USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 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= 0.518 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.256 X(o=0.77,f=0.69) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.0243 (180deg=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 0.365 (180deg=-1.12!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -169:sc= 0.17 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.76) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0.172 (180deg=0.167) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0472) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.0461 (180deg=-0.307) USER MOD Single : A 76 MET CE :methyl 176:sc= -1.83! (180deg=-1.86!) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.769 (180deg=-1.3) USER MOD Single : A 79 SER OG : rot -28:sc= 0.255 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.822 K(o=-0.82,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 88 LYS NZ :NH3+ -113:sc= -0.911 (180deg=-2.71!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.168 K(o=0.17,f=-0.47) USER MOD Single : A 111 HIS : no HE2:sc= -0.142 K(o=-0.14,f=-7.1!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= 0.821 (180deg=-0.405) USER MOD Single : A 120 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 129 HIS : no HD1:sc=-0.00961 X(o=-0.0096,f=0) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.579 0.220 -3.775 1.00 0.83 N ATOM 588 CA VAL A 45 -4.446 1.251 -4.791 1.00 0.83 C ATOM 589 C VAL A 45 -3.086 1.209 -5.497 1.00 0.65 C ATOM 590 O VAL A 45 -2.986 1.605 -6.650 1.00 0.73 O ATOM 591 CB VAL A 45 -4.653 2.644 -4.151 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.695 3.740 -5.203 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.918 2.665 -3.298 1.00 1.20 C ATOM 0 HA VAL A 45 -5.211 1.062 -5.544 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.798 2.840 -3.504 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.842 4.705 -4.718 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.755 3.751 -5.755 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.518 3.552 -5.892 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -6.044 3.654 -2.858 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.781 2.433 -3.922 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.834 1.923 -2.504 1.00 1.20 H new ATOM 603 N VAL A 46 -2.049 0.688 -4.835 1.00 0.48 N ATOM 604 CA VAL A 46 -0.697 0.718 -5.412 1.00 0.34 C ATOM 605 C VAL A 46 -0.607 -0.087 -6.705 1.00 0.33 C ATOM 606 O VAL A 46 0.347 0.056 -7.469 1.00 0.40 O ATOM 607 CB VAL A 46 0.401 0.256 -4.398 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.046 -1.061 -4.793 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.467 1.334 -4.259 1.00 0.53 C ATOM 0 H VAL A 46 -2.113 0.248 -3.917 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.500 1.763 -5.651 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.095 0.096 -3.441 1.00 0.33 H new ATOM 0 HG11 VAL A 46 1.800 -1.333 -4.054 1.00 0.66 H new ATOM 0 HG12 VAL A 46 0.285 -1.840 -4.838 1.00 0.66 H new ATOM 0 HG13 VAL A 46 1.517 -0.957 -5.770 1.00 0.66 H