USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 68 THR OG1 : rot 180:sc= 0.399 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.149 X(o=0.55,f=0.53) USER MOD Set 2.1: A 53 TYR OH : rot 89:sc= -0.286! USER MOD Set 2.2: A 111 HIS : no HE2:sc= -2.83! C(o=-3.1!,f=-7.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0.689) USER MOD Single : A 52 THR OG1 : rot 125:sc= 1.2 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 104:sc= 1.3 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.96) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -1.12 (180deg=-2.29!) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0156 (180deg=-0.213) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc=-0.00916 (180deg=-0.14) USER MOD Single : A 76 MET CE :methyl 174:sc= -0.545 (180deg=-0.637) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.24) USER MOD Single : A 79 SER OG : rot 62:sc= 0.989 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.12) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -0.121! (180deg=-0.961!) USER MOD Single : A 91 LYS NZ :NH3+ -142:sc= -0.828 (180deg=-2.57!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.76! C(o=-1.8!,f=-2.9!) USER MOD Single : A 114 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.26) USER MOD Single : A 116 LYS NZ :NH3+ -142:sc= 0.591 (180deg=-1.73) USER MOD Single : A 120 HIS : no HE2:sc= -0.513 K(o=-0.51,f=-2.2!) USER MOD Single : A 129 HIS : no HD1:sc= -0.678 X(o=-0.68,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.468 1.145 -3.919 1.00 0.83 N ATOM 588 CA VAL A 45 -4.142 2.065 -4.987 1.00 0.83 C ATOM 589 C VAL A 45 -2.709 1.840 -5.522 1.00 0.65 C ATOM 590 O VAL A 45 -2.226 2.584 -6.371 1.00 0.73 O ATOM 591 CB VAL A 45 -4.282 3.503 -4.446 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.275 4.536 -5.566 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.549 3.637 -3.596 1.00 1.20 C ATOM 0 HA VAL A 45 -4.826 1.896 -5.819 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.414 3.701 -3.817 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.376 5.535 -5.141 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.337 4.469 -6.117 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.108 4.344 -6.243 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.631 4.658 -3.223 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.422 3.402 -4.205 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.497 2.946 -2.754 1.00 1.20 H new ATOM 603 N VAL A 46 -2.026 0.812 -5.032 1.00 0.48 N ATOM 604 CA VAL A 46 -0.665 0.532 -5.484 1.00 0.34 C ATOM 605 C VAL A 46 -0.646 -0.492 -6.606 1.00 0.33 C ATOM 606 O VAL A 46 0.284 -0.521 -7.407 1.00 0.40 O ATOM 607 CB VAL A 46 0.261 0.100 -4.300 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.035 -1.179 -4.584 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.232 1.220 -3.976 1.00 0.53 C ATOM 0 H VAL A 46 -2.385 0.165 -4.330 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.264 1.462 -5.886 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.388 -0.103 -3.448 1.00 0.33 H new ATOM 0 HG11 VAL A 46 1.659 -1.425 -3.725 1.00 0.66 H new ATOM 0 HG12 VAL A 46 0.335 -1.994 -4.770 1.00 0.66 H new ATOM 0 HG13 VAL A 46 1.666 -1.035 -5.461 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.876 0.916 -3.151 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.843 1.437 -4.852 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.676 2.113 -3.692 1.00 0.53 H new ATOM 619 N GLY A 47 -1.697 -1.289 -6.709 1.00 0.42 N ATOM 620 CA GLY A 47 -1.771 -2.258 -7.784 1.00 0.54 C ATOM 621 C GLY A 47 -1.848 -1.588 -9.144 1.00 0.56 C ATOM 622 O GLY A 47 -1.643 -2.221 -10.178 1.00 0.72 O ATOM 0 H GLY A 47 -2.495 -1.284 -6.074 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.897 -2.908 -7.748 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.646 -2.893 -7.642 1.00 0.54 H new ATOM 626 N LYS A 48 -2.131 -0.290 -9.134 1.00 0.49 N ATOM 627 CA LYS A 48 -2.236 0.478 -10.358 1.00 0.60 C ATOM 628 C LYS A 48 -1.014 1.362 -10.582 1.00 0.54 C ATOM 629 O LYS A 48 -0.649 1.643 -11.721 1.00 0.67 O ATOM 630 CB LYS A 48 -3.483 1.353 -10.315 1.00 0.76 C ATOM 631 CG LYS A 48 -3.647 2.147 -9.030 1.00 0.94 C ATOM 632 CD LYS A 48 -4.870 3.048 -9.084 1.00 1.43 C ATOM 633 CE LYS A 48 -6.149 2.243 -9.221 1.00 2.26 C ATOM 634 NZ LYS A 48 -7.348 3.115 -9.323 1.00 2.97 N ATOM 0 H LYS A 48 -2.292 0.250 -8.284 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.299 -0.231 -11.183 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.455 2.046 -11.155 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.361 0.721 -10.452 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.735 1.462 -8.187 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -2.756 2.751 -8.858 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -4.916 3.655 -8.180 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -4.780 3.735 -9.925 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -6.085 1.609 -10.106 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -6.254 1.581 -8.362 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -8.200 2.525 -9.415 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -7.424 3.702 -8.468 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -7.261 3.729 -10.158 1.00 2.97 H new ATOM 648 N ASP A 49 -0.366 1.774 -9.500 1.00 0.45 N ATOM 649 CA ASP A 49 0.699 2.768 -9.592 1.00 0.50 C ATOM 650 C ASP A 49 2.057 2.106 -9.371 1.00 0.40 C ATOM 651 O ASP A 49 3.099 2.756 -9.391 1.00 0.40 O ATOM 652 CB ASP A 49 0.444 3.875 -8.559 1.00 0.68 C ATOM 653 CG ASP A 49 1.145 5.183 -8.882 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.506 5.392 -10.067 1.00 1.83 O ATOM 655 OD2 ASP A 49 1.368 5.994 -7.958 1.00 1.58 O ATOM 0 H ASP A 49 -0.556 1.440 -8.555 1.00 0.45 H new ATOM 0 HA ASP A 49 0.706 3.213 -10.587 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.629 4.055 -8.490 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.773 3.529 -7.579 1.00 0.68 H new ATOM 660 N LYS A 50 2.018 0.785 -9.184 1.00 0.37 N ATOM 661 CA LYS A 50 3.205 -0.026 -8.942 1.00 0.35 C ATOM 662 C LYS A 50 4.254 0.142 -10.049 1.00 0.35 C ATOM 663 O LYS A 50 5.427 0.310 -9.741 1.00 0.35 O ATOM 664 CB LYS A 50 2.823 -1.509 -8.816 1.00 0.39 C ATOM 665 CG LYS A 50 3.980 -2.390 -8.368 1.00 0.48 C ATOM 666 CD LYS A 50 3.615 -3.863 -8.402 1.00 0.63 C ATOM 667 CE LYS A 50 4.780 -4.729 -7.956 1.00 0.80 C ATOM 668 NZ LYS A 50 5.998 -4.496 -8.778 1.00 1.13 N ATOM 0 H LYS A 50 1.152 0.247 -9.197 1.00 0.37 H new ATOM 0 HA LYS A 50 3.645 0.321 -8.007 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.003 -1.607 -8.104 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.454 -1.866 -9.778 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.841 -2.214 -9.013 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.277 -2.113 -7.357 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.757 -4.042 -7.755 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.316 -4.143 -9.412 1.00 0.63 H new ATOM 0 HE2 LYS A 50 5.005 -4.523 -6.910 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.496 -5.779 -8.020 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.671 -5.276 -8.631 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.735 -4.451 -9.783 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 6.441 -3.599 -8.495 1.00 1.13 H new ATOM 682 N PRO A 51 3.867 0.081 -11.351 1.00 0.39 N ATOM 683 CA PRO A 51 4.816 0.261 -12.461 1.00 0.43 C ATOM 684 C PRO A 51 5.573 1.580 -12.377 1.00 0.37 C ATOM 685 O PRO A 51 6.704 1.676 -12.844 1.00 0.36 O ATOM 686 CB PRO A 51 3.941 0.230 -13.718 1.00 0.56 C ATOM 687 CG PRO A 51 2.540 0.391 -13.236 1.00 0.55 C ATOM 688 CD PRO A 51 2.509 -0.192 -11.855 1.00 0.45 C ATOM 0 HA PRO A 51 5.584 -0.512 -12.449 1.00 0.43 H new ATOM 0 HB2 PRO A 51 4.214 1.031 -14.405 1.00 0.56 H new ATOM 0 HB3 PRO A 51 4.064 -0.709 -14.258 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.250 1.442 -13.223 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.840 -0.125 -13.893 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.746 0.279 -11.235 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.292 -1.260 -11.872 1.00 0.45 H new ATOM 696 N THR A 52 4.966 2.577 -11.744 1.00 0.36 N ATOM 697 CA THR A 52 5.601 3.870 -11.582 1.00 0.36 C ATOM 698 C THR A 52 6.750 3.737 -10.593 1.00 0.29 C ATOM 699 O THR A 52 7.872 4.192 -10.833 1.00 0.32 O ATOM 700 CB THR A 52 4.599 4.917 -11.062 1.00 0.44 C ATOM 701 OG1 THR A 52 3.370 4.844 -11.805 1.00 0.60 O ATOM 702 CG2 THR A 52 5.175 6.321 -11.168 1.00 0.50 C ATOM 0 H THR A 52 4.034 2.510 -11.336 1.00 0.36 H new ATOM 0 HA THR A 52 5.971 4.202 -12.552 1.00 0.36 H new ATOM 0 HB THR A 52 4.401 4.699 -10.013 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.621 4.719 -11.186 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.448 7.042 -10.794 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.087 6.386 -10.575 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.403 6.543 -12.211 1.00 0.50 H new ATOM 710 N TYR A 53 6.474 3.049 -9.505 1.00 0.25 N ATOM 711 CA TYR A 53 7.459 2.868 -8.462 1.00 0.24 C ATOM 712 C TYR A 53 8.483 1.833 -8.902 1.00 0.22 C ATOM 713 O TYR A 53 9.624 1.833 -8.447 1.00 0.24 O ATOM 714 CB TYR A 53 6.786 2.375 -7.192 1.00 0.27 C ATOM 715 CG TYR A 53 5.526 3.115 -6.793 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.509 4.490 -6.601 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.344 2.420 -6.592 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.349 5.144 -6.220 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.189 3.063 -6.213 1.00 0.68 C ATOM 720 CZ TYR A 53 3.192 4.418 -6.024 1.00 0.62 C ATOM 721 OH TYR A 53 2.028 5.051 -5.648 1.00 0.79 O ATOM 0 H TYR A 53 5.574 2.606 -9.321 1.00 0.25 H new ATOM 0 HA TYR A 53 7.949 3.823 -8.272 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.543 1.320 -7.316 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.501 2.443 -6.372 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.415 5.059 -6.751 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.330 1.350 -6.736 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.350 6.215 -6.077 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.280 2.499 -6.065 1.00 0.68 H new ATOM 0 HH TYR A 53 1.535 5.331 -6.447 1.00 0.79 H new ATOM 731 N ASP A 54 8.065 0.968 -9.819 1.00 0.21 N ATOM 732 CA ASP A 54 8.933 -0.083 -10.347 1.00 0.23 C ATOM 733 C ASP A 54 9.907 0.475 -11.380 1.00 0.22 C ATOM 734 O ASP A 54 11.070 0.072 -11.433 1.00 0.23 O ATOM 735 CB ASP A 54 8.081 -1.192 -10.973 1.00 0.31 C ATOM 736 CG ASP A 54 8.895 -2.300 -11.616 1.00 0.58 C ATOM 737 OD1 ASP A 54 9.243 -3.276 -10.914 1.00 1.16 O ATOM 738 OD2 ASP A 54 9.221 -2.177 -12.812 1.00 1.14 O ATOM 0 H ASP A 54 7.125 0.973 -10.215 1.00 0.21 H new ATOM 0 HA ASP A 54 9.515 -0.494 -9.522 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.441 -1.624 -10.204 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.425 -0.753 -11.724 1.00 0.31 H new ATOM 743 N GLU A 55 9.449 1.409 -12.197 1.00 0.24 N ATOM 744 CA GLU A 55 10.331 2.043 -13.160 1.00 0.28 C ATOM 745 C GLU A 55 11.359 2.900 -12.455 1.00 0.29 C ATOM 746 O GLU A 55 12.516 2.941 -12.860 1.00 0.35 O ATOM 747 CB GLU A 55 9.537 2.845 -14.185 1.00 0.35 C ATOM 748 CG GLU A 55 8.681 3.957 -13.613 1.00 0.40 C ATOM 749 CD GLU A 55 7.745 4.531 -14.655 1.00 0.88 C ATOM 750 OE1 GLU A 55 8.238 5.006 -15.703 1.00 1.63 O ATOM 751 OE2 GLU A 55 6.513 4.494 -14.451 1.00 1.38 O ATOM 0 H GLU A 55 8.485 1.741 -12.213 1.00 0.24 H new ATOM 0 HA GLU A 55 10.865 1.263 -13.703 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.234 3.278 -14.903 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.893 2.161 -14.738 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.101 3.575 -12.773 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.323 4.748 -13.224 1.00 0.40 H new ATOM 758 N ILE A 56 10.953 3.559 -11.379 1.00 0.27 N ATOM 759 CA ILE A 56 11.902 4.299 -10.559 1.00 0.30 C ATOM 760 C ILE A 56 12.811 3.317 -9.811 1.00 0.27 C ATOM 761 O ILE A 56 13.971 3.611 -9.527 1.00 0.30 O ATOM 762 CB ILE A 56 11.173 5.228 -9.567 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.168 6.094 -10.329 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.173 6.110 -8.830 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.192 6.825 -9.437 1.00 0.61 C ATOM 0 H ILE A 56 9.986 3.597 -11.056 1.00 0.27 H new ATOM 0 HA ILE A 56 12.511 4.926 -11.210 1.00 0.30 H new ATOM 0 HB ILE A 56 10.645 4.621 -8.832 1.00 0.34 H new ATOM 0 HG12 ILE A 56 10.713 6.823 -10.930 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.611 5.463 -11.021 1.00 0.42 H new ATOM 0 HG21 ILE A 56 11.642 6.759 -8.134 1.00 0.36 H new ATOM 0 HG22 ILE A 56 12.874 5.483 -8.279 1.00 0.36 H new ATOM 0 HG23 ILE A 56 12.720 6.719 -9.549 1.00 0.36 H new ATOM 0 HD11 ILE A 56 8.512 7.417 -10.050 1.00 0.61 H new ATOM 0 HD12 ILE A 56 8.620 6.103 -8.855 1.00 0.61 H new ATOM 0 HD13 ILE A 56 9.739 7.483 -8.762 1.00 0.61 H new ATOM 777 N PHE A 57 12.272 2.129 -9.548 1.00 0.24 N ATOM 778 CA PHE A 57 13.002 1.052 -8.886 1.00 0.22 C ATOM 779 C PHE A 57 14.217 0.619 -9.710 1.00 0.24 C ATOM 780 O PHE A 57 15.343 0.619 -9.212 1.00 0.32 O ATOM 781 CB PHE A 57 12.041 -0.122 -8.648 1.00 0.20 C ATOM 782 CG PHE A 57 12.677 -1.396 -8.176 1.00 0.19 C ATOM 783 CD1 PHE A 57 13.153 -1.518 -6.884 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.775 -2.482 -9.030 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.720 -2.702 -6.456 1.00 0.83 C ATOM 786 CE2 PHE A 57 13.339 -3.666 -8.606 1.00 0.88 C ATOM 787 CZ PHE A 57 13.813 -3.776 -7.319 1.00 0.28 C ATOM 0 H PHE A 57 11.311 1.886 -9.790 1.00 0.24 H new ATOM 0 HA PHE A 57 13.382 1.406 -7.928 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.296 0.185 -7.914 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.508 -0.326 -9.577 1.00 0.20 H new ATOM 0 HD1 PHE A 57 13.081 -0.682 -6.205 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.405 -2.400 -10.041 1.00 0.85 H new ATOM 0 HE1 PHE A 57 14.091 -2.788 -5.445 1.00 0.83 H new ATOM 0 HE2 PHE A 57 13.409 -4.505 -9.282 1.00 0.88 H new ATOM 0 HZ PHE A 57 14.257 -4.702 -6.984 1.00 0.28 H new ATOM 797 N TYR A 58 13.989 0.274 -10.974 1.00 0.26 N ATOM 798 CA TYR A 58 15.086 -0.112 -11.863 1.00 0.29 C ATOM 799 C TYR A 58 15.972 1.085 -12.179 1.00 0.33 C ATOM 800 O TYR A 58 17.146 0.936 -12.518 1.00 0.37 O ATOM 801 CB TYR A 58 14.549 -0.728 -13.155 1.00 0.33 C ATOM 802 CG TYR A 58 14.043 -2.141 -12.985 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.828 -2.393 -12.374 1.00 0.88 C ATOM 804 CD2 TYR A 58 14.785 -3.224 -13.441 1.00 1.00 C ATOM 805 CE1 TYR A 58 12.363 -3.681 -12.212 1.00 0.92 C ATOM 806 CE2 TYR A 58 14.328 -4.519 -13.286 1.00 1.03 C ATOM 807 CZ TYR A 58 13.115 -4.742 -12.668 1.00 0.50 C ATOM 808 OH TYR A 58 12.642 -6.028 -12.513 1.00 0.61 O ATOM 0 H TYR A 58 13.065 0.253 -11.405 1.00 0.26 H new ATOM 0 HA TYR A 58 15.687 -0.861 -11.347 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.740 -0.105 -13.536 1.00 0.33 H new ATOM 0 HB3 TYR A 58 15.338 -0.721 -13.907 1.00 0.33 H new ATOM 0 HD1 TYR A 58 12.232 -1.566 -12.017 1.00 0.88 H new ATOM 0 HD2 TYR A 58 15.735 -3.051 -13.925 1.00 1.00 H new ATOM 0 HE1 TYR A 58 11.413 -3.858 -11.730 1.00 0.92 H new ATOM 0 HE2 TYR A 58 14.916 -5.350 -13.646 1.00 1.03 H new ATOM 0 HH TYR A 58 13.289 -6.662 -12.888 1.00 0.61 H new ATOM 818 N THR A 59 15.407 2.271 -12.032 1.00 0.33 N ATOM 819 CA THR A 59 16.133 3.508 -12.253 1.00 0.38 C ATOM 820 C THR A 59 17.130 3.767 -11.116 1.00 0.38 C ATOM 821 O THR A 59 18.162 4.405 -11.321 1.00 0.44 O ATOM 822 CB THR A 59 15.141 4.679 -12.415 1.00 0.40 C ATOM 823 OG1 THR A 59 14.385 4.483 -13.618 1.00 0.44 O ATOM 824 CG2 THR A 59 15.837 6.024 -12.486 1.00 0.44 C ATOM 0 H THR A 59 14.434 2.403 -11.757 1.00 0.33 H new ATOM 0 HA THR A 59 16.709 3.420 -13.174 1.00 0.38 H new ATOM 0 HB THR A 59 14.495 4.688 -11.537 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.483 4.174 -13.391 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.093 6.813 -12.600 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.404 6.189 -11.570 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.515 6.038 -13.340 1.00 0.44 H new ATOM 832 N LEU A 60 16.846 3.217 -9.935 1.00 0.33 N ATOM 833 CA LEU A 60 17.753 3.345 -8.794 1.00 0.35 C ATOM 834 C LEU A 60 18.801 2.235 -8.787 1.00 0.36 C ATOM 835 O LEU A 60 19.654 2.193 -7.903 1.00 0.45 O ATOM 836 CB LEU A 60 16.986 3.329 -7.468 1.00 0.35 C ATOM 837 CG LEU A 60 16.141 4.567 -7.185 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.622 4.517 -5.761 1.00 0.79 C ATOM 839 CD2 LEU A 60 16.940 5.843 -7.426 1.00 0.76 C ATOM 0 H LEU A 60 15.999 2.681 -9.744 1.00 0.33 H new ATOM 0 HA LEU A 60 18.258 4.305 -8.899 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.335 2.455 -7.455 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.702 3.205 -6.655 1.00 0.35 H new ATOM 0 HG LEU A 60 15.294 4.576 -7.871 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.019 5.403 -5.562 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.011 3.624 -5.628 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.463 4.488 -5.068 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.313 6.710 -7.217 1.00 0.76 H new ATOM 0 HD22 LEU A 60 17.810 5.857 -6.769 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.269 5.876 -8.465 1.00 0.76 H new ATOM 851 N SER A 61 18.730 1.353 -9.785 1.00 0.33 N ATOM 852 CA SER A 61 19.665 0.232 -9.926 1.00 0.36 C ATOM 853 C SER A 61 19.473 -0.785 -8.798 1.00 0.33 C ATOM 854 O SER A 61 20.111 -0.702 -7.744 1.00 0.37 O ATOM 855 CB SER A 61 21.120 0.727 -9.978 1.00 0.45 C ATOM 856 OG SER A 61 22.012 -0.310 -10.365 1.00 0.64 O ATOM 0 H SER A 61 18.023 1.394 -10.519 1.00 0.33 H new ATOM 0 HA SER A 61 19.448 -0.267 -10.871 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.198 1.556 -10.681 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.410 1.111 -9.000 1.00 0.45 H new ATOM 0 HG SER A 61 22.928 0.038 -10.390 1.00 0.64 H new ATOM 862 N PRO A 62 18.555 -1.744 -8.999 1.00 0.29 N ATOM 863 CA PRO A 62 18.282 -2.791 -8.018 1.00 0.31 C ATOM 864 C PRO A 62 19.295 -3.933 -8.079 1.00 0.32 C ATOM 865 O PRO A 62 19.969 -4.126 -9.091 1.00 0.46 O ATOM 866 CB PRO A 62 16.900 -3.287 -8.426 1.00 0.37 C ATOM 867 CG PRO A 62 16.828 -3.063 -9.898 1.00 0.36 C ATOM 868 CD PRO A 62 17.705 -1.874 -10.197 1.00 0.29 C ATOM 0 HA PRO A 62 18.341 -2.419 -6.995 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.771 -4.341 -8.181 1.00 0.37 H new ATOM 0 HB3 PRO A 62 16.115 -2.740 -7.905 1.00 0.37 H new ATOM 0 HG2 PRO A 62 17.171 -3.944 -10.441 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.801 -2.875 -10.211 1.00 0.36 H new ATOM 0 HD2 PRO A 62 18.303 -2.035 -11.094 1.00 0.29 H new ATOM 0 HD3 PRO A 62 17.113 -0.974 -10.365 1.00 0.29 H new ATOM 876 N VAL A 63 19.390 -4.686 -6.993 1.00 0.33 N ATOM 877 CA VAL A 63 20.289 -5.821 -6.909 1.00 0.42 C ATOM 878 C VAL A 63 19.526 -7.049 -6.429 1.00 0.44 C ATOM 879 O VAL A 63 18.914 -7.024 -5.362 1.00 0.45 O ATOM 880 CB VAL A 63 21.467 -5.544 -5.943 1.00 0.58 C ATOM 881 CG1 VAL A 63 22.380 -6.758 -5.841 1.00 1.33 C ATOM 882 CG2 VAL A 63 22.256 -4.314 -6.377 1.00 1.28 C ATOM 0 H VAL A 63 18.845 -4.525 -6.146 1.00 0.33 H new ATOM 0 HA VAL A 63 20.696 -5.997 -7.905 1.00 0.42 H new ATOM 0 HB VAL A 63 21.049 -5.345 -4.956 1.00 0.58 H new ATOM 0 HG11 VAL A 63 23.200 -6.540 -5.157 1.00 1.33 H new ATOM 0 HG12 VAL A 63 21.812 -7.610 -5.467 1.00 1.33 H new ATOM 0 HG13 VAL A 63 22.782 -6.995 -6.826 1.00 1.33 H new ATOM 0 HG21 VAL A 63 23.077 -4.144 -5.680 1.00 1.28 H new ATOM 0 HG22 VAL A 63 22.657 -4.473 -7.378 1.00 1.28 H new ATOM 0 HG23 VAL A 63 21.599 -3.444 -6.383 1.00 1.28 H new ATOM 892 N ASN A 64 19.535 -8.099 -7.244 1.00 0.54 N ATOM 893 CA ASN A 64 18.945 -9.389 -6.877 1.00 0.63 C ATOM 894 C ASN A 64 17.428 -9.307 -6.728 1.00 0.55 C ATOM 895 O ASN A 64 16.822 -10.136 -6.046 1.00 0.60 O ATOM 896 CB ASN A 64 19.557 -9.905 -5.574 1.00 0.71 C ATOM 897 CG ASN A 64 21.043 -10.166 -5.687 1.00 1.08 C ATOM 898 OD1 ASN A 64 21.537 -10.618 -6.720 1.00 1.42 O ATOM 899 ND2 ASN A 64 21.769 -9.845 -4.636 1.00 1.67 N ATOM 0 H ASN A 64 19.949 -8.084 -8.176 1.00 0.54 H new ATOM 0 HA ASN A 64 19.167 -10.082 -7.689 1.00 0.63 H new ATOM 0 HB2 ASN A 64 19.380 -9.178 -4.782 1.00 0.71 H new ATOM 0 HB3 ASN A 64 19.052 -10.825 -5.280 1.00 0.71 H new ATOM 0 HD21 ASN A 64 22.781 -9.968 -4.659 1.00 1.67 H new ATOM 0 HD22 ASN A 64 21.319 -9.473 -3.800 1.00 1.67 H new ATOM 906 N GLY A 65 16.814 -8.323 -7.367 1.00 0.49 N ATOM 907 CA GLY A 65 15.370 -8.228 -7.372 1.00 0.50 C ATOM 908 C GLY A 65 14.856 -7.326 -6.276 1.00 0.39 C ATOM 909 O GLY A 65 13.715 -7.455 -5.837 1.00 0.49 O ATOM 0 H GLY A 65 17.293 -7.586 -7.884 1.00 0.49 H new ATOM 0 HA2 GLY A 65 15.035 -7.850 -8.338 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.941 -9.223 -7.253 1.00 0.50 H new ATOM 913 N LYS A 66 15.711 -6.426 -5.815 1.00 0.33 N ATOM 914 CA LYS A 66 15.323 -5.436 -4.829 1.00 0.26 C ATOM 915 C LYS A 66 16.400 -4.368 -4.728 1.00 0.21 C ATOM 916 O LYS A 66 17.540 -4.596 -5.121 1.00 0.27 O ATOM 917 CB LYS A 66 15.114 -6.070 -3.456 1.00 0.30 C ATOM 918 CG LYS A 66 16.390 -6.524 -2.771 1.00 0.75 C ATOM 919 CD LYS A 66 16.779 -7.930 -3.163 1.00 