 0 HG11 VAL A 106 61.422 31.367 57.903 1.00 0.00 H new ATOM 0 HG12 VAL A 106 62.373 30.901 56.472 1.00 0.00 H new ATOM 0 HG13 VAL A 106 63.173 31.681 57.858 1.00 0.00 H new ATOM 0 HG21 VAL A 106 60.890 33.576 58.398 1.00 0.00 H new ATOM 0 HG22 VAL A 106 62.575 34.150 58.375 1.00 0.00 H new ATOM 0 HG23 VAL A 106 61.351 34.939 57.351 1.00 0.00 H new ATOM 1610 N PHE A 107 64.724 34.751 57.003 1.00 0.00 N ATOM 1611 CA PHE A 107 65.872 35.027 57.875 1.00 0.00 C ATOM 1612 C PHE A 107 65.517 36.026 58.999 1.00 0.00 C ATOM 1613 O PHE A 107 64.626 36.859 58.801 1.00 0.00 O ATOM 1614 CB PHE A 107 67.050 35.549 57.030 1.00 0.00 C ATOM 1615 CG PHE A 107 66.937 36.991 56.552 1.00 0.00 C ATOM 1616 CD1 PHE A 107 65.966 37.367 55.601 1.00 0.00 C ATOM 1617 CD2 PHE A 107 67.809 37.971 57.067 1.00 0.00 C ATOM 1618 CE1 PHE A 107 65.867 38.704 55.176 1.00 0.00 C ATOM 1619 CE2 PHE A 107 67.716 39.306 56.635 1.00 0.00 C ATOM 1620 CZ PHE A 107 66.746 39.674 55.686 1.00 0.00 C ATOM 0 H PHE A 107 64.108 35.557 56.901 1.00 0.00 H new ATOM 0 HA PHE A 107 66.161 34.095 58.360 1.00 0.00 H new ATOM 0 HB2 PHE A 107 67.964 35.451 57.616 1.00 0.00 H new ATOM 0 HB3 PHE A 107 67.160 34.905 56.158 1.00 0.00 H new ATOM 0 HD1 PHE A 107 65.295 36.624 55.197 1.00 0.00 H new ATOM 0 HD2 PHE A 107 68.554 37.695 57.799 1.00 0.00 H new ATOM 0 HE1 PHE A 107 65.113 38.986 54.456 1.00 0.00 H new ATOM 0 HE2 PHE A 107 68.391 40.050 57.033 1.00 0.00 H new ATOM 0 HZ PHE A 107 66.677 40.698 55.350 1.00 0.00 H new ATOM 1630 N PRO A 108 66.209 36.001 60.157 1.00 0.00 N ATOM 1631 CA PRO A 108 66.131 37.056 61.168 1.00 0.00 C ATOM 1632 C PRO A 108 66.966 38.277 60.756 1.00 0.00 C ATOM 1633 O PRO A 108 68.108 38.137 60.322 1.00 0.00 O ATOM 1634 CB PRO A 108 66.653 36.413 62.454 1.00 0.00 C ATOM 1635 CG PRO A 108 67.695 35.416 61.944 1.00 0.00 C ATOM 1636 CD PRO A 108 67.139 34.963 60.591 1.00 0.00 C ATOM 0 HA PRO A 108 65.115 37.431 61.296 1.00 0.00 H new ATOM 0 HB2 PRO A 108 67.095 37.151 63.123 1.00 0.00 H new ATOM 0 HB3 PRO A 108 65.857 35.916 63.008 1.00 0.00 H new ATOM 0 HG2 PRO A 108 68.675 35.881 61.838 1.00 0.00 H new ATOM 0 HG3 PRO A 108 67.813 34.576 62.629 1.00 0.00 H new ATOM 0 HD2 PRO A 108 67.942 34.833 59.865 1.00 0.00 H new ATOM 0 HD3 PRO A 108 66.633 34.002 60.682 1.00 0.00 H new ATOM 1644 N ASP A 109 66.439 39.490 60.940 1.00 0.00 N ATOM 1645 CA ASP A 109 67.147 40.733 60.568 1.00 0.00 C ATOM 1646 C ASP A 109 68.183 41.239 61.596 1.00 0.00 C ATOM 1647 O ASP A 109 68.870 42.246 61.381 1.00 0.00 O ATOM 1648 CB ASP A 109 66.131 41.805 60.148 1.00 0.00 C ATOM 1649 CG ASP A 109 65.344 42.451 61.295 1.00 0.00 C ATOM 1650 OD1 ASP A 109 65.420 41.989 62.456 1.00 0.00 O ATOM 1651 OD2 ASP A 109 64.631 43.444 61.014 1.00 0.00 O ATOM 0 H ASP A 109 65.517 39.646 61.347 1.00 0.00 H new ATOM 0 HA ASP A 109 67.773 40.487 59.710 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.659 