new ATOM 0 HG21 VAL A 46 2.228 1.004 -3.551 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.929 1.516 -5.229 1.00 0.53 H new ATOM 0 HG23 VAL A 46 1.009 2.254 -3.897 1.00 0.53 H new ATOM 619 N GLY A 47 -1.616 -0.898 -6.980 1.00 0.42 N ATOM 620 CA GLY A 47 -1.652 -1.618 -8.236 1.00 0.54 C ATOM 621 C GLY A 47 -1.843 -0.684 -9.421 1.00 0.56 C ATOM 622 O GLY A 47 -1.807 -1.121 -10.574 1.00 0.72 O ATOM 0 H GLY A 47 -2.407 -1.071 -6.360 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.725 -2.177 -8.360 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.463 -2.346 -8.214 1.00 0.54 H new ATOM 626 N LYS A 48 -2.041 0.606 -9.142 1.00 0.49 N ATOM 627 CA LYS A 48 -2.259 1.589 -10.191 1.00 0.60 C ATOM 628 C LYS A 48 -1.026 2.466 -10.414 1.00 0.54 C ATOM 629 O LYS A 48 -0.800 2.962 -11.515 1.00 0.67 O ATOM 630 CB LYS A 48 -3.456 2.479 -9.837 1.00 0.76 C ATOM 631 CG LYS A 48 -3.166 3.552 -8.797 1.00 0.94 C ATOM 632 CD LYS A 48 -4.328 4.525 -8.656 1.00 1.43 C ATOM 633 CE LYS A 48 -4.608 5.255 -9.960 1.00 2.26 C ATOM 634 NZ LYS A 48 -3.422 6.009 -10.448 1.00 2.97 N ATOM 0 H LYS A 48 -2.054 0.989 -8.197 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.459 1.043 -11.113 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.814 2.961 -10.746 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.265 1.847 -9.471 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -2.966 3.082 -7.834 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -2.266 4.098 -9.078 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.221 3.984 -8.342 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -4.103 5.250 -7.873 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -4.916 4.535 -10.718 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -5.441 5.944 -9.817 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -3.706 6.635 -11.228 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -3.029 6.579 -9.672 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -2.700 5.340 -10.786 1.00 2.97 H new ATOM 648 N ASP A 49 -0.232 2.653 -9.371 1.00 0.45 N ATOM 649 CA ASP A 49 0.918 3.550 -9.433 1.00 0.50 C ATOM 650 C ASP A 49 2.229 2.780 -9.284 1.00 0.40 C ATOM 651 O ASP A 49 3.316 3.358 -9.343 1.00 0.40 O ATOM 652 CB ASP A 49 0.796 4.679 -8.380 1.00 0.68 C ATOM 653 CG ASP A 49 0.478 4.201 -6.962 1.00 1.09 C ATOM 654 OD1 ASP A 49 -0.224 3.170 -6.816 1.00 1.83 O ATOM 655 OD2 ASP A 49 0.948 4.822 -5.994 1.00 1.58 O ATOM 0 H ASP A 49 -0.361 2.196 -8.468 1.00 0.45 H new ATOM 0 HA ASP A 49 0.928 4.018 -10.418 1.00 0.50 H new ATOM 0 HB2 ASP A 49 1.731 5.239 -8.359 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.017 5.371 -8.698 1.00 0.68 H new ATOM 660 N LYS A 50 2.106 1.462 -9.156 1.00 0.37 N ATOM 661 CA LYS A 50 3.240 0.556 -9.063 1.00 0.35 C ATOM 662 C LYS A 50 4.188 0.687 -10.259 1.00 0.35 C ATOM 663 O LYS A 50 5.392 0.744 -10.054 1.00 0.35 O ATOM 664 CB LYS A 50 2.753 -0.889 -8.961 1.00 0.39 C ATOM 665 CG LYS A 50 3.872 -1.898 -8.789 1.00 0.48 C ATOM 666 CD LYS A 50 3.366 -3.320 -8.923 1.00 0.63 C ATOM 667 CE LYS A 50 4.489 -4.321 -8.730 1.00 0.80 C ATOM 668 NZ LYS A 50 5.654 -4.036 -9.608 