0.61 C ATOM 920 CE LYS A 66 16.040 -8.964 -2.336 1.00 1.21 C ATOM 921 NZ LYS A 66 14.621 -9.142 -2.753 1.00 1.82 N ATOM 0 H LYS A 66 16.685 -6.363 -6.112 1.00 0.33 H new ATOM 0 HA LYS A 66 14.381 -4.992 -5.150 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.607 -5.352 -2.812 1.00 0.30 H new ATOM 0 HB3 LYS A 66 14.449 -6.927 -3.563 1.00 0.30 H new ATOM 0 HG2 LYS A 66 17.200 -5.840 -3.026 1.00 0.75 H new ATOM 0 HG3 LYS A 66 16.258 -6.473 -1.690 1.00 0.75 H new ATOM 0 HD2 LYS A 66 16.563 -8.087 -4.220 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.853 -8.060 -3.034 1.00 0.61 H new ATOM 0 HE2 LYS A 66 16.558 -9.920 -2.414 1.00 1.21 H new ATOM 0 HE3 LYS A 66 16.070 -8.670 -1.287 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 14.312 -10.110 -2.529 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 14.022 -8.461 -2.245 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 14.537 -8.980 -3.777 1.00 1.82 H new ATOM 935 N ILE A 67 16.055 -3.210 -4.211 1.00 0.18 N ATOM 936 CA ILE A 67 17.061 -2.202 -3.950 1.00 0.20 C ATOM 937 C ILE A 67 17.618 -2.365 -2.557 1.00 0.19 C ATOM 938 O ILE A 67 16.865 -2.538 -1.597 1.00 0.21 O ATOM 939 CB ILE A 67 16.526 -0.766 -4.121 1.00 0.25 C ATOM 940 CG1 ILE A 67 15.100 -0.645 -3.574 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.586 -0.358 -5.584 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.432 0.679 -3.878 1.00 0.35 C ATOM 0 H ILE A 67 15.101 -2.944 -3.966 1.00 0.18 H new ATOM 0 HA ILE A 67 17.848 -2.351 -4.689 1.00 0.20 H new ATOM 0 HB ILE A 67 17.158 -0.088 -3.547 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.493 -1.450 -3.989 1.00 0.29 H new ATOM 0 HG13 ILE A 67 15.123 -0.789 -2.494 1.00 0.29 H new ATOM 0 HG21 ILE A 67 16.206 0.658 -5.694 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.618 -0.399 -5.931 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.977 -1.040 -6.177 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.427 0.684 -3.457 1.00 0.35 H new ATOM 0 HD12 ILE A 67 15.014 1.489 -3.439 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.374 0.818 -4.958 1.00 0.35 H new ATOM 954 N THR A 68 18.938 -2.338 -2.452 1.00 0.24 N ATOM 955 CA THR A 68 19.576 -2.289 -1.161 1.00 0.30 C ATOM 956 C THR A 68 19.095 -1.037 -0.457 1.00 0.36 C ATOM 957 O THR A 68 19.084 0.043 -1.047 1.00 0.70 O ATOM 958 CB THR A 68 21.113 -2.294 -1.287 1.00 0.44 C ATOM 959 OG1 THR A 68 21.516 -1.569 -2.458 1.00 0.65 O ATOM 960 CG2 THR A 68 21.641 -3.716 -1.359 1.00 0.55 C ATOM 0 H THR A 68 19.579 -2.349 -3.245 1.00 0.24 H new ATOM 0 HA THR A 68 19.311 -3.175 -0.585 1.00 0.30 H new ATOM 0 HB THR A 68 21.529 -1.810 -0.403 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.494 -1.577 -2.527 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.727 -3.697 -1.448 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.360 -4.255 -0.454 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.215 -4.219 -2.227 1.00 0.55 H new ATOM 968 N GLY A 69 18.659 -1.191 0.784 1.00 0.29 N ATOM 969 CA GLY A 69 17.909 -0.148 1.447 1.00 0.31 C ATOM 970 C GLY A 69 18.584 1.208 1.457 1.00 0.31 C ATOM 971 O GLY A 69 17.906 2.218 1.534 1.00 0.38 O ATOM 0 H GLY A 69 18.814 -2.028 1.347 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.938 -0.052 0.961 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.721 -0.453 2.476 1.00 0.31 H new ATOM 975 N ALA A 70 19.905 1.233 1.382 1.00 0.33 N ATOM 976 CA ALA A 70 20.651 2.491 1.263 1.00 0.37 C ATOM 977 C ALA A 70 20.089 3.372 0.140 1.00 0.35 C ATOM 978 O ALA A 70 19.976 4.590 0.288 1.00 0.39 O ATOM 979 CB ALA A 70 22.123 2.204 1.017 1.00 0.44 C ATOM 0 H ALA A 70 20.491 0.398 1.401 1.00 0.33 H new ATOM 0 HA ALA A 70 20.543 3.035 2.201 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.667 3.144 0.930 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.525 1.627 1.850 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.233 1.634 0.094 1.00 0.44 H new ATOM 985 N ASN A 71 19.713 2.740 -0.969 1.00 0.35 N ATOM 986 CA ASN A 71 19.206 3.457 -2.143 1.00 0.37 C ATOM 987 C ASN A 71 17.759 3.858 -1.924 1.00 0.34 C ATOM 988 O ASN A 71 17.305 4.891 -2.414 1.00 0.34 O ATOM 989 CB ASN A 71 19.281 2.590 -3.400 1.00 0.47 C ATOM 990 CG ASN A 71 20.431 1.609 -3.380 1.00 1.01 C ATOM 991 OD1 ASN A 71 21.518 1.904 -2.885 1.00 2.11 O ATOM 992 ND2 ASN A 71 20.182 0.423 -3.896 1.00 1.00 N ATOM 0 H ASN A 71 19.749 1.727 -1.082 1.00 0.35 H new ATOM 0 HA ASN A 71 19.829 4.341 -2.280 1.00 0.37 H new ATOM 0 HB2 ASN A 71 18.346 2.041 -3.511 1.00 0.47 H new ATOM 0 HB3 ASN A 71 19.378 3.235 -4.273 1.00 0.47 H new ATOM 0 HD21 ASN A 71 20.906 -0.296 -3.896 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.265 0.223 -4.296 1.00 1.00 H new ATOM 999 N ALA A 72 17.043 3.035 -1.175 1.00 0.35 N ATOM 1000 CA ALA A 72 15.644 3.287 -0.890 1.00 0.35 C ATOM 1001 C ALA A 72 15.522 4.414 0.117 1.00 0.31 C ATOM 1002 O ALA A 72 14.611 5.237 0.037 1.00 0.30 O ATOM 1003 CB ALA A 72 14.986 2.027 -0.377 1.00 0.42 C ATOM 0 H ALA A 72 17.412 2.183 -0.753 1.00 0.35 H new ATOM 0 HA ALA A 72 15.134 3.587 -1.806 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.935 2.225 -0.165 1.00 0.42 H new ATOM 0 HB2 ALA A 72 15.063 1.244 -1.131 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.485 1.702 0.536 1.00 0.42 H new ATOM 1009 N LYS A 73 16.461 4.448 1.052 1.00 0.31 N ATOM 1010 CA LYS A 73 16.552 5.540 2.005 1.00 0.31 C ATOM 1011 C LYS A 73 16.917 6.805 1.260 1.00 0.29 C ATOM 1012 O LYS A 73 16.413 7.872 1.562 1.00 0.30 O ATOM 1013 CB LYS A 73 17.598 5.247 3.091 1.00 0.37 C ATOM 1014 CG LYS A 73 17.324 3.980 3.884 1.00 0.39 C ATOM 1015 CD LYS A 73 15.946 4.009 4.522 1.00 0.44 C ATOM 1016 CE LYS A 73 15.835 5.075 5.602 1.00 0.85 C ATOM 1017 NZ LYS A 73 16.764 4.826 6.736 1.00 1.69 N ATOM 0 H LYS A 73 17.173 3.727 1.169 1.00 0.31 H new ATOM 0 HA LYS A 73 15.588 5.659 2.500 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.580 5.166 2.624 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.640 6.092 3.778 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.404 3.114 3.227 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.082 3.863 4.658 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.195 4.193 3.753 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.727 3.032 4.954 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.048 6.052 5.168 1.00 0.85 H new ATOM 0 HE3 LYS A 73 14.811 5.107 5.974 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 16.516 5.449 7.531 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 16.686 3.834 7.037 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 17.740 5.021 6.434 1.00 1.69 H new ATOM 1031 N LYS A 74 17.784 6.654 0.268 1.00 0.31 N ATOM 1032 CA LYS A 74 18.176 7.750 -0.608 1.00 0.34 C ATOM 1033 C LYS A 74 16.944 8.363 -1.272 1.00 0.31 C ATOM 1034 O LYS A 74 16.795 9.580 -1.347 1.00 0.33 O ATOM 1035 CB LYS A 74 19.129 7.219 -1.678 1.00 0.44 C ATOM 1036 CG LYS A 74 19.991 8.283 -2.313 1.00 0.83 C ATOM 1037 CD LYS A 74 20.924 8.903 -1.292 1.00 1.02 C ATOM 1038 CE LYS A 74 21.850 7.857 -0.675 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.722 7.209 -1.694 1.00 1.35 N ATOM 0 H LYS A 74 18.236 5.767 0.048 1.00 0.31 H new ATOM 0 HA LYS A 74 18.674 8.521 -0.020 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.774 6.461 -1.233 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.547 6.725 -2.456 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.572 7.848 -3.126 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.359 9.056 -2.751 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.519 9.683 -1.767 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.339 9.382 -0.507 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.472 8.328 0.087 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.253 7.096 -0.173 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.435 6.621 -1.217 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 22.142 6.612 -2.318 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 23.198 7.941 -2.259 1.00 1.35 H new ATOM 1053 N GLU A 75 16.082 7.483 -1.747 1.00 0.34 N ATOM 1054 CA GLU A 75 14.836 7.858 -2.413 1.00 0.38 C ATOM 1055 C GLU A 75 13.916 8.639 -1.467 1.00 0.34 C ATOM 1056 O GLU A 75 13.491 9.760 -1.767 1.00 0.38 O ATOM 1057 CB GLU A 75 14.155 6.572 -2.911 1.00 0.47 C ATOM 1058 CG GLU A 75 13.334 6.726 -4.180 1.00 0.62 C ATOM 1059 CD GLU A 75 13.856 7.827 -5.083 1.00 0.96 C ATOM 1060 OE1 GLU A 75 14.998 7.716 -5.565 1.00 1.36 O ATOM 1061 OE2 GLU A 75 13.109 8.798 -5.338 1.00 1.48 O ATOM 0 H GLU A 75 16.224 6.475 -1.683 1.00 0.34 H new ATOM 0 HA GLU A 75 15.050 8.515 -3.256 1.00 0.38 H new ATOM 0 HB2 GLU A 75 14.922 5.817 -3.083 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.506 6.194 -2.121 1.00 0.47 H new ATOM 0 HG2 GLU A 75 13.335 5.782 -4.726 1.00 0.62 H new ATOM 0 HG3 GLU A 75 12.299 6.939 -3.915 1.00 0.62 H new ATOM 1068 N MET A 76 13.649 8.076 -0.301 1.00 0.31 N ATOM 1069 CA MET A 76 12.791 8.741 0.671 1.00 0.32 C ATOM 1070 C MET A 76 13.507 9.929 1.328 1.00 0.31 C ATOM 1071 O MET A 76 12.872 10.788 1.929 1.00 0.36 O ATOM 1072 CB MET A 76 12.285 7.738 1.715 1.00 0.33 C ATOM 1073 CG MET A 76 13.354 6.787 2.215 1.00 0.50 C ATOM 1074 SD MET A 76 12.778 5.671 3.510 1.00 0.65 S ATOM 1075 CE MET A 76 11.664 4.620 2.582 1.00 0.46 C ATOM 0 H MET A 76 14.009 7.169 -0.004 1.00 0.31 H new ATOM 0 HA MET A 76 11.925 9.142 0.144 1.00 0.32 H new ATOM 0 HB2 MET A 76 11.873 8.286 2.563 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.469 7.159 1.283 1.00 0.33 H new ATOM 0 HG2 MET A 76 13.725 6.197 1.377 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.196 7.366 2.594 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.309 3.812 3.221 1.00 0.46 H new ATOM 0 HE2 MET A 76 10.814 5.208 2.235 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.190 4.200 1.724 1.00 0.46 H new ATOM 1085 N VAL A 77 14.829 9.973 1.205 1.00 0.30 N ATOM 1086 CA VAL A 77 15.612 11.130 1.656 1.00 0.34 C ATOM 1087 C VAL A 77 15.440 12.308 0.700 1.00 0.37 C ATOM 1088 O VAL A 77 15.143 13.424 1.128 1.00 0.41 O ATOM 1089 CB VAL A 77 17.123 10.797 1.798 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.002 12.026 1.576 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.406 10.200 3.166 1.00 0.42 C ATOM 0 H VAL A 77 15.386 9.223 0.797 1.00 0.30 H new ATOM 0 HA VAL A 77 15.230 11.400 2.641 1.00 0.34 H new ATOM 0 HB VAL A 77 17.368 10.068 1.025 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.050 11.748 1.685 1.00 0.59 H new ATOM 0 HG12 VAL A 77 17.833 12.418 0.573 1.00 0.59 H new ATOM 0 HG13 VAL A 77 17.751 12.790 2.312 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.468 