42.589 59.606 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.423 41.357 59.451 1.00 0.00 H new ATOM 1656 N GLY A 110 68.321 40.504 62.697 1.00 0.00 N ATOM 1657 CA GLY A 110 69.198 40.805 63.829 1.00 0.00 C ATOM 1658 C GLY A 110 68.914 39.993 65.106 1.00 0.00 C ATOM 1659 O GLY A 110 69.846 39.366 65.615 1.00 0.00 O ATOM 0 H GLY A 110 67.798 39.638 62.832 1.00 0.00 H new ATOM 0 HA2 GLY A 110 70.230 40.629 63.526 1.00 0.00 H new ATOM 0 HA3 GLY A 110 69.112 41.866 64.064 1.00 0.00 H new ATOM 1663 N PRO A 111 67.678 40.002 65.648 1.00 0.00 N ATOM 1664 CA PRO A 111 67.352 39.458 66.970 1.00 0.00 C ATOM 1665 C PRO A 111 66.864 37.992 66.901 1.00 0.00 C ATOM 1666 O PRO A 111 67.219 37.241 65.992 1.00 0.00 O ATOM 1667 CB PRO A 111 66.314 40.460 67.502 1.00 0.00 C ATOM 1668 CG PRO A 111 65.483 40.757 66.258 1.00 0.00 C ATOM 1669 CD PRO A 111 66.533 40.761 65.148 1.00 0.00 C ATOM 0 HA PRO A 111 68.208 39.375 67.639 1.00 0.00 H new ATOM 0 HB2 PRO A 111 65.710 40.033 68.303 1.00 0.00 H new ATOM 0 HB3 PRO A 111 66.784 41.359 67.902 1.00 0.00 H new ATOM 0 HG2 PRO A 111 64.719 39.998 66.090 1.00 0.00 H new ATOM 0 HG3 PRO A 111 64.969 41.715 66.333 1.00 0.00 H new ATOM 0 HD2 PRO A 111 66.136 40.309 64.239 1.00 0.00 H new ATOM 0 HD3 PRO A 111 66.825 41.780 64.896 1.00 0.00 H new ATOM 1677 N LYS A 112 66.055 37.585 67.892 1.00 0.00 N ATOM 1678 CA LYS A 112 65.335 36.297 67.990 1.00 0.00 C ATOM 1679 C LYS A 112 64.454 35.998 66.759 1.00 0.00 C ATOM 1680 O LYS A 112 64.215 36.903 65.958 1.00 0.00 O ATOM 1681 CB LYS A 112 64.488 36.298 69.286 1.00 0.00 C ATOM 1682 CG LYS A 112 65.163 35.488 70.404 1.00 0.00 C ATOM 1683 CD LYS A 112 66.397 36.166 70.994 1.00 0.00 C ATOM 1684 CE LYS A 112 65.990 37.376 71.848 1.00 0.00 C ATOM 1685 NZ LYS A 112 66.945 37.598 72.954 1.00 0.00 N ATOM 0 H LYS A 112 65.872 38.181 68.699 1.00 0.00 H new ATOM 0 HA LYS A 112 66.077 35.500 68.022 1.00 0.00 H new ATOM 0 HB2 LYS A 112 64.335 37.324 69.621 1.00 0.00 H new ATOM 0 HB3 LYS A 112 63.503 35.881 69.078 1.00 0.00 H new ATOM 0 HG2 LYS A 112 64.440 35.313 71.201 1.00 0.00 H new ATOM 0 HG3 LYS A 112 65.448 34.512 70.012 1.00 0.00 H new ATOM 0 HD2 LYS A 112 66.954 35.454 71.603 1.00 0.00 H new ATOM 0 HD3 LYS A 112 67.061 36.487 70.192 1.00 0.00 H new ATOM 0 HE2 LYS A 112 65.942 38.267 71.221 1.00 0.00 H new ATOM 0 HE3 LYS A 112 64.991 37.218 72.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 66.644 38.422 73.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 66.971 36.756 73.