1.00 1.13 N ATOM 0 H LYS A 50 1.203 0.990 -9.114 1.00 0.37 H new ATOM 0 HA LYS A 50 3.794 0.830 -8.165 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.067 -0.973 -8.118 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.187 -1.137 -9.859 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.646 -1.715 -9.535 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.334 -1.766 -7.811 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.583 -3.501 -8.187 1.00 0.63 H new ATOM 0 HD3 LYS A 50 2.917 -3.458 -9.907 1.00 0.63 H new ATOM 0 HE2 LYS A 50 4.810 -4.308 -7.688 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.118 -5.325 -8.937 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.271 -4.872 -9.648 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.319 -3.806 -10.565 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 6.188 -3.230 -9.225 1.00 1.13 H new ATOM 682 N PRO A 51 3.678 0.725 -11.519 1.00 0.39 N ATOM 683 CA PRO A 51 4.522 0.833 -12.719 1.00 0.43 C ATOM 684 C PRO A 51 5.603 1.905 -12.603 1.00 0.37 C ATOM 685 O PRO A 51 6.712 1.731 -13.103 1.00 0.36 O ATOM 686 CB PRO A 51 3.533 1.203 -13.841 1.00 0.56 C ATOM 687 CG PRO A 51 2.224 1.450 -13.167 1.00 0.55 C ATOM 688 CD PRO A 51 2.258 0.646 -11.903 1.00 0.45 C ATOM 0 HA PRO A 51 5.065 -0.096 -12.894 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.868 2.089 -14.381 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.451 0.397 -14.571 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.088 2.510 -12.953 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.393 1.144 -13.803 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.606 1.065 -11.137 1.00 0.45 H new ATOM 0 HD3 PRO A 51 1.938 -0.383 -12.067 1.00 0.45 H new ATOM 696 N THR A 52 5.281 3.000 -11.923 1.00 0.36 N ATOM 697 CA THR A 52 6.205 4.110 -11.765 1.00 0.36 C ATOM 698 C THR A 52 7.275 3.788 -10.720 1.00 0.29 C ATOM 699 O THR A 52 8.439 4.141 -10.869 1.00 0.32 O ATOM 700 CB THR A 52 5.440 5.387 -11.364 1.00 0.44 C ATOM 701 OG1 THR A 52 4.417 5.652 -12.334 1.00 0.60 O ATOM 702 CG2 THR A 52 6.375 6.585 -11.264 1.00 0.50 C ATOM 0 H THR A 52 4.378 3.140 -11.470 1.00 0.36 H new ATOM 0 HA THR A 52 6.701 4.277 -12.721 1.00 0.36 H new ATOM 0 HB THR A 52 4.993 5.226 -10.383 1.00 0.44 H new ATOM 0 HG1 THR A 52 3.928 6.463 -12.081 1.00 0.60 H new ATOM 0 HG21 THR A 52 5.804 7.469 -10.980 1.00 0.50 H new ATOM 0 HG22 THR A 52 7.139 6.389 -10.512 1.00 0.50 H new ATOM 0 HG23 THR A 52 6.852 6.756 -12.229 1.00 0.50 H new ATOM 710 N TYR A 53 6.890 3.083 -9.682 1.00 0.25 N ATOM 711 CA TYR A 53 7.821 2.775 -8.612 1.00 0.24 C ATOM 712 C TYR A 53 8.673 1.580 -8.987 1.00 0.22 C ATOM 713 O TYR A 53 9.785 1.415 -8.499 1.00 0.24 O ATOM 714 CB TYR A 53 7.046 2.466 -7.349 1.00 0.27 C ATOM 715 CG TYR A 53 5.983 3.489 -7.040 1.00 0.31 C ATOM 716 CD1 TYR A 53 6.198 4.835 -7.288 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.759 3.106 -6.521 1.00 0.64 C ATOM 718 CE1 TYR A 53 5.227 5.773 -7.027 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.780 4.036 -6.260 1.00 0.68 C ATOM 720 CZ TYR A 53 4.020 5.370 -6.515 1.00 0.62 C ATOM 721 OH TYR A 53 