9.972 3.251 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.125 10.914 3.940 1.00 0.42 H new ATOM 0 HG23 VAL A 77 16.827 9.285 3.290 1.00 0.42 H new ATOM 1101 N LYS A 78 15.610 12.049 -0.597 1.00 0.39 N ATOM 1102 CA LYS A 78 15.482 13.094 -1.606 1.00 0.45 C ATOM 1103 C LYS A 78 14.029 13.548 -1.700 1.00 0.48 C ATOM 1104 O LYS A 78 13.717 14.549 -2.342 1.00 0.59 O ATOM 1105 CB LYS A 78 15.963 12.595 -2.963 1.00 0.54 C ATOM 1106 CG LYS A 78 15.103 11.483 -3.517 1.00 0.76 C ATOM 1107 CD LYS A 78 15.602 10.984 -4.851 1.00 0.84 C ATOM 1108 CE LYS A 78 16.948 10.288 -4.734 1.00 1.08 C ATOM 1109 NZ LYS A 78 17.140 9.291 -5.820 1.00 1.20 N ATOM 0 H LYS A 78 15.836 11.127 -0.970 1.00 0.39 H new ATOM 0 HA LYS A 78 16.104 13.939 -1.311 1.00 0.45 H new ATOM 0 HB2 LYS A 78 15.973 13.426 -3.668 1.00 0.54 H new ATOM 0 HB3 LYS A 78 16.990 12.242 -2.872 1.00 0.54 H new ATOM 0 HG2 LYS A 78 15.081 10.656 -2.807 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.078 11.838 -3.625 1.00 0.76 H new ATOM 0 HD2 LYS A 78 14.873 10.293 -5.275 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.687 11.822 -5.543 1.00 0.84 H new ATOM 0 HE2 LYS A 78 17.747 11.029 -4.773 1.00 1.08 H new ATOM 0 HE3 LYS A 78 17.020 9.792 -3.766 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 18.148 9.046 -5.892 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 16.590 8.435 -5.606 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.816 9.694 -6.722 1.00 1.20 H new ATOM 1123 N SER A 79 13.150 12.772 -1.074 1.00 0.44 N ATOM 1124 CA SER A 79 11.757 13.158 -0.879 1.00 0.51 C ATOM 1125 C SER A 79 11.622 14.349 0.094 1.00 0.55 C ATOM 1126 O SER A 79 10.508 14.738 0.446 1.00 0.64 O ATOM 1127 CB SER A 79 10.973 11.958 -0.357 1.00 0.53 C ATOM 1128 OG SER A 79 11.004 10.886 -1.287 1.00 1.37 O ATOM 0 H SER A 79 13.384 11.857 -0.687 1.00 0.44 H new ATOM 0 HA SER A 79 11.352 13.478 -1.839 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.393 11.631 0.594 1.00 0.53 H new ATOM 0 HB3 SER A 79 9.940 12.249 -0.166 1.00 0.53 H new ATOM 0 HG SER A 79 11.930 10.595 -1.421 1.00 1.37 H new ATOM 1134 N LYS A 80 12.765 14.892 0.538 1.00 0.54 N ATOM 1135 CA LYS A 80 12.816 16.136 1.327 1.00 0.61 C ATOM 1136 C LYS A 80 12.352 15.912 2.764 1.00 0.62 C ATOM 1137 O LYS A 80 11.721 16.787 3.366 1.00 0.75 O ATOM 1138 CB LYS A 80 11.975 17.245 0.677 1.00 0.70 C ATOM 1139 CG LYS A 80 12.436 17.641 -0.713 1.00 1.01 C ATOM 1140 CD LYS A 80 11.530 18.702 -1.305 1.00 1.31 C ATOM 1141 CE LYS A 80 11.963 19.100 -2.703 1.00 1.94 C ATOM 1142 NZ LYS A 80 11.104 20.184 -3.244 1.00 2.65 N ATOM 0 H LYS A 80 13.682 14.482 0.361 1.00 0.54 H new ATOM 0 HA LYS A 80 13.859 16.452 1.347 1.00 0.61 H new ATOM 0 HB2 LYS A 80 10.938 16.915 0.623 1.00 0.70 H new ATOM 0 HB3 LYS A 80 11.996 18.125 1.319 1.00 0.70 H new ATOM 0 HG2 LYS A 80 13.459 18.015 -0.668 1.00 1.01 H new ATOM 0 HG3 LYS A 80 12.446 16.764 -1.360 1.00 1.01 H new ATOM 0 HD2 LYS A 80 10.506 18.330 -1.334 1.00 1.31 H new ATOM 0 HD3 LYS A 80 11.531 19.581 -0.661 1.00 1.31 H new ATOM 0 HE2 LYS A 80 13.001 19.431 -2.684 1.00 1.94 H new ATOM 0 HE3 LYS A 80 11.916 18.233 -3.362 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 11.424 20.435 -4.201 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 10.117 19.858 -3.283 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 11.169 21.019 -2.627 1.00 2.65 H new ATOM 1156 N LEU A 81 12.705 14.772 3.336 1.00 0.66 N ATOM 1157 CA LEU A 81 12.230 14.428 4.666 1.00 0.69 C ATOM 1158 C LEU A 81 13.368 14.392 5.673 1.00 0.73 C ATOM 1159 O LEU A 81 14.532 14.249 5.303 1.00 0.75 O ATOM 1160 CB LEU A 81 11.559 13.063 4.652 1.00 0.70 C ATOM 1161 CG LEU A 81 10.559 12.841 3.516 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.065 11.405 3.504 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.391 13.804 3.636 1.00 1.08 C ATOM 0 H LEU A 81 13.313 14.075 2.905 1.00 0.66 H new ATOM 0 HA LEU A 81 11.517 15.198 4.960 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.332 12.297 4.590 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.044 12.919 5.602 1.00 0.70 H new ATOM 0 HG LEU A 81 11.070 13.034 2.573 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.355 11.271 2.688 1.00 1.16 H new ATOM 0 HD12 LEU A 81 10.910 10.731 3.364 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.575 11.181 4.451 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.691 13.630 2.819 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.885 13.645 4.588 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.758 14.829 3.587 1.00 1.08 H new ATOM 1175 N PRO A 82 13.036 14.551 6.957 1.00 0.78 N ATOM 1176 CA PRO A 82 13.971 14.325 8.049 1.00 0.84 C ATOM 1177 C PRO A 82 14.033 12.846 8.430 1.00 0.75 C ATOM 1178 O PRO A 82 13.145 12.068 8.070 1.00 0.70 O ATOM 1179 CB PRO A 82 13.366 15.145 9.182 1.00 0.95 C ATOM 1180 CG PRO A 82 11.898 15.084 8.932 1.00 0.91 C ATOM 1181 CD PRO A 82 11.719 14.997 7.444 1.00 0.82 C ATOM 0 HA PRO A 82 14.994 14.606 7.801 1.00 0.84 H new ATOM 0 HB2 PRO A 82 13.622 14.728 10.156 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.730 16.172 9.169 1.00 0.95 H new ATOM 0 HG2 PRO A 82 11.457 14.219 9.426 1.00 0.91 H new ATOM 0 HG3 PRO A 82 11.400 15.968 9.331 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.933 14.291 7.176 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.440 15.961 7.018 1.00 0.82 H new ATOM 1189 N ASN A 83 15.065 12.471 9.174 1.00 0.79 N ATOM 1190 CA ASN A 83 15.282 11.073 9.564 1.00 0.72 C ATOM 1191 C ASN A 83 14.067 10.473 10.268 1.00 0.65 C ATOM 1192 O ASN A 83 13.841 9.269 10.189 1.00 0.61 O ATOM 1193 CB ASN A 83 16.511 10.931 10.467 1.00 0.82 C ATOM 1194 CG ASN A 83 17.826 11.037 9.714 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.826 11.499 10.263 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.844 10.606 8.459 1.00 1.16 N ATOM 0 H ASN A 83 15.773 13.116 9.525 1.00 0.79 H new ATOM 0 HA ASN A 83 15.448 10.522 8.638 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.478 11.702 11.237 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.469 9.969 10.977 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.707 10.652 7.916 1.00 1.16 H new ATOM 0 HD22 ASN A 83 16.995 10.229 8.037 1.00 1.16 H new ATOM 1203 N THR A 84 13.297 11.306 10.955 1.00 0.67 N ATOM 1204 CA THR A 84 12.083 10.853 11.622 1.00 0.67 C ATOM 1205 C THR A 84 11.097 10.258 10.611 1.00 0.58 C ATOM 1206 O THR A 84 10.644 9.115 10.751 1.00 0.53 O ATOM 1207 CB THR A 84 11.407 12.024 12.354 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.406 12.830 12.991 1.00 1.11 O ATOM 1209 CG2 THR A 84 10.414 11.523 13.393 1.00 1.24 C ATOM 0 H THR A 84 13.492 12.301 11.065 1.00 0.67 H new ATOM 0 HA THR A 84 12.364 10.085 12.342 1.00 0.67 H new ATOM 0 HB THR A 84 10.862 12.619 11.621 1.00 0.77 H new ATOM 0 HG1 THR A 84 11.976 13.577 13.456 1.00 1.11 H new ATOM 0 HG21 THR A 84 9.952 12.373 13.894 1.00 1.24 H new ATOM 0 HG22 THR A 84 9.643 10.928 12.903 1.00 1.24 H new ATOM 0 HG23 THR A 84 10.935 10.908 14.127 1.00 1.24 H new ATOM 1217 N VAL A 85 10.785 11.041 9.582 1.00 0.59 N ATOM 1218 CA VAL A 85 9.882 10.603 8.526 1.00 0.55 C ATOM 1219 C VAL A 85 10.516 9.461 7.741 1.00 0.49 C ATOM 1220 O VAL A 85 9.851 8.480 7.414 1.00 0.45 O ATOM 1221 CB VAL A 85 9.523 11.765 7.580 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.453 11.337 6.595 1.00 0.56 C ATOM 1223 CG2 VAL A 85 9.052 12.971 8.378 1.00 0.72 C ATOM 0 H VAL A 85 11.147 11.986 9.458 1.00 0.59 H new ATOM 0 HA VAL A 85 8.960 10.252 8.990 1.00 0.55 H new ATOM 0 HB VAL A 85 10.417 12.043 7.022 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.212 12.170 5.935 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.819 10.498 6.002 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.558 11.034 7.139 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.802 13.784 7.696 1.00 0.72 H new ATOM 0 HG22 VAL A 85 8.170 12.701 8.959 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.846 13.294 9.052 1.00 0.72 H new ATOM 1233 N LEU A 86 11.810 9.594 7.465 1.00 0.50 N ATOM 1234 CA LEU A 86 12.594 8.525 6.848 1.00 0.50 C ATOM 1235 C LEU A 86 12.383 7.206 7.580 1.00 0.40 C ATOM 1236 O LEU A 86 12.003 6.200 6.984 1.00 0.38 O ATOM 1237 CB LEU A 86 14.087 8.874 6.891 1.00 0.62 C ATOM 1238 CG LEU A 86 14.660 9.575 5.658 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.589 8.666 4.455 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.943 10.880 5.373 1.00 1.34 C ATOM 0 H LEU A 86 12.344 10.441 7.661 1.00 0.50 H new ATOM 0 HA LEU A 86 12.262 8.422 5.815 1.00 0.50 H new ATOM 0 HB2 LEU A 86 14.264 9.510 7.758 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.648 7.953 7.052 1.00 0.62 H new ATOM 0 HG LEU A 86 15.704 9.808 5.867 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.001 9.180 3.586 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.165 7.761 4.648 1.00 1.45 H new ATOM 0 HD13 LEU A 86 13.550 8.400 4.261 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.378 11.349 4.490 1.00 1.34 H new ATOM 0 HD22 LEU A 86 12.886 10.683 5.196 1.00 1.34 H new ATOM 0 HD23 LEU A 86 14.049 11.548 6.228 1.00 1.34 H new ATOM 1252 N GLY A 87 12.629 7.233 8.883 1.00 0.39 N ATOM 1253 CA GLY A 87 12.571 6.035 9.684 1.00 0.39 C ATOM 1254 C GLY A 87 11.195 5.408 9.725 1.00 0.33 C ATOM 1255 O GLY A 87 11.062 4.189 9.584 1.00 0.37 O ATOM 0 H GLY A 87 12.871 8.078 9.401 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.282 5.309 9.290 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.886 6.271 10.701 1.00 0.39 H new ATOM 1259 N LYS A 88 10.157 6.219 9.908 1.00 0.34 N ATOM 1260 CA LYS A 88 8.825 5.658 10.067 1.00 0.37 C ATOM 1261 C LYS A 88 8.208 5.284 8.725 1.00 0.34 C ATOM 1262 O LYS A 88 7.386 4.376 8.662 1.00 0.41 O ATOM 1263 CB LYS A 88 7.897 6.579 10.865 1.00 0.49 C ATOM 1264 CG LYS A 88 7.471 7.851 10.155 1.00 0.65 C ATOM 1265 CD LYS A 88 6.299 8.492 10.883 1.00 0.98 C ATOM 1266 CE LYS A 88 5.877 9.813 10.256 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.657 10.358 10.905 1.00 1.66 N ATOM 0 H LYS A 88 10.210 7.237 9.949 1.00 0.34 H new ATOM 0 HA LYS A 88 8.942 4.742 10.646 1.00 0.37 H new ATOM 0 HB2 LYS A 88 7.003 6.018 11.136 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.396 6.852 11.795 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.307 8.549 10.111 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.190 7.625 9.126 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.453 7.805 10.879 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.570 8.658 11.926 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.690 10.534 10.343 