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 67.893 37.772 72.564 1.00 0.00 H new ATOM 1699 N PRO A 113 63.876 34.783 66.621 1.00 0.00 N ATOM 1700 CA PRO A 113 62.898 34.479 65.570 1.00 0.00 C ATOM 1701 C PRO A 113 61.631 35.360 65.581 1.00 0.00 C ATOM 1702 O PRO A 113 60.830 35.298 64.646 1.00 0.00 O ATOM 1703 CB PRO A 113 62.548 32.995 65.728 1.00 0.00 C ATOM 1704 CG PRO A 113 62.904 32.687 67.179 1.00 0.00 C ATOM 1705 CD PRO A 113 64.113 33.585 67.420 1.00 0.00 C ATOM 0 HA PRO A 113 63.347 34.702 64.602 1.00 0.00 H new ATOM 0 HB2 PRO A 113 61.493 32.810 65.528 1.00 0.00 H new ATOM 0 HB3 PRO A 113 63.118 32.374 65.036 1.00 0.00 H new ATOM 0 HG2 PRO A 113 62.083 32.921 67.857 1.00 0.00 H new ATOM 0 HG3 PRO A 113 63.146 31.634 67.323 1.00 0.00 H new ATOM 0 HD2 PRO A 113 64.214 33.832 68.477 1.00 0.00 H new ATOM 0 HD3 PRO A 113 65.036 33.089 67.119 1.00 0.00 H new ATOM 1713 N THR A 114 61.462 36.222 66.585 1.00 0.00 N ATOM 1714 CA THR A 114 60.514 37.353 66.571 1.00 0.00 C ATOM 1715 C THR A 114 60.805 38.375 65.462 1.00 0.00 C ATOM 1716 O THR A 114 59.888 39.050 65.003 1.00 0.00 O ATOM 1717 CB THR A 114 60.574 38.095 67.915 1.00 0.00 C ATOM 1718 OG1 THR A 114 61.921 38.299 68.291 1.00 0.00 O ATOM 1719 CG2 THR A 114 59.907 37.300 69.036 1.00 0.00 C ATOM 0 H THR A 114 61.991 36.157 67.455 1.00 0.00 H new ATOM 0 HA THR A 114 59.530 36.921 66.388 1.00 0.00 H new ATOM 0 HB THR A 114 60.049 39.040 67.777 1.00 0.00 H new ATOM 0 HG1 THR A 114 61.953 38.774 69.148 1.00 0.00 H new ATOM 0 HG21 THR A 114 59.972 37.861 69.968 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.860 37.129 68.788 1.00 0.00 H new ATOM 0 HG23 THR A 114 60.413 36.342 69.153 1.00 0.00 H new ATOM 1727 N GLY A 115 62.063 38.479 65.019 1.00 0.00 N ATOM 1728 CA GLY A 115 62.550 39.365 63.959 1.00 0.00 C ATOM 1729 C GLY A 115 62.718 38.724 62.583 1.00 0.00 C ATOM 1730 O GLY A 115 63.381 39.294 61.716 1.00 0.00 O ATOM 0 H GLY A 115 62.812 37.912 65.416 1.00 0.00 H new ATOM 0 HA2 GLY A 115 61.860 40.204 63.867 1.00 0.00 H new ATOM 0 HA3 GLY A 115 63.511 39.776 64.268 1.00 0.00 H new ATOM 1734 N GLN A 116 62.183 37.521 62.376 1.00 0.00 N ATOM 1735 CA GLN A 116 62.175 36.887 61.064 1.00 0.00 C ATOM 1736 C GLN A 116 61.322 37.658 60.047 1.00 0.00 C ATOM 1737 O GLN A 116 60.170 38.003 60.311 1.00 0.00 O ATOM 1738 CB GLN A 116 61.710 35.439 61.195 1.00 0.00 C ATOM 1739 CG GLN A 116 62.737 34.586 61.953 1.00 0.00 C ATOM 1740 CD GLN A 116 63.178 33.364 61.174 1.00 0.00 C ATOM 1741 OE1 GLN A 116 64.128 33.384 60.410 1.00 0.00 O ATOM 1742 NE2 GLN A 116 62.491 32.263 61.352 1.00 0.00 N ATOM 0 H GLN A 116 61.746 36.964 63.110 1.00 0.00 H new ATOM 0 HA GLN A 116 63.194 36.900 60.678 1.00 0.00 H new ATOM 0 HB2 GLN A 116 60.754 35.408 61.717 1.00 0.00 H new ATOM 0 HB3 GLN A 116 61.546 35.017 60.203 1.00 0.00 H new ATOM 0 HG2 GLN A 116 63.609 35.197 62.185 1.00 0.00 H new ATOM 0 HG3 GLN A 116 62.308 34.269 62.904 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.698 32.255 61.993 1.00 0.00 H new ATOM 0 HE22 GLN A 116 62.749 31.414 60.850 1.00 0.00 H new ATOM 1751 N ARG A 117 61.882 37.878 58.855 1.00 0.00 N ATOM 1752 CA ARG A 117 61.211 38.486 57.701 1.00 0.00 C ATOM 1753 C ARG A 117 61.360 37.556 56.503 1.00 0.00 C ATOM 1754 O ARG A 117 62.432 36.999 56.259 