3.050 6.301 -6.254 1.00 0.79 O ATOM 0 H TYR A 53 5.948 2.713 -9.552 1.00 0.25 H new ATOM 0 HA TYR A 53 8.471 3.634 -8.447 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.580 1.485 -7.447 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.739 2.407 -6.510 1.00 0.27 H new ATOM 0 HD1 TYR A 53 7.147 5.154 -7.694 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.570 2.062 -6.318 1.00 0.64 H new ATOM 0 HE1 TYR A 53 5.413 6.819 -7.224 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.828 3.723 -5.857 1.00 0.68 H new ATOM 0 HH TYR A 53 2.329 5.886 -5.736 1.00 0.79 H new ATOM 731 N ASP A 54 8.139 0.773 -9.885 1.00 0.21 N ATOM 732 CA ASP A 54 8.857 -0.372 -10.429 1.00 0.23 C ATOM 733 C ASP A 54 9.902 0.104 -11.436 1.00 0.22 C ATOM 734 O ASP A 54 11.029 -0.395 -11.469 1.00 0.23 O ATOM 735 CB ASP A 54 7.843 -1.327 -11.087 1.00 0.31 C ATOM 736 CG ASP A 54 8.453 -2.374 -12.009 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.847 -2.018 -13.139 1.00 1.14 O ATOM 738 OD2 ASP A 54 8.477 -3.565 -11.636 1.00 1.16 O ATOM 0 H ASP A 54 7.197 0.890 -10.259 1.00 0.21 H new ATOM 0 HA ASP A 54 9.378 -0.905 -9.633 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.284 -1.837 -10.302 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.126 -0.736 -11.657 1.00 0.31 H new ATOM 743 N GLU A 55 9.543 1.103 -12.236 1.00 0.24 N ATOM 744 CA GLU A 55 10.475 1.651 -13.215 1.00 0.28 C ATOM 745 C GLU A 55 11.613 2.384 -12.523 1.00 0.29 C ATOM 746 O GLU A 55 12.758 2.277 -12.948 1.00 0.35 O ATOM 747 CB GLU A 55 9.764 2.557 -14.227 1.00 0.35 C ATOM 748 CG GLU A 55 9.076 3.768 -13.625 1.00 0.40 C ATOM 749 CD GLU A 55 9.693 5.078 -14.071 1.00 0.88 C ATOM 750 OE1 GLU A 55 10.759 5.445 -13.532 1.00 1.63 O ATOM 751 OE2 GLU A 55 9.118 5.750 -14.948 1.00 1.38 O ATOM 0 H GLU A 55 8.624 1.545 -12.227 1.00 0.24 H new ATOM 0 HA GLU A 55 10.899 0.816 -13.773 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.493 2.899 -14.962 1.00 0.35 H new ATOM 0 HB3 GLU A 55 9.023 1.966 -14.765 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.022 3.756 -13.902 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.121 3.702 -12.538 1.00 0.40 H new ATOM 758 N ILE A 56 11.312 3.103 -11.444 1.00 0.27 N ATOM 759 CA ILE A 56 12.362 3.744 -10.664 1.00 0.30 C ATOM 760 C ILE A 56 13.157 2.679 -9.914 1.00 0.27 C ATOM 761 O ILE A 56 14.347 2.830 -9.672 1.00 0.30 O ATOM 762 CB ILE A 56 11.795 4.784 -9.666 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.936 5.806 -10.408 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.929 5.495 -8.931 1.00 0.36 C ATOM 765 CD1 ILE A 56 10.041 6.617 -9.507 1.00 0.61 C ATOM 0 H ILE A 56 10.365 3.254 -11.096 1.00 0.27 H new ATOM 0 HA ILE A 56 13.013 4.281 -11.354 1.00 0.30 H new ATOM 0 HB ILE A 56 11.179 4.261 -8.934 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.588 6.482 -10.961 1.00 0.42 H new ATOM 0 HG13 ILE A 56 10.321 5.285 -11.142 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.512 6.222 -8.234 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.521 4.764 -8.381 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.565 6.008 -9.653 