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.691 9.669 9.192 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.697 11.397 10.902 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.815 10.042 10.382 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.604 10.017 11.886 1.00 1.66 H new ATOM 1281 N ILE A 89 8.604 5.960 7.651 1.00 0.30 N ATOM 1282 CA ILE A 89 8.163 5.561 6.321 1.00 0.31 C ATOM 1283 C ILE A 89 8.813 4.241 5.936 1.00 0.26 C ATOM 1284 O ILE A 89 8.156 3.343 5.396 1.00 0.28 O ATOM 1285 CB ILE A 89 8.462 6.642 5.261 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.484 7.806 5.419 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.395 6.073 3.848 1.00 0.56 C ATOM 1288 CD1 ILE A 89 7.618 8.857 4.341 1.00 1.15 C ATOM 0 H ILE A 89 9.219 6.773 7.674 1.00 0.30 H new ATOM 0 HA ILE A 89 7.081 5.436 6.353 1.00 0.31 H new ATOM 0 HB ILE A 89 9.478 7.003 5.419 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.465 7.418 5.412 1.00 0.71 H new ATOM 0 HG13 ILE A 89 7.641 8.272 6.392 1.00 0.71 H new ATOM 0 HG21 ILE A 89 8.611 6.862 3.127 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.129 5.274 3.742 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.397 5.675 3.663 1.00 0.56 H new ATOM 0 HD11 ILE A 89 6.894 9.652 4.516 1.00 1.15 H new ATOM 0 HD12 ILE A 89 8.625 9.273 4.361 1.00 1.15 H new ATOM 0 HD13 ILE A 89 7.432 8.405 3.367 1.00 1.15 H new ATOM 1300 N TRP A 90 10.097 4.114 6.257 1.00 0.24 N ATOM 1301 CA TRP A 90 10.822 2.874 6.035 1.00 0.22 C ATOM 1302 C TRP A 90 10.119 1.720 6.728 1.00 0.23 C ATOM 1303 O TRP A 90 9.697 0.767 6.087 1.00 0.25 O ATOM 1304 CB TRP A 90 12.251 2.978 6.567 1.00 0.22 C ATOM 1305 CG TRP A 90 13.042 1.721 6.365 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.346 0.772 7.302 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.606 1.264 5.138 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.077 -0.241 6.726 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.249 0.041 5.399 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.635 1.772 3.844 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.907 -0.677 4.411 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.287 1.059 2.867 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.919 -0.153 3.155 1.00 0.30 C ATOM 0 H TRP A 90 10.656 4.859 6.673 1.00 0.24 H new ATOM 0 HA TRP A 90 10.852 2.693 4.961 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.759 3.805 6.070 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.221 3.215 7.630 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.055 0.812 8.341 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.432 -1.066 7.209 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.154 2.710 3.611 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.392 -1.617 4.630 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.311 1.443 1.858 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.428 -0.685 2.365 1.00 0.30 H new ATOM 1324 N LYS A 91 9.968 1.840 8.039 1.00 0.26 N ATOM 1325 CA LYS A 91 9.453 0.745 8.845 1.00 0.30 C ATOM 1326 C LYS A 91 7.976 0.484 8.567 1.00 0.31 C ATOM 1327 O LYS A 91 7.453 -0.573 8.918 1.00 0.42 O ATOM 1328 CB LYS A 91 9.657 1.044 10.331 1.00 0.40 C ATOM 1329 CG LYS A 91 8.756 2.144 10.871 1.00 1.08 C ATOM 1330 CD LYS A 91 8.986 2.403 12.356 1.00 1.26 C ATOM 1331 CE LYS A 91 10.171 3.328 12.609 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.480 2.677 12.344 1.00 2.54 N ATOM 0 H LYS A 91 10.195 2.684 8.566 1.00 0.26 H new ATOM 0 HA LYS A 91 10.008 -0.153 8.574 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.482 0.132 10.902 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.697 1.327 10.495 1.00 0.40 H new ATOM 0 HG2 LYS A 91 8.933 3.063 10.312 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.714 1.869 10.709 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.087 2.842 12.789 1.00 1.26 H new ATOM 0 HD3 LYS A 91 9.154 1.454 12.866 1.00 1.26 H new ATOM 0 HE2 LYS A 91 10.076 4.212 11.978 1.00 2.03 H new ATOM 0 HE3 LYS A 91 10.144 3.670 13.644 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 12.173 2.990 13.053 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.371 1.644 12.399 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 11.813 2.940 11.395 1.00 2.54 H new ATOM 1346 N LEU A 92 7.305 1.449 7.954 1.00 0.27 N ATOM 1347 CA LEU A 92 5.891 1.301 7.645 1.00 0.33 C ATOM 1348 C LEU A 92 5.716 0.507 6.354 1.00 0.34 C ATOM 1349 O LEU A 92 4.800 -0.309 6.241 1.00 0.47 O ATOM 1350 CB LEU A 92 5.225 2.678 7.534 1.00 0.37 C ATOM 1351 CG LEU A 92 3.704 2.698 7.711 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.323 2.187 9.094 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.164 4.107 7.514 1.00 0.61 C ATOM 0 H LEU A 92 7.714 2.337 7.663 1.00 0.27 H new ATOM 0 HA LEU A 92 5.407 0.753 8.453 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.668 3.336 8.282 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.464 3.099 6.557 1.00 0.37 H new ATOM 0 HG LEU A 92 3.264 2.043 6.959 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.239 2.208 9.204 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.681 1.164 9.215 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.777 2.823 9.854 1.00 0.86 H new ATOM 0 HD21 LEU A 92 2.082 4.103 7.643 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.615 4.775 8.248 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.408 4.453 6.510 1.00 0.61 H new ATOM 1365 N ALA A 93 6.600 0.727 5.386 1.00 0.30 N ATOM 1366 CA ALA A 93 6.519 -0.003 4.131 1.00 0.37 C ATOM 1367 C ALA A 93 7.352 -1.291 4.174 1.00 0.37 C ATOM 1368 O ALA A 93 6.976 -2.302 3.574 1.00 0.45 O ATOM 1369 CB ALA A 93 6.944 0.888 2.974 1.00 0.43 C ATOM 0 H ALA A 93 7.369 1.395 5.446 1.00 0.30 H new ATOM 0 HA ALA A 93 5.481 -0.297 3.977 1.00 0.37 H new ATOM 0 HB1 ALA A 93 6.878 0.329 2.041 1.00 0.43 H new ATOM 0 HB2 ALA A 93 6.287 1.756 2.923 1.00 0.43 H new ATOM 0 HB3 ALA A 93 7.971 1.218 3.128 1.00 0.43 H new ATOM 1375 N ASP A 94 8.474 -1.262 4.891 1.00 0.32 N ATOM 1376 CA ASP A 94 9.324 -2.443 5.039 1.00 0.38 C ATOM 1377 C ASP A 94 8.797 -3.324 6.164 1.00 0.45 C ATOM 1378 O ASP A 94 9.267 -3.268 7.304 1.00 0.49 O ATOM 1379 CB ASP A 94 10.785 -2.027 5.289 1.00 0.35 C ATOM 1380 CG ASP A 94 11.764 -3.182 5.375 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.557 -4.202 4.687 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.776 -3.064 6.092 1.00 0.62 O ATOM 0 H ASP A 94 8.816 -0.434 5.379 1.00 0.32 H new ATOM 0 HA ASP A 94 9.299 -3.020 4.115 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.101 -1.359 4.488 1.00 0.35 H new ATOM 0 HB3 ASP A 94 10.833 -1.457 6.217 1.00 0.35 H new ATOM 1387 N VAL A 95 7.780 -4.114 5.828 1.00 0.64 N ATOM 1388 CA VAL A 95 7.110 -4.995 6.782 1.00 0.79 C ATOM 1389 C VAL A 95 8.045 -6.112 7.238 1.00 0.74 C ATOM 1390 O VAL A 95 7.897 -6.661 8.331 1.00 0.88 O ATOM 1391 CB VAL A 95 5.832 -5.617 6.169 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.007 -6.329 7.232 1.00 1.76 C ATOM 1393 CG2 VAL A 95 5.006 -4.549 5.470 1.00 1.57 C ATOM 0 H VAL A 95 7.396 -4.162 4.884 1.00 0.64 H new ATOM 0 HA VAL A 95 6.829 -4.387 7.642 1.00 0.79 H new ATOM 0 HB VAL A 95 6.134 -6.359 5.430 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.115 -6.757 6.774 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.601 -7.125 7.681 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.713 -5.616 8.002 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.111 -5.002 5.044 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.718 -3.783 6.190 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.597 -4.095 4.674 1.00 1.57 H new ATOM 1403 N ASP A 96 9.012 -6.430 6.392 1.00 0.68 N ATOM 1404 CA ASP A 96 9.953 -7.500 6.676 1.00 0.73 C ATOM 1405 C ASP A 96 11.172 -7.007 7.403 1.00 0.60 C ATOM 1406 O ASP A 96 11.848 -7.784 8.089 1.00 0.68 O ATOM 1407 CB ASP A 96 10.364 -8.199 5.402 1.00 0.94 C ATOM 1408 CG ASP A 96 10.316 -7.309 4.180 1.00 1.04 C ATOM 1409 OD1 ASP A 96 11.305 -6.617 3.902 1.00 1.40 O ATOM 1410 OD2 ASP A 96 9.277 -7.305 3.490 1.00 1.70 O ATOM 0 H ASP A 96 9.165 -5.960 5.500 1.00 0.68 H new ATOM 0 HA ASP A 96 9.441 -8.207 7.329 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.376 -8.586 5.520 1.00 0.94 H new ATOM 0 HB3 ASP A 96 9.712 -9.057 5.242 1.00 0.94 H new ATOM 1415 N LYS A 97 11.460 -5.725 7.248 1.00 0.48 N ATOM 1416 CA LYS A 97 12.430 -5.056 8.090 1.00 0.46 C ATOM 1417 C LYS A 97 13.825 -5.603 7.828 1.00 0.46 C ATOM 1418 O LYS A 97 14.606 -5.860 8.749 1.00 0.70 O ATOM 1419 CB LYS A 97 12.048 -5.208 9.567 1.00 0.59 C ATOM 1420 CG LYS A 97 10.546 -5.218 9.774 1.00 0.67 C ATOM 1421 CD LYS A 97 10.152 -5.165 11.242 1.00 0.82 C ATOM 1422 CE LYS A 97 10.665 -3.912 11.937 1.00 1.34 C ATOM 1423 NZ LYS A 97 10.210 -3.846 13.355 1.00 1.74 N ATOM 0 H LYS A 97 11.031 -5.127 6.542 1.00 0.48 H new ATOM 0 HA LYS A 97 12.432 -3.993 7.848 1.00 0.46 H new ATOM 0 HB2 LYS A 97 12.473 -6.133 9.957 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.486 -4.390 10.139 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.107 -4.367 9.254 1.00 0.67 H new ATOM 0 HG3 LYS A 97 10.128 -6.118 9.323 1.00 0.67 H new ATOM 0 HD2 LYS A 97 9.066 -5.204 11.325 1.00 0.82 H new ATOM 0 HD3 LYS A 97 10.543 -6.046 11.752 1.00 0.82 H new ATOM 0 HE2 LYS A 97 11.754 -3.896 11.903 1.00 1.34 H new ATOM 0 HE3 LYS A 97 10.316 -3.029 11.401 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 10.578 -2.980 13.798 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 9.171 -3.836 13.386 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 10.564 -4.676 13.872 1.00 1.74 H new ATOM 1437 N ASP A 98 14.134 -5.742 6.551 1.00 0.35 N ATOM 1438 CA ASP A 98 15.342 -6.420 6.110 1.00 0.43 C ATOM 1439 C ASP A 98 16.402 -5.450 5.616 1.00 0.39 C ATOM 1440 O ASP A 98 17.498 -5.866 5.230 1.00 0.63 O ATOM 1441 CB ASP A 98 15.007 -7.443 5.013 1.00 0.69 C ATOM 1442 CG ASP A 98 14.151 -6.877 3.888 1.00 0.72 C ATOM 1443 OD1 ASP A 98 13.789 -5.673 3.918 1.00 1.35 O ATOM 1444 OD2 ASP A 98 13.801 -7.641 2.973 1.00 1.51 O ATOM 0 H ASP A 98 13.555 -5.388 5.790 1.00 0.35 H new ATOM 0 HA ASP A 98 15.756 -6.937 6.976 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.936 -7.828 4.592 1.00 0.69 H new ATOM 0 HB3 ASP A 98 14.487 -8.288 5.464 1.00 0.69 H new ATOM 1449 N GLY A 99 16.096 -4.164 5.628 1.00 0.29 N ATOM 1450 CA GLY A 99 17.079 -3.189 5.179 1.00 0.29 C ATOM 1451 C GLY A 99 17.194 -3.141 3.668 1.00 0.24 C ATOM 1452 O GLY A 99 18.199 -2.682 3.130 1.00 0.27 O ATOM 0 H GLY A 99 15.203 -3.777 5.934 1.00 0.29 H new ATOM 0 HA2 GLY A 99 16.805 -2.202 5.552 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.051 -3.433 5.607 1.00 0.29 H new ATOM 1456 N LEU A 100 16.174 -3.643 2.990 1.00 0.23 N ATOM 1457 CA LEU A 100 16.083 -3.553 1.543 1.00 0.21 C ATOM 1458 C LEU A 100 14.618 -3.538 1.145 1.00 0.24 C ATOM 1459 O LEU A 100 13.746 -3.789 1.981 1.00 0.38 O ATOM 1460 CB LEU A 100 16.850 -4.703 0.860 1.00 0.27 C ATOM 1461 CG LEU A 100 16.448 -6.129 1.249 1.00 0.39 C ATOM 1462 CD1 LEU A 100 15.189 -6.570 0.516 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.595 -7.083 0.972 1.00 0.54 C ATOM 0 H LEU A 100 15.388 -4.123 3.427 1.00 0.23 H new ATOM 0 HA LEU A 100 16.552 -2.629 1.206 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.729 -4.598 -0.218 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.911 -4.579 1.076 1.00 0.27 H new ATOM 0 HG LEU A 100 16.226 -6.144 2.316 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.931 -7.586 0.815 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.368 -5.899 0.767 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.365 -6.542 -0.559 1.00 0.41 H new ATOM 0 HD21 LEU A 100 17.302 -8.095 1.251 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.842 -7.056 -0.089 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.466 -6.784 1.555 1.00 0.54 H new ATOM 1475 N LEU A 101 14.352 -3.284 -0.122 1.00 0.20 N ATOM 1476 CA LEU A 101 13.005 -3.075 -0.594 1.00 0.20 C ATOM 1477 C LEU A 101 12.931 -3.576 -2.020 1.00 0.17 C ATOM 1478 O LEU A 101 13.620 -3.065 -2.895 1.00 0.18 O ATOM 1479 CB LEU A 101 12.619 -1.582 -0.563 1.00 0.24 C ATOM 1480 CG LEU A 101 12.497 -0.898 0.811 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.958 0.508 0.627 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.589 -1.666 1.761 1.00 0.58 C ATOM 0 H LEU A 101 15.065 -3.218 -0.848 1.00 0.20 H new ATOM 0 HA LEU A 101 12.313 -3.612 0.055 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.359 -1.033 -1.145 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.664 -1.473 -1.077 1.00 0.24 H new ATOM 0 HG LEU A 101 13.492 -0.873 1.255 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.871 0.994 1.599 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.639 1.079 -0.005 1.00 0.68 H new ATOM 0 HD13 LEU A 101 10.977 0.463 0.155 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.536 -1.143 2.716 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.590 -1.738 1.331 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.990 -2.667 1.918 1.00 0.58 H new ATOM 1494 N ASP A 102 12.138 -4.589 -2.258 1.00 0.16 N ATOM 1495 CA ASP A 102 12.000 -5.101 -3.603 1.00 0.17 C ATOM 1496 C ASP A 102 11.094 -4.172 -4.408 1.00 0.16 C ATOM 1497 O ASP A 102 10.705 -3.123 -3.906 1.00 0.16 O ATOM 1498 CB ASP A 102 11.473 -6.528 -3.568 1.00 0.25 C ATOM 1499 CG ASP A 102 9.953 -6.589 -3.550 1.00 0.77 C ATOM 1500 OD1 ASP A 102 9.360 -6.253 -2.505 1.00 1.50 O ATOM 1501 OD2 ASP A 102 9.355 -7.016 -4.558 1.00 1.40 O ATOM 0 H ASP A 102 11.584 -5.072 -1.551 1.00 0.16 H new ATOM 0 HA ASP A 102 12.973 -5.129 -4.094 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.845 -7.070 -4.437 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.864 -7.034 -2.686 1.00 0.25 H new ATOM 1506 N ASP A 103 10.779 -4.519 -5.650 1.00 0.18 N ATOM 1507 CA ASP A 103 9.961 -3.640 -6.494 1.00 0.19 C ATOM 1508 C ASP A 103 8.589 -3.396 -5.869 1.00 0.16 C ATOM 1509 O ASP A 103 7.999 -2.323 -6.036 1.00 0.17 O ATOM 1510 CB ASP A 103 9.809 -4.201 -7.916 1.00 0.28 C ATOM 1511 CG ASP A 103 9.222 -5.599 -7.974 1.00 0.97 C ATOM 1512 OD1 ASP A 103 8.012 -5.746 -7.705 1.00 1.65 O ATOM 1513 OD2 ASP A 103 9.970 -6.554 -8.252 1.00 1.73 O ATOM 0 H ASP A 103 11.070 -5.389 -6.095 1.00 0.18 H new ATOM 0 HA ASP A 103 10.483 -2.686 -6.564 1.00 0.19 H new ATOM 0 HB2 ASP A 103 9.175 -3.529 -8.494 1.00 0.28 H new ATOM 0 HB3 ASP A 103 10.787 -4.209 -8.398 1.00 0.28 H new ATOM 1518 N GLU A 104 8.100 -4.387 -5.139 1.00 0.18 N ATOM 1519 CA GLU A 104 6.832 -4.279 -4.430 1.00 0.23 C ATOM 1520 C GLU A 104 6.991 -3.376 -3.199 1.00 0.19 C ATOM 1521 O GLU A 104 6.123 -2.550 -2.888 1.00 0.22 O ATOM 1522 CB GLU A 104 6.366 -5.681 -4.036 1.00 0.33 C ATOM 1523 CG GLU A 104 4.954 -5.750 -3.489 1.00 0.65 C ATOM 1524 CD GLU A 104 4.542 -7.176 -3.183 1.00 1.28 C ATOM 1525 OE1 GLU A 104 4.150 -7.897 -4.120 1.00 2.14 O ATOM 1526 OE2 GLU A 104 4.612 -7.578 -2.003 1.00 1.68 O ATOM 0 H GLU A 104 8.568 -5.286 -5.021 1.00 0.18 H new ATOM 0 HA GLU A 104 6.079 -3.826 -5.075 1.00 0.23 H new ATOM 0 HB2 GLU A 104 6.435 -6.330 -4.909 1.00 0.33 H new ATOM 0 HB3 GLU A 104 7.051 -6.079 -3.287 1.00 0.33 H new ATOM 0 HG2 GLU A 104 4.885 -5.148 -2.583 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.262 -5.318 -4.212 1.00 0.65 H new ATOM 1533 N GLU A 105 8.116 -3.524 -2.522 1.00 0.18 N ATOM 1534 CA GLU A 105 8.439 -2.707 -1.363 1.00 0.17 C ATOM 1535 C GLU A 105 8.667 -1.248 -1.741 1.00 0.17 C ATOM 1536 O GLU A 105 8.262 -0.350 -1.010 1.00 0.22 O ATOM 1537 CB GLU A 105 9.672 -3.266 -0.681 1.00 0.19 C ATOM 1538 CG GLU A 105 9.368 -4.122 0.528 1.00 0.26 C ATOM 1539 CD GLU A 105 10.578 -4.921 0.984 1.00 0.40 C ATOM 1540 OE1 GLU A 105 11.065 -5.773 0.213 1.00 1.11 O ATOM 1541 OE2 GLU A 105 11.033 -4.735 2.125 1.00 0.81 O ATOM 0 H GLU A 105 8.831 -4.212 -2.759 1.00 0.18 H new ATOM 0 HA GLU A 105 7.589 -2.738 -0.681 1.00 0.17 H new ATOM 0 HB2 GLU A 105 10.236 -3.859 -1.401 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.313 -2.439 -0.377 1.00 0.19 H new ATOM 0 HG2 GLU A 105 9.026 -3.486 1.345 1.00 0.26 H new ATOM 0 HG3 GLU A 105 8.552 -4.805 0.292 1.00 0.26 H new ATOM 1548 N PHE A 106 9.320 -1.014 -2.875 1.00 0.16 N ATOM 1549 CA PHE A 106 9.503 0.342 -3.380 1.00 0.16 C ATOM 1550 C PHE A 106 8.133 0.910 -3.721 1.00 0.16 C ATOM 1551 O PHE A 106 7.848 2.073 -3.442 1.00 0.18 O ATOM 1552 CB PHE A 106 10.443 0.351 -4.605 1.00 0.19 C ATOM 1553 CG PHE A 106 10.854 1.723 -5.119 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.037 2.838 -5.006 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.079 1.883 -5.733 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.441 4.066 -5.496 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.482 3.100 -6.222 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.665 4.194 -6.099 1.00 0.28 C ATOM 0 H PHE A 106 9.730 -1.743 -3.460 1.00 0.16 H new ATOM 0 HA PHE A 106 9.975 0.965 -2.620 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.345 -0.205 -4.350 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.955 -0.188 -5.417 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.072 2.746 -4.529 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.736 1.031 -5.831 1.00 1.04 H new ATOM 0 HE1 PHE A 106 9.792 4.924 -5.404 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.444 3.196 -6.704 1.00 1.07 H new ATOM 0 HZ PHE A 106 11.985 5.154 -6.476 1.00 0.28 H new ATOM 1568 N ALA A 107 7.275 0.064 -4.285 1.00 0.16 N ATOM 1569 CA ALA A 107 5.907 0.460 -4.584 1.00 0.16 C ATOM 1570 C ALA A 107 5.247 1.080 -3.355 1.00 0.16 C ATOM 1571 O ALA A 107 4.686 2.175 -3.429 1.00 0.18 O ATOM 1572 CB ALA A 107 5.104 -0.731 -5.085 1.00 0.19 C ATOM 0 H ALA A 107 7.504 -0.896 -4.542 1.00 0.16 H new ATOM 0 HA ALA A 107 5.930 1.212 -5.373 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.084 -0.416 -5.303 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.564 -1.125 -5.991 1.00 0.19 H new ATOM 0 HB3 ALA A 107 5.088 -1.507 -4.320 1.00 0.19 H new ATOM 1578 N LEU A 108 5.354 0.404 -2.221 1.00 0.18 N ATOM 1579 CA LEU A 108 4.792 0.937 -0.989 1.00 0.22 C ATOM 1580 C LEU A 108 5.599 2.141 -0.510 1.00 0.19 C ATOM 1581 O LEU A 108 5.028 3.181 -0.203 1.00 0.20 O ATOM 1582 CB LEU A 108 4.761 -0.126 0.110 1.00 0.34 C ATOM 1583 CG LEU A 108 3.622 0.013 1.126 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.766 -1.020 2.207 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.556 1.395 1.740 1.00 1.23 C ATOM 0 H LEU A 108 5.817 -0.500 -2.128 1.00 0.18 H new ATOM 0 HA LEU A 108 3.769 1.249 -1.201 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.689 -1.107 -0.359 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.709 -0.098 0.646 1.00 0.34 H new ATOM 0 HG LEU A 108 2.690 -0.145 0.584 1.00 0.52 H new ATOM 0 HD11 LEU A 108 2.952 -0.913 2.924 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.732 -2.016 1.765 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.719 -0.882 2.717 1.00 1.22 H new ATOM 0 HD21 LEU A 108 2.732 1.438 2.452 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.492 1.609 2.255 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.396 2.135 0.955 1.00 1.23 H new ATOM 1597 N ALA A 109 6.918 1.986 -0.430 1.00 0.19 N ATOM 1598 CA ALA A 109 7.802 3.064 0.022 1.00 0.19 C ATOM 1599 C ALA A 109 7.465 4.409 -0.636 1.00 0.19 C ATOM 1600 O ALA A 109 7.178 5.397 0.046 1.00 0.20 O ATOM 1601 CB ALA A 109 9.250 2.699 -0.257 1.00 0.22 C ATOM 0 H ALA A 109 7.402 1.122 -0.673 1.00 0.19 H new ATOM 0 HA ALA A 109 7.650 3.180 1.095 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.900 3.505 0.082 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.503 1.781 0.274 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.387 2.548 -1.328 1.00 0.22 H new ATOM 1607 N ASN A 110 7.460 4.426 -1.964 1.00 0.19 N ATOM 1608 CA ASN A 110 7.218 5.642 -2.719 1.00 0.19 C ATOM 1609 C ASN A 110 5.750 6.020 -2.623 1.00 0.20 C ATOM 1610 O ASN A 110 5.384 7.184 -2.787 1.00 0.23 O ATOM 1611 CB ASN A 110 7.602 5.450 -4.184 1.00 0.21 C ATOM 1612 CG ASN A 110 7.765 6.764 -4.931 1.00 0.29 C ATOM 1613 OD1 ASN A 110 7.457 6.862 -6.119 1.00 1.18 O ATOM 1614 ND2 ASN A 110 8.280 7.782 -4.251 1.00 1.11 N ATOM 0 H ASN A 110 7.623 3.601 -2.541 1.00 0.19 H new ATOM 0 HA ASN A 110 7.830 6.440 -2.299 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.535 4.889 -4.239 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.839 4.849 -4.679 1.00 0.21 H new ATOM 0 HD21 ASN A 110 8.431 8.679 -4.712 1.00 1.11 H new ATOM 0 HD22 ASN A 110 8.524 7.667 -3.267 1.00 1.11 H new ATOM 1621 N HIS A 111 4.906 5.026 -2.340 1.00 0.23 N ATOM 1622 CA HIS A 111 3.492 5.278 -2.177 1.00 0.25 C ATOM 1623 C HIS A 111 3.272 6.097 -0.919 1.00 0.24 C ATOM 1624 O HIS A 111 2.509 7.056 -0.926 1.00 0.26 O ATOM 1625 CB HIS A 111 2.703 3.970 -2.106 1.00 0.30 C ATOM 1626 CG HIS A 111 1.228 4.183 -2.060 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.463 4.415 -3.182 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.380 4.214 -1.012 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.796 4.578 -2.818 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.876 4.467 -1.506 1.00 0.47 N ATOM 0 H HIS A 111 5.183 4.052 -2.222 1.00 0.23 H new ATOM 0 HA HIS A 111 3.132 5.834 -3.043 