1.00 0.00 O ATOM 1755 CB ARG A 117 61.757 39.895 57.411 1.00 0.00 C ATOM 1756 CG ARG A 117 61.668 40.842 58.626 1.00 0.00 C ATOM 1757 CD ARG A 117 61.986 42.304 58.276 1.00 0.00 C ATOM 1758 NE ARG A 117 63.375 42.472 57.810 1.00 0.00 N ATOM 1759 CZ ARG A 117 63.829 43.403 56.989 1.00 0.00 C ATOM 1760 NH1 ARG A 117 63.090 44.361 56.509 1.00 0.00 N ATOM 1761 NH2 ARG A 117 65.070 43.402 56.602 1.00 0.00 N ATOM 0 H ARG A 117 62.851 37.629 58.659 1.00 0.00 H new ATOM 0 HA ARG A 117 60.151 38.613 57.920 1.00 0.00 H new ATOM 0 HB2 ARG A 117 62.797 39.817 57.095 1.00 0.00 H new ATOM 0 HB3 ARG A 117 61.202 40.329 56.579 1.00 0.00 H new ATOM 0 HG2 ARG A 117 60.665 40.786 59.050 1.00 0.00 H new ATOM 0 HG3 ARG A 117 62.359 40.501 59.396 1.00 0.00 H new ATOM 0 HD2 ARG A 117 61.300 42.649 57.502 1.00 0.00 H new ATOM 0 HD3 ARG A 117 61.819 42.931 59.152 1.00 0.00 H new ATOM 0 HE ARG A 117 64.057 41.799 58.158 1.00 0.00 H new ATOM 0 HH11 ARG A 117 62.104 44.421 56.763 1.00 0.00 H new ATOM 0 HH12 ARG A 117 63.497 45.052 55.879 1.00 0.00 H new ATOM 0 HH21 ARG A 117 65.707 42.677 56.932 1.00 0.00 H new ATOM 0 HH22 ARG A 117 65.407 44.127 55.968 1.00 0.00 H new ATOM 1775 N PHE A 118 60.259 37.360 55.788 1.00 0.00 N ATOM 1776 CA PHE A 118 60.145 36.377 54.718 1.00 0.00 C ATOM 1777 C PHE A 118 60.154 37.058 53.343 1.00 0.00 C ATOM 1778 O PHE A 118 59.507 38.085 53.125 1.00 0.00 O ATOM 1779 CB PHE A 118 58.911 35.474 54.871 1.00 0.00 C ATOM 1780 CG PHE A 118 58.604 34.843 56.227 1.00 0.00 C ATOM 1781 CD1 PHE A 118 58.214 35.627 57.332 1.00 0.00 C ATOM 1782 CD2 PHE A 118 58.605 33.440 56.358 1.00 0.00 C ATOM 1783 CE1 PHE A 118 57.885 35.023 58.558 1.00 0.00 C ATOM 1784 CE2 PHE A 118 58.269 32.831 57.581 1.00 0.00 C ATOM 1785 CZ PHE A 118 57.917 33.624 58.685 1.00 0.00 C ATOM 0 H PHE A 118 59.402 37.892 55.939 1.00 0.00 H new ATOM 0 HA PHE A 118 61.020 35.731 54.794 1.00 0.00 H new ATOM 0 HB2 PHE A 118 58.040 36.060 54.579 1.00 0.00 H new ATOM 0 HB3 PHE A 118 59.008 34.664 54.148 1.00 0.00 H new ATOM 0 HD1 PHE A 118 58.168 36.702 57.236 1.00 0.00 H new ATOM 0 HD2 PHE A 118 58.867 32.825 55.510 1.00 0.00 H new ATOM 0 HE1 PHE A 118 57.607 35.635 59.403 1.00 0.00 H new ATOM 0 HE2 PHE A 118 58.282 31.755 57.671 1.00 0.00 H new ATOM 0 HZ PHE A 118 57.672 33.160 59.629 1.00 0.00 H new ATOM 1795 N CYS A 119 60.872 36.441 52.411 1.00 0.00 N ATOM 1796 CA CYS A 119 61.126 36.904 51.050 1.00 0.00 C ATOM 1797 C CYS A 119 60.640 35.846 50.051 1.00 0.00 C ATOM 1798 O CYS A 119 60.900 34.659 50.240 1.00 0.00 O ATOM 1799 CB CYS A 119 62.619 37.171 50.878 1.00 0.00 C ATOM 1800 SG CYS A 119 63.249 38.322 52.140 1.00 0.00 S ATOM 0 H CYS A 119 61.322 35.545 52.598 1.00 0.00 H new ATOM 0 HA CYS A 119 60.583 37.830 50.862 1.00 0.00 H new ATOM 0 HB2 CYS A 119 63.166 36.230 50.939 1.00 0.00 H new ATOM 0 HB3 CYS A 119 62.803 37.583 49.886 1.00 0.00 H new ATOM 0 HG CYS A 119 