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.949 3.356 -2.972 1.00 0.30 H new ATOM 0 HB3 HIS A 111 3.012 3.413 -1.222 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.813 4.455 -4.139 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.641 4.067 0.026 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.624 4.770 -3.485 1.00 0.49 H new ATOM 1639 N LEU A 112 3.959 5.720 0.150 1.00 0.25 N ATOM 1640 CA LEU A 112 3.891 6.452 1.404 1.00 0.28 C ATOM 1641 C LEU A 112 4.465 7.849 1.228 1.00 0.25 C ATOM 1642 O LEU A 112 4.019 8.801 1.869 1.00 0.27 O ATOM 1643 CB LEU A 112 4.658 5.711 2.498 1.00 0.35 C ATOM 1644 CG LEU A 112 4.000 4.428 3.010 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.842 3.820 4.122 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.589 4.712 3.494 1.00 0.54 C ATOM 0 H LEU A 112 4.573 4.906 0.172 1.00 0.25 H new ATOM 0 HA LEU A 112 2.845 6.531 1.700 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.649 5.464 2.119 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.799 6.388 3.341 1.00 0.35 H new ATOM 0 HG LEU A 112 3.938 3.711 2.191 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.367 2.907 4.481 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.835 3.586 3.739 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.928 4.531 4.943 1.00 0.55 H new ATOM 0 HD21 LEU A 112 2.135 3.789 3.855 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.622 5.441 4.304 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.995 5.111 2.671 1.00 0.54 H new ATOM 1658 N ILE A 113 5.458 7.961 0.358 1.00 0.26 N ATOM 1659 CA ILE A 113 6.048 9.253 0.034 1.00 0.26 C ATOM 1660 C ILE A 113 5.011 10.190 -0.574 1.00 0.26 C ATOM 1661 O ILE A 113 4.842 11.324 -0.118 1.00 0.32 O ATOM 1662 CB ILE A 113 7.250 9.099 -0.921 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.360 8.318 -0.218 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.756 10.457 -1.396 1.00 0.33 C ATOM 1665 CD1 ILE A 113 8.900 9.009 1.017 1.00 0.81 C ATOM 0 H ILE A 113 5.873 7.172 -0.137 1.00 0.26 H new ATOM 0 HA ILE A 113 6.407 9.689 0.966 1.00 0.26 H new ATOM 0 HB ILE A 113 6.929 8.547 -1.804 1.00 0.27 H new ATOM 0 HG12 ILE A 113 7.980 7.336 0.063 1.00 0.28 H new ATOM 0 HG13 ILE A 113 9.178 8.155 -0.920 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.603 10.315 -2.067 1.00 0.33 H new ATOM 0 HG22 ILE A 113 6.958 10.978 -1.924 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.069 11.049 -0.536 1.00 0.33 H new ATOM 0 HD11 ILE A 113 9.684 8.397 1.463 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.311 9.980 0.740 1.00 0.81 H new ATOM 0 HD13 ILE A 113 8.094 9.148 1.738 1.00 0.81 H new ATOM 1677 N LYS A 114 4.295 9.718 -1.592 1.00 0.25 N ATOM 1678 CA LYS A 114 3.264 10.549 -2.210 1.00 0.31 C ATOM 1679 C LYS A 114 2.049 10.688 -1.285 1.00 0.32 C ATOM 1680 O LYS A 114 1.311 11.676 -1.357 1.00 0.41 O ATOM 1681 CB LYS A 114 2.869 10.029 -3.602 1.00 0.45 C ATOM 1682 CG LYS A 114 2.379 8.592 -3.644 1.00 0.86 C ATOM 1683 CD LYS A 114 2.205 8.116 -5.078 1.00 1.30 C ATOM 1684 CE LYS A 114 1.118 8.891 -5.810 1.00 1.59 C ATOM 1685 NZ LYS A 114 1.088 8.579 -7.265 1.00 2.22 N ATOM 0 H LYS A 114 4.404 8.789 -1.998 1.00 0.25 H new ATOM 0 HA LYS A 114 3.683 11.544 -2.357 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.087 10.674 -4.004 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.730 10.121 -4.264 1.00 0.45 H new ATOM 0 HG2 LYS A 114 3.089 7.947 -3.127 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.430 8.512 -3.113 1.00 0.86 H new ATOM 0 HD2 LYS A 114 3.149 8.224 -5.612 1.00 1.30 H new ATOM 0 HD3 LYS A 114 1.957 7.055 -5.080 1.00 1.30 H new ATOM 0 HE2 LYS A 114 0.149 8.657 -5.370 1.00 1.59 H new ATOM 0 HE3 LYS A 114 1.281 9.960 -5.673 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 0.367 9.166 -7.731 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 2.020 8.778 -7.682 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 0.856 7.574 -7.400 1.00 2.22 H new ATOM 1699 N VAL A 115 1.872 9.715 -0.392 1.00 0.30 N ATOM 1700 CA VAL A 115 0.857 9.806 0.659 1.00 0.35 C ATOM 1701 C VAL A 115 1.124 11.014 1.553 1.00 0.35 C ATOM 1702 O VAL A 115 0.219 11.808 1.824 1.00 0.42 O ATOM 1703 CB VAL A 115 0.800 8.513 1.513 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.122 8.759 2.850 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.054 7.424 0.762 1.00 0.47 C ATOM 0 H VAL A 115 2.418 8.854 -0.375 1.00 0.30 H new ATOM 0 HA VAL A 115 -0.111 9.928 0.172 1.00 0.35 H new ATOM 0 HB VAL A 115 1.826 8.196 1.701 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.099 7.832 3.423 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.677 9.515 3.406 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.897 9.107 2.682 1.00 0.49 H new ATOM 0 HG21 VAL A 115 0.020 6.520 1.371 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.962 7.758 0.551 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.568 7.211 -0.175 1.00 0.47 H new ATOM 1715 N LYS A 116 2.372 11.185 1.987 1.00 0.35 N ATOM 1716 CA LYS A 116 2.710 12.326 2.814 1.00 0.45 C ATOM 1717 C LYS A 116 3.028 13.540 1.950 1.00 0.48 C ATOM 1718 O LYS A 116 3.362 14.609 2.458 1.00 0.63 O ATOM 1719 CB LYS A 116 3.854 12.003 3.757 1.00 0.59 C ATOM 1720 CG LYS A 116 5.145 11.663 3.068 1.00 0.77 C ATOM 1721 CD LYS A 116 6.300 12.176 3.881 1.00 0.79 C ATOM 1722 CE LYS A 116 6.250 13.695 3.995 1.00 1.68 C ATOM 1723 NZ LYS A 116 6.222 14.361 2.663 1.00 1.91 N ATOM 0 H LYS A 116 3.148 10.556 1.781 1.00 0.35 H new ATOM 0 HA LYS A 116 1.842 12.568 3.428 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.020 12.857 4.414 1.00 0.59 H new ATOM 0 HB3 LYS A 116 3.562 11.165 4.390 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.228 10.584 2.941 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.164 12.104 2.071 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.276 11.731 4.876 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.239 11.872 3.419 1.00 0.79 H new ATOM 0 HE2 LYS A 116 5.366 13.986 4.563 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.118 14.044 4.555 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 6.797 15.227 2.696 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.608 13.716 1.944 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 5.241 14.606 2.418 1.00 1.91 H new ATOM 1737 N LEU A 117 2.937 13.364 0.641 1.00 0.43 N ATOM 1738 CA LEU A 117 3.034 14.472 -0.293 1.00 0.53 C ATOM 1739 C LEU A 117 1.686 15.176 -0.393 1.00 0.60 C ATOM 1740 O LEU A 117 1.618 16.369 -0.691 1.00 0.73 O ATOM 1741 CB LEU A 117 3.470 13.970 -1.670 1.00 0.54 C ATOM 1742 CG LEU A 117 3.587 15.046 -2.747 1.00 0.68 C ATOM 1743 CD1 LEU A 117 4.766 15.963 -2.467 1.00 1.28 C ATOM 1744 CD2 LEU A 117 3.727 14.411 -4.116 1.00 1.17 C ATOM 0 H LEU A 117 2.795 12.455 0.200 1.00 0.43 H new ATOM 0 HA LEU A 117 3.781 15.178 0.069 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.435 13.473 -1.569 1.00 0.54 H new ATOM 0 HB3 LEU A 117 2.757 13.217 -2.007 1.00 0.54 H new ATOM 0 HG LEU A 117 2.676 15.645 -2.731 1.00 0.68 H new ATOM 0 HD11 LEU A 117 4.830 16.722 -3.247 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.629 16.447 -1.500 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.686 15.379 -2.453 1.00 1.28 H new ATOM 0 HD21 LEU A 117 3.809 15.191 -4.872 1.00 1.17 H new ATOM 0 HD22 LEU A 117 4.621 13.788 -4.138 1.00 1.17 H new ATOM 0 HD23 LEU A 117 2.851 13.796 -4.323 1.00 1.17 H new ATOM 1756 N GLU A 118 0.617 14.424 -0.126 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.735 14.985 -0.121 1.00 0.70 C ATOM 1758 C GLU A 118 -0.882 16.061 0.954 1.00 0.79 C ATOM 1759 O GLU A 118 -1.762 16.919 0.875 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.780 13.893 0.115 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.829 12.821 -0.964 1.00 0.78 C ATOM 1762 CD GLU A 118 -3.031 11.912 -0.806 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -3.094 11.171 0.199 1.00 1.78 O ATOM 1764 OE2 GLU A 118 -3.934 11.957 -1.670 1.00 1.99 O ATOM 0 H GLU A 118 0.661 13.428 0.089 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.900 15.435 -1.100 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.578 13.416 1.074 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.763 14.359 0.191 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.859 13.295 -1.945 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.917 12.226 -0.926 1.00 0.78 H new ATOM 1771 N GLY A 119 -0.019 16.012 1.959 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.073 16.996 3.017 1.00 0.86 C ATOM 1773 C GLY A 119 -0.454 16.397 4.352 1.00 0.87 C ATOM 1774 O GLY A 119 -0.740 17.125 5.300 1.00 1.01 O ATOM 0 H GLY A 119 0.715 15.310 2.059 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.899 17.482 3.105 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.793 17.770 2.752 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.466 15.071 4.431 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.701 14.403 5.702 1.00 0.84 C ATOM 1780 C HIS A 120 0.416 13.399 5.965 1.00 0.81 C ATOM 1781 O HIS A 120 0.807 12.654 5.068 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.091 13.731 5.734 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.126 12.265 5.390 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.212 11.281 6.349 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.112 11.620 4.196 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.250 10.102 5.768 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.195 10.275 4.459 1.00 0.87 N ATOM 0 H HIS A 120 -0.318 14.445 3.639 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.694 15.146 6.499 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.511 13.860 6.731 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.745 14.262 5.042 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.242 11.442 7.356 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.048 12.079 3.221 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.315 9.151 6.276 1.00 0.83 H new ATOM 1796 N GLU A 121 0.953 13.408 7.175 1.00 0.93 N ATOM 1797 CA GLU A 121 2.032 12.491 7.525 1.00 1.01 C ATOM 1798 C GLU A 121 1.490 11.098 7.813 1.00 0.79 C ATOM 1799 O GLU A 121 0.290 10.920 8.025 1.00 0.71 O ATOM 1800 CB GLU A 121 2.831 12.999 8.726 1.00 1.31 C ATOM 1801 CG GLU A 121 2.029 13.092 10.009 1.00 1.55 C ATOM 1802 CD GLU A 121 2.853 12.670 11.207 1.00 2.15 C ATOM 1803 OE1 GLU A 121 4.008 13.112 11.325 1.00 2.52 O ATOM 1804 OE2 GLU A 121 2.317 11.953 12.081 1.00 2.75 O ATOM 0 H GLU A 121 0.664 14.034 7.927 1.00 0.93 H new ATOM 0 HA GLU A 121 2.702 12.438 6.667 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.681 12.337 