64.521 38.516 51.954 1.00 0.00 H new ATOM 1806 N ILE A 120 59.972 36.248 48.969 1.00 0.00 N ATOM 1807 CA ILE A 120 59.414 35.315 47.980 1.00 0.00 C ATOM 1808 C ILE A 120 59.668 35.825 46.552 1.00 0.00 C ATOM 1809 O ILE A 120 60.171 36.936 46.378 1.00 0.00 O ATOM 1810 CB ILE A 120 57.934 35.040 48.335 1.00 0.00 C ATOM 1811 CG1 ILE A 120 57.502 33.658 47.831 1.00 0.00 C ATOM 1812 CG2 ILE A 120 56.978 36.161 47.894 1.00 0.00 C ATOM 1813 CD1 ILE A 120 56.234 33.127 48.491 1.00 0.00 C ATOM 0 H ILE A 120 59.801 37.229 48.750 1.00 0.00 H new ATOM 0 HA ILE A 120 59.918 34.349 48.012 1.00 0.00 H new ATOM 0 HB ILE A 120 57.865 35.033 49.423 1.00 0.00 H new ATOM 0 HG12 ILE A 120 57.345 33.708 46.754 1.00 0.00 H new ATOM 0 HG13 ILE A 120 58.313 32.950 48.003 1.00 0.00 H new ATOM 0 HG21 ILE A 120 55.958 35.901 48.175 1.00 0.00 H new ATOM 0 HG22 ILE A 120 57.262 37.094 48.381 1.00 0.00 H new ATOM 0 HG23 ILE A 120 57.036 36.284 46.813 1.00 0.00 H new ATOM 0 HD11 ILE A 120 55.994 32.146 48.081 1.00 0.00 H new ATOM 0 HD12 ILE A 120 56.391 33.043 49.566 1.00 0.00 H new ATOM 0 HD13 ILE A 120 55.409 33.812 48.298 1.00 0.00 H new ATOM 1825 N ASN A 121 59.432 35.011 45.522 1.00 0.00 N ATOM 1826 CA ASN A 121 59.825 35.328 44.143 1.00 0.00 C ATOM 1827 C ASN A 121 58.780 34.958 43.071 1.00 0.00 C ATOM 1828 O ASN A 121 57.872 34.175 43.329 1.00 0.00 O ATOM 1829 CB ASN A 121 61.195 34.685 43.881 1.00 0.00 C ATOM 1830 CG ASN A 121 61.106 33.342 43.171 1.00 0.00 C ATOM 1831 OD1 ASN A 121 61.231 33.278 41.960 1.00 0.00 O ATOM 1832 ND2 ASN A 121 60.841 32.261 43.861 1.00 0.00 N ATOM 0 H ASN A 121 58.962 34.111 45.618 1.00 0.00 H new ATOM 0 HA ASN A 121 59.891 36.412 44.052 1.00 0.00 H new ATOM 0 HB2 ASN A 121 61.799 35.366 43.281 1.00 0.00 H new ATOM 0 HB3 ASN A 121 61.713 34.552 44.831 1.00 0.00 H new ATOM 0 HD21 ASN A 121 60.739 31.365 43.385 1.00 0.00 H new ATOM 0 HD22 ASN A 121 60.737 32.315 44.874 1.00 0.00 H new ATOM 1839 N SER A 122 58.975 35.483 41.854 1.00 0.00 N ATOM 1840 CA SER A 122 58.077 35.299 40.703 1.00 0.00 C ATOM 1841 C SER A 122 58.820 34.945 39.398 1.00 0.00 C ATOM 1842 O SER A 122 58.451 35.423 38.326 1.00 0.00 O ATOM 1843 CB SER A 122 57.205 36.547 40.497 1.00 0.00 C ATOM 1844 OG SER A 122 56.527 36.929 41.681 1.00 0.00 O ATOM 0 H SER A 122 59.784 36.064 41.636 1.00 0.00 H new ATOM 0 HA SER A 122 57.444 34.444 40.942 1.00 0.00 H new ATOM 0 HB2 SER A 122 57.830 37.372 40.156 1.00 0.00 H new ATOM 0 HB3 SER A 122 56.476 36.353 39.710 1.00 0.00 H new ATOM 0 HG SER A 122 55.595 37.145 41.469 1.00 0.00 H new ATOM 1850 N VAL A 123 59.901 34.152 39.456 1.00 0.00 N ATOM 1851 CA VAL A 123 60.702 33.793 38.258 1.00 0.00 C ATOM 1852 C VAL A 123 59.904 32.970 37.241 1.00 0.00 C ATOM 1853 O VAL A 123 59.887 33.261 36.043 1.00 0.00 O ATOM 1854 CB VAL A 123 62.002 33.063 38.662 1.00 0.00 C ATOM 1855 CG1 VAL A 123 61.821 31.623 39.191 1.00 0.00 C ATOM 1856 CG2 VAL A 123 62.992 33.026 37.492 1.00 0.00 C ATOM 0 H VAL A 123 60.248 33.741 40.322 1.00 0.00 H new ATOM 0 HA VAL A 123 60.968 34.728 37.765 1.00 0.00 H new ATOM 0 HB VAL A 123 62.384 33.653 39.495 1.00 0.00 H new ATOM 0 HG11 VAL A 123 62.794 31.204 39.445 1.00 0.00 H new ATOM 0 HG12 VAL A 123 61.189 31.638 40.079 1.00 0.00 H new ATOM 0 HG13 VAL A 123 61.351 31.009 38.422 1.00 0.00 H new ATOM 0 HG21 VAL A 123 63.900 32.507 37.800 1.00 0.00 H new ATOM 0 HG22 VAL A 123 62.541 32.500 36.650 1.00 0.00 H new ATOM 0 HG23 VAL A 123 63.240 34.044 37.193 1.00 0.00 H new ATOM 1866 N ALA A 124 59.225 31.950 37.756 1.00 0.00 N ATOM 1867 CA ALA A 124 58.495 30.933 36.994 1.00 0.00 C ATOM 1868 C ALA A 124 57.080 30.665 37.556 1.00 0.00 C ATOM 1869 O ALA A 124 56.539 29.576 37.380 1.00 0.00 O ATOM 1870 CB ALA A 124 59.378 29.674 36.953 1.00 0.00 C ATOM 0 H ALA A 124 59.164 31.800 38.763 1.00 0.00 H new ATOM 0 HA ALA A 124 58.309 31.286 35.979 1.00 0.00 H new ATOM 0 HB1 ALA A 124 58.868 28.890 36.393 1.00 0.00 H new ATOM 0 HB2 ALA A 124 60.325 29.910 36.468 1.00 0.00 H new ATOM 0 HB3 ALA A 124 59.567 29.329 37.969 1.00 0.00 H new ATOM 1876 N LEU A 125 56.506 31.637 38.278 1.00 0.00 N ATOM 1877 CA LEU A 125 55.325 31.506 39.137 1.00 0.00 C ATOM 1878 C LEU A 125 54.351 32.665 38.877 1.00 0.00 C ATOM 1879 O LEU A 125 54.766 33.741 38.434 1.00 0.00 O ATOM 1880 CB LEU A 125 55.771 31.518 40.613 1.00 0.00 C ATOM 1881 CG LEU A 125 56.805 30.445 41.010 1.00 0.00 C ATOM 1882 CD1 LEU A 125 57.393 30.787 42.377 1.00 0.00 C ATOM 1883 CD2 LEU A 125 56.185 29.049 41.048 1.00 0.00 C ATOM 0 H LEU A 125 56.875 32.588 38.277 1.00 0.00 H new ATOM 0 HA LEU A 125 54.817 30.567 38.914 1.00 0.00 H new ATOM 0 HB2 LEU A 125 56.189 32.499 40.839 1.00 0.00 H new ATOM 0 HB3 LEU A 125 54.888 31.395 41.241 1.00 0.00 H new ATOM 0 HG LEU A 125 57.592 30.438 40.256 1.00 0.00 H new ATOM 0 HD11 LEU A 125 58.124 30.029 42.659 1.00 0.00 H new ATOM 0 HD12 LEU A 125 57.880 31.761 42.330 1.00 0.00 H new ATOM 0 HD13 LEU A 125 56.595 30.815 43.119 1.00 0.00 H new ATOM 0 HD21 LEU A 125 56.945 28.321 41.332 1.00 0.00 H new ATOM 0 HD22 LEU A 125 55.375 29.030 41.777 1.00 0.00 H new ATOM 0 HD23 LEU A 125 55.792 28.798 40.063 1.00 0.00 H new ATOM 1895 N LYS A 126 53.061 32.462 39.159 1.00 0.00 N ATOM 1896 CA LYS A 126 51.990 33.422 38.825 1.00 0.00 C ATOM 1897 C LYS A 126 51.477 34.209 40.040 1.00 0.00 C ATOM 1898 O LYS A 126 51.609 33.792 41.188 1.00 0.00 O ATOM 1899 CB LYS A 126 50.881 32.686 38.061 1.00 0.00 C ATOM 1900 CG LYS A 126 51.330 32.361 36.624 1.00 0.00 C ATOM 1901 CD LYS A 126 50.663 33.224 35.544 1.00 0.00 C ATOM 1902 CE LYS A 126 50.957 34.717 35.721 1.00 0.00 C ATOM 1903 NZ LYS A 126 50.322 35.522 34.656 1.00 0.00 N ATOM 0 H LYS A 126 52.722 31.623 39.629 1.00 0.00 H new ATOM 0 HA LYS A 126 52.404 34.193 38.176 1.00 0.00 H new ATOM 0 HB2 LYS A 126 50.623 31.765 38.583 1.00 0.00 H new ATOM 0 HB3 LYS A 126 49.981 33.301 38.035 1.00 0.00 H new ATOM 0 HG2 LYS A 126 52.411 32.486 36.556 1.00 0.00 H new ATOM 0 HG3 LYS A 126 51.117 31.312 36.418 1.00 0.00 H new ATOM 0 HD2 LYS A 126 51.009 32.903 34.562 1.00 0.00 H new ATOM 0 HD3 LYS A 126 49.585 33.064 35.570 1.00 0.00 H new ATOM 0 HE2 LYS A 126 50.594 35.048 36.694 1.00 0.00 H new ATOM 0 HE3 LYS A 126 52.035 34.881 35.