8.889 1.00 1.31 H new ATOM 0 HB3 GLU A 121 3.234 13.984 8.490 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.679 14.115 10.148 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.144 12.460 9.933 1.00 1.55 H new ATOM 1811 N LEU A 122 2.380 10.112 7.805 1.00 0.92 N ATOM 1812 CA LEU A 122 1.993 8.733 8.047 1.00 0.87 C ATOM 1813 C LEU A 122 1.597 8.505 9.489 1.00 0.82 C ATOM 1814 O LEU A 122 2.192 9.067 10.410 1.00 0.95 O ATOM 1815 CB LEU A 122 3.105 7.755 7.669 1.00 1.18 C ATOM 1816 CG LEU A 122 3.325 7.566 6.170 1.00 1.80 C ATOM 1817 CD1 LEU A 122 2.010 7.227 5.487 1.00 2.45 C ATOM 1818 CD2 LEU A 122 3.936 8.804 5.553 1.00 2.70 C ATOM 0 H LEU A 122 3.376 10.246 7.633 1.00 0.92 H new ATOM 0 HA LEU A 122 1.128 8.546 7.410 1.00 0.87 H new ATOM 0 HB2 LEU A 122 4.037 8.100 8.116 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.879 6.785 8.112 1.00 1.18 H new ATOM 0 HG LEU A 122 4.021 6.739 6.027 1.00 1.80 H new ATOM 0 HD11 LEU A 122 2.179 7.094 4.418 1.00 2.45 H new ATOM 0 HD12 LEU A 122 1.608 6.305 5.908 1.00 2.45 H new ATOM 0 HD13 LEU A 122 1.299 8.038 5.644 1.00 2.45 H new ATOM 0 HD21 LEU A 122 4.083 8.644 4.485 1.00 2.70 H new ATOM 0 HD22 LEU A 122 3.269 9.653 5.704 1.00 2.70 H new ATOM 0 HD23 LEU A 122 4.897 9.009 6.024 1.00 2.70 H new ATOM 1830 N PRO A 123 0.609 7.626 9.674 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.023 7.347 10.970 1.00 0.88 C ATOM 1832 C PRO A 123 0.816 6.449 11.872 1.00 0.92 C ATOM 1833 O PRO A 123 0.452 6.219 13.026 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.292 6.600 10.549 1.00 1.00 C ATOM 1835 CG PRO A 123 -0.855 5.851 9.342 1.00 0.95 C ATOM 1836 CD PRO A 123 0.009 6.813 8.594 1.00 0.79 C ATOM 0 HA PRO A 123 -0.179 8.257 11.550 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -1.645 5.931 11.333 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.108 7.286 10.324 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -0.304 4.950 9.612 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -1.708 5.534 8.742 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.769 6.300 8.005 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.571 7.424 7.903 1.00 0.79 H new ATOM 1844 N ALA A 124 1.922 5.939 11.327 1.00 0.89 N ATOM 1845 CA ALA A 124 2.726 4.910 11.991 1.00 1.09 C ATOM 1846 C ALA A 124 1.897 3.639 12.158 1.00 1.10 C ATOM 1847 O ALA A 124 2.216 2.760 12.961 1.00 1.27 O ATOM 1848 CB ALA A 124 3.255 5.395 13.336 1.00 1.34 C ATOM 0 H ALA A 124 2.285 6.225 10.418 1.00 0.89 H new ATOM 0 HA ALA A 124 3.591 4.692 11.365 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.847 4.606 13.800 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.879 6.276 13.185 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.418 5.650 13.986 1.00 1.34 H new ATOM 1854 N ASP A 125 0.841 3.551 11.360 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.058 2.415 11.361 1.00 1.03 C ATOM 1856 C ASP A 125 -0.065 1.791 9.981 1.00 0.87 C ATOM 1857 O ASP A 125 0.064 2.494 8.978 1.00 0.90 O ATOM 1858 CB ASP A 125 -1.476 2.848 11.725 1.00 1.22 C ATOM 1859 CG ASP A 125 -2.416 1.671 11.865 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.179 0.822 12.749 1.00 2.36 O ATOM 1861 OD2 ASP A 125 -3.385 1.580 11.087 1.00 2.14 O ATOM 0 H ASP A 125 0.586 4.276 10.689 1.00 1.00 H new ATOM 0 HA ASP A 125 0.286 1.693 12.102 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -1.454 3.406 12.661 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -1.855 3.524 10.959 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.205 0.488 9.932 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.162 -0.233 8.672 1.00 0.73 C ATOM 1868 C LEU A 126 -1.521 -0.876 8.390 1.00 0.76 C ATOM 1869 O LEU A 126 -1.885 -1.884 9.003 1.00 0.86 O ATOM 1870 CB LEU A 126 0.945 -1.295 8.706 1.00 0.75 C ATOM 1871 CG LEU A 126 1.736 -1.464 7.407 1.00 0.94 C ATOM 1872 CD1 LEU A 126 2.595 -2.716 7.475 1.00 1.67 C ATOM 1873 CD2 LEU A 126 0.809 -1.493 6.205 1.00 1.83 C ATOM 0 H LEU A 126 -0.351 -0.102 10.752 1.00 0.81 H new ATOM 0 HA LEU A 126 0.062 0.469 7.869 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.642 -1.043 9.505 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.497 -2.254 8.965 1.00 0.75 H new ATOM 0 HG LEU A 126 2.396 -0.605 7.287 1.00 0.94 H new ATOM 0 HD11 LEU A 126 3.153 -2.825 6.545 1.00 1.67 H new ATOM 0 HD12 LEU A 126 3.292 -2.634 8.309 1.00 1.67 H new ATOM 0 HD13 LEU A 126 1.957 -3.588 7.620 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.397 -1.614 5.295 1.00 1.83 H new ATOM 0 HD22 LEU A 126 0.114 -2.327 6.302 1.00 1.83 H new ATOM 0 HD23 LEU A 126 0.250 -0.559 6.154 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.293 -0.288 7.465 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.621 -0.761 7.116 1.00 0.89 C ATOM 1887 C PRO A 127 -3.580 -1.820 6.016 1.00 0.85 C ATOM 1888 O PRO A 127 -2.717 -1.781 5.139 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.324 0.510 6.616 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.269 1.576 6.529 1.00 0.91 C ATOM 1891 CD PRO A 127 -1.942 0.888 6.671 1.00 0.78 C ATOM 0 HA PRO A 127 -4.125 -1.240 7.955 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -4.785 0.341 5.643 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.120 0.807 7.299 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -3.331 2.104 5.577 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -3.405 2.319 7.315 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -1.518 0.616 5.704 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.208 1.517 7.175 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.513 -2.787 6.051 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.567 -3.872 5.069 1.00 1.06 C ATOM 1901 C PRO A 128 -4.632 -3.377 3.622 1.00 1.01 C ATOM 1902 O PRO A 128 -4.124 -4.040 2.721 1.00 1.15 O ATOM 1903 CB PRO A 128 -5.838 -4.652 5.425 1.00 1.27 C ATOM 1904 CG PRO A 128 -6.570 -3.825 6.427 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.563 -2.915 7.073 1.00 1.15 C ATOM 0 HA PRO A 128 -3.660 -4.475 5.115 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -6.450 -4.822 4.540 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -5.591 -5.631 5.835 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.359 -3.246 5.946 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -7.050 -4.459 7.173 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -5.999 -1.948 7.325 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.173 -3.339 7.998 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.233 -2.207 3.396 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.314 -1.648 2.041 1.00 0.96 C ATOM 1915 C HIS A 129 -4.014 -0.951 1.656 1.00 0.94 C ATOM 1916 O HIS A 129 -4.020 -0.066 0.808 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.489 -0.656 1.888 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.369 0.616 2.685 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -6.710 0.717 4.013 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -5.939 1.851 2.320 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -6.498 1.953 4.427 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.031 2.664 3.421 1.00 1.48 N ATOM 0 H HIS A 129 -5.665 -1.634 4.120 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.487 -2.490 1.371 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.588 -0.396 0.834 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.409 -1.162 2.179 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.588 2.141 1.341 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -6.678 2.321 5.426 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -5.780 3.652 3.455 1.00 1.48 H new ATOM 1931 N LEU A 130 -2.913 -1.312 2.298 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.630 -0.730 1.950 1.00 0.69 C ATOM 1933 C LEU A 130 -0.489 -1.699 2.215 1.00 0.69 C ATOM 1934 O LEU A 130 0.672 -1.316 2.133 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.392 0.537 2.751 1.00 0.75 C ATOM 1936 CG LEU A 130 -0.592 1.618 2.047 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -1.507 2.592 1.336 1.00 1.27 C ATOM 1938 CD2 LEU A 130 0.286 2.352 3.026 1.00 1.29 C ATOM 0 H LEU A 130 -2.883 -1.997 3.053 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.656 -0.500 0.885 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.359 0.953 3.035 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.876 0.271 3.673 1.00 0.75 H new ATOM 0 HG LEU A 130 0.041 1.135 1.303 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -0.909 3.357 0.840 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -2.101 2.058 0.595 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -2.170 3.064 2.061 1.00 1.27 H new ATOM 0 HD21 LEU A 130 0.851 3.122 2.501 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -0.334 2.816 3.794 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.977 1.650 3.493 1.00 1.29 H new ATOM 1950 N VAL A 131 -0.796 -2.943 2.539 1.00 0.76 N ATOM 1951 CA VAL A 131 0.261 -3.903 2.795 1.00 0.84 C ATOM 1952 C VAL A 131 0.576 -4.653 1.498 1.00 0.76 C ATOM 1953 O VAL A 131 -0.337 -5.065 0.775 1.00 0.76 O ATOM 1954 CB VAL A 131 -0.089 -4.877 3.958 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -0.809 -6.117 3.470 1.00 1.72 C ATOM 1956 CG2 VAL A 131 1.163 -5.252 4.733 1.00 1.59 C ATOM 0 H VAL A 131 -1.745 -3.305 2.629 1.00 0.76 H new ATOM 0 HA VAL A 131 1.149 -3.364 3.124 1.00 0.84 H new ATOM 0 HB VAL A 131 -0.773 -4.352 4.625 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -1.032 -6.765 4.317 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -1.739 -5.829 2.979 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -0.175 -6.651 2.762 1.00 1.72 H new ATOM 0 HG21 VAL A 131 0.900 -5.933 5.542 1.00 1.59 H new ATOM 0 HG22 VAL A 131 1.872 -5.740 4.064 1.00 1.59 H new ATOM 0 HG23 VAL A 131 1.616 -4.352 5.149 1.00 1.59 H new ATOM 1966 N PRO A 132 1.868 -4.773 1.143 1.00 0.78 N ATOM 1967 CA PRO A 132 2.278 -5.395 -0.116 1.00 0.79 C ATOM 1968 C PRO A 132 1.759 -6.826 -0.259 1.00 0.83 C ATOM 1969 O PRO A 132 1.683 -7.573 0.724 1.00 0.85 O ATOM 1970 CB PRO A 132 3.808 -5.376 -0.058 1.00 0.90 C ATOM 1971 CG PRO A 132 4.161 -4.350 0.960 1.00 1.04 C ATOM 1972 CD PRO A 132 3.016 -4.289 1.924 1.00 0.88 C ATOM 0 HA PRO A 132 1.872 -4.862 -0.976 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.201 -6.354 0.220 1.00 0.90 H new ATOM 0 HB3 PRO A 132 4.233 -5.125 -1.030 1.00 0.90 H new ATOM 0 HG2 PRO A 132 5.085 -4.616 1.473 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.324 -3.380 0.491 1.00 1.04 H new ATOM 0 HD2 PRO A 132 3.196 -4.915 2.798 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.853 -3.274 2.286 1.00 0.88 H new