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 50.540 36.528 34.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 50.687 35.222 33.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 49.292 35.383 34.684 1.00 0.00 H new ATOM 1917 N PHE A 127 50.900 35.384 39.795 1.00 0.00 N ATOM 1918 CA PHE A 127 50.269 36.223 40.805 1.00 0.00 C ATOM 1919 C PHE A 127 49.156 37.089 40.199 1.00 0.00 C ATOM 1920 O PHE A 127 49.223 37.450 39.023 1.00 0.00 O ATOM 1921 CB PHE A 127 51.346 37.087 41.476 1.00 0.00 C ATOM 1922 CG PHE A 127 52.181 37.949 40.543 1.00 0.00 C ATOM 1923 CD1 PHE A 127 51.705 39.209 40.130 1.00 0.00 C ATOM 1924 CD2 PHE A 127 53.430 37.491 40.078 1.00 0.00 C ATOM 1925 CE1 PHE A 127 52.466 40.003 39.254 1.00 0.00 C ATOM 1926 CE2 PHE A 127 54.195 38.290 39.207 1.00 0.00 C ATOM 1927 CZ PHE A 127 53.714 39.546 38.798 1.00 0.00 C ATOM 0 H PHE A 127 50.859 35.788 38.859 1.00 0.00 H new ATOM 0 HA PHE A 127 49.797 35.588 41.555 1.00 0.00 H new ATOM 0 HB2 PHE A 127 50.861 37.738 42.204 1.00 0.00 H new ATOM 0 HB3 PHE A 127 52.017 36.431 42.031 1.00 0.00 H new ATOM 0 HD1 PHE A 127 50.751 39.567 40.488 1.00 0.00 H new ATOM 0 HD2 PHE A 127 53.801 36.526 40.390 1.00 0.00 H new ATOM 0 HE1 PHE A 127 52.092 40.963 38.932 1.00 0.00 H new ATOM 0 HE2 PHE A 127 55.152 37.938 38.853 1.00 0.00 H new ATOM 0 HZ PHE A 127 54.304 40.160 38.133 1.00 0.00 H new ATOM 1937 N LYS A 128 48.163 37.471 41.013 1.00 0.00 N ATOM 1938 CA LYS A 128 47.099 38.435 40.674 1.00 0.00 C ATOM 1939 C LYS A 128 46.800 39.378 41.849 1.00 0.00 C ATOM 1940 O LYS A 128 46.928 38.953 43.001 1.00 0.00 O ATOM 1941 CB LYS A 128 45.804 37.704 40.287 1.00 0.00 C ATOM 1942 CG LYS A 128 45.880 36.986 38.934 1.00 0.00 C ATOM 1943 CD LYS A 128 44.674 36.074 38.667 1.00 0.00 C ATOM 1944 CE LYS A 128 43.321 36.789 38.502 1.00 0.00 C ATOM 1945 NZ LYS A 128 42.716 37.188 39.796 1.00 0.00 N ATOM 0 H LYS A 128 48.072 37.106 41.961 1.00 0.00 H new ATOM 0 HA LYS A 128 47.459 39.021 39.829 1.00 0.00 H new ATOM 0 HB2 LYS A 128 45.563 36.976 41.061 1.00 0.00 H new ATOM 0 HB3 LYS A 128 44.986 38.423 40.261 1.00 0.00 H new ATOM 0 HG2 LYS A 128 45.949 37.728 38.139 1.00 0.00 H new ATOM 0 HG3 LYS A 128 46.793 36.392 38.896 1.00 0.00 H new ATOM 0 HD2 LYS A 128 44.871 35.496 37.764 1.00 0.00 H new ATOM 0 HD3 LYS A 128 44.591 35.363 39.489 1.00 0.00 H new ATOM 0 HE2 LYS A 128 43.458 37.675 37.882 1.00 0.00 H new ATOM 0 HE3 LYS A 128 42.631 36.132 37.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 41.696 36.988 39.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 43.161 36.651 40.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 42.867 38.205 39.951 1.00 0.00 H new ATOM 1959 N PRO A 129 46.349 40.621 41.595 1.00 0.00 N ATOM 1960 CA PRO A 129 45.854 41.508 42.644 1.00 0.00 C ATOM 1961 C PRO A 129 44.456 41.106 43.146 1.00 0.00 C ATOM 1962 O PRO A 129 43.803 40.235 42.568 1.00 0.00 O ATOM 1963 CB PRO A 129 45.852 42.904 42.019 1.00 0.00 C ATOM 1964 CG PRO A 129 45.529 42.606 40.556 1.00 0.00 C ATOM 1965 CD PRO A 129 46.248 41.279 40.298 1.00 0.00 C ATOM 0 HA PRO A 129 46.486 41.459 43.531 1.00 0.00 H new ATOM 0 HB2 PRO A 129 45.105 43.553 42.476 1.00 0.00 H new ATOM 0 HB3 PRO A 129 46.816 43.400 42.130 1.00 0.00 H new ATOM 0 HG2 PRO A 129 44.455 42.520 40.391 1.00 0.00 H new ATOM 0 HG3 PRO A 129 45.891 43.394 39.896 1.00 0.00 H new ATOM 0 HD2 PRO A 129 45.692 40.664 39.590 1.00 0.00 H new ATOM 0 HD3 PRO A 129 47.235 41.447 39.867 1.00 0.00 H new ATOM 1973 N SER A 130 44.002 41.755 44.224 1.00 0.00 N ATOM 1974 CA SER A 130 42.733 41.455 44.905 1.00 0.00 C ATOM 1975 C SER A 130 41.633 42.449 44.531 1.00 0.00 C ATOM 1976 O SER A 130 40.511 42.053 44.227 1.00 0.00 O ATOM 1977 CB SER A 130 42.956 41.427 46.416 1.00 0.00 C ATOM 1978 OG SER A 130 42.633 40.171 46.968 1.00 0.00 O ATOM 0 H SER A 130 44.517 42.521 44.659 1.00 0.00 H new ATOM 0 HA SER A 130 42.393 40.473 44.574 1.00 0.00 H new ATOM 0 HB2 SER A 130 43.997 41.663 46.634 1.00 0.00 H new ATOM 0 HB3 SER A 130 42.348 42.199 46.888 1.00 0.00 H new ATOM 0 HG SER A 130 42.789 40.189 47.935 1.00 0.00 H new ATOM 1984 N LYS A 131 41.967 43.745 44.550 1.00 0.00 N ATOM 1985 CA LYS A 131 41.146 44.884 44.145 1.00 0.00 C ATOM 1986 C LYS A 131 40.530 44.795 42.728 1.00 0.00 C ATOM 1987 O LYS A 131 41.021 44.043 41.879 1.00 0.00 O ATOM 1988 CB LYS A 131 42.052 46.132 44.253 1.00 0.00 C ATOM 1989 CG LYS A 131 42.654 46.362 45.657 1.00 0.00 C ATOM 1990 CD LYS A 131 41.565 46.463 46.731 1.00 0.00 C ATOM 1991 CE LYS A 131 41.366 45.210 47.590 1.00 0.00 C ATOM 1992 NZ LYS A 131 42.333 45.141 48.709 1.00 0.00 N ATOM 0 H LYS A 131 42.887 44.043 44.874 1.00 0.00 H new ATOM 0 HA LYS A 131 40.278 44.918 44.803 1.00 0.00 H new ATOM 0 HB2 LYS A 131 42.865 46.040 43.533 1.00 0.00 H new ATOM 0 HB3 LYS A 131 41.474 47.012 43.970 1.00 0.00 H new ATOM 0 HG2 LYS A 131 43.331 45.544 45.901 1.00 0.00 H new ATOM 0 HG3 LYS A 131 43.247 47.276 45.653 1.00 0.00 H new ATOM 0 HD2 LYS A 131 41.804 47.299 47.389 1.00 0.00 H new ATOM 0 HD3 LYS A 131 40.620 46.702 46.244 1.00 0.00 H new ATOM 0 HE2 LYS A 131 40.351 45.201 47.988 1.00 0.00 H new ATOM 0 HE3 LYS A 131 41.471 44.323 46.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 42.218 44.238 49.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 43.301 45.208 48.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 42.160 45.928 49.366 1.00 0.00 H new