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.463 7.320 -10.106 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.363 5.951 -8.973 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.649 7.167 -8.789 1.00 0.61 H new ATOM 777 N PHE A 57 12.486 1.583 -9.589 1.00 0.24 N ATOM 778 CA PHE A 57 13.111 0.442 -8.931 1.00 0.22 C ATOM 779 C PHE A 57 14.280 -0.099 -9.754 1.00 0.24 C ATOM 780 O PHE A 57 15.402 -0.200 -9.257 1.00 0.32 O ATOM 781 CB PHE A 57 12.060 -0.643 -8.695 1.00 0.20 C ATOM 782 CG PHE A 57 12.596 -1.925 -8.140 1.00 0.19 C ATOM 783 CD1 PHE A 57 13.100 -1.980 -6.855 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.581 -3.081 -8.904 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.584 -3.164 -6.340 1.00 0.83 C ATOM 786 CE2 PHE A 57 13.060 -4.269 -8.394 1.00 0.88 C ATOM 787 CZ PHE A 57 13.564 -4.310 -7.109 1.00 0.28 C ATOM 0 H PHE A 57 11.491 1.459 -9.774 1.00 0.24 H new ATOM 0 HA PHE A 57 13.515 0.765 -7.971 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.305 -0.255 -8.012 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.557 -0.854 -9.639 1.00 0.20 H new ATOM 0 HD1 PHE A 57 13.115 -1.087 -6.248 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.190 -3.051 -9.910 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.979 -3.195 -5.335 1.00 0.83 H new ATOM 0 HE2 PHE A 57 13.041 -5.164 -8.997 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.942 -5.238 -6.706 1.00 0.28 H new ATOM 797 N TYR A 58 14.023 -0.424 -11.017 1.00 0.26 N ATOM 798 CA TYR A 58 15.078 -0.914 -11.903 1.00 0.29 C ATOM 799 C TYR A 58 16.033 0.216 -12.272 1.00 0.33 C ATOM 800 O TYR A 58 17.189 -0.016 -12.619 1.00 0.37 O ATOM 801 CB TYR A 58 14.480 -1.535 -13.166 1.00 0.33 C ATOM 802 CG TYR A 58 13.759 -2.840 -12.912 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.457 -2.850 -12.438 1.00 0.88 C ATOM 804 CD2 TYR A 58 14.380 -4.064 -13.146 1.00 1.00 C ATOM 805 CE1 TYR A 58 11.793 -4.033 -12.205 1.00 0.92 C ATOM 806 CE2 TYR A 58 13.717 -5.254 -12.914 1.00 1.03 C ATOM 807 CZ TYR A 58 12.423 -5.231 -12.444 1.00 0.50 C ATOM 808 OH TYR A 58 11.751 -6.408 -12.216 1.00 0.61 O ATOM 0 H TYR A 58 13.101 -0.358 -11.449 1.00 0.26 H new ATOM 0 HA TYR A 58 15.637 -1.684 -11.372 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.785 -0.826 -13.616 1.00 0.33 H new ATOM 0 HB3 TYR A 58 15.276 -1.704 -13.891 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.954 -1.913 -12.248 1.00 0.88 H new ATOM 0 HD2 TYR A 58 15.395 -4.084 -13.514 1.00 1.00 H new ATOM 0 HE1 TYR A 58 10.778 -4.020 -11.835 1.00 0.92 H new ATOM 0 HE2 TYR A 58 14.211 -6.196 -13.100 1.00 1.03 H new ATOM 0 HH TYR A 58 12.334 -7.165 -12.434 1.00 0.61 H new ATOM 818 N THR A 59 15.543 1.439 -12.169 1.00 0.33 N ATOM 819 CA THR A 59 16.345 2.621 -12.424 1.00 0.38 C ATOM 820 C THR A 59 17.362 2.847 -11.294 1.00 0.38 C ATOM 821 O THR A 59 18.465 3.346 -11.522 1.00 0.44 O ATOM 822 CB THR A 59 15.415 3.846 -12.596 1.00 0.40 C ATOM 823 OG1 THR A 59 14.709 3.741 -13.837 1.00 0.44 O ATOM 824 CG2 THR A 59 16.173 5.158 -12.554 1.00 0.44 C ATOM 0 H THR A 59 14.578 1.640 -11.906 1.00 0.33 H new ATOM 0 HA THR A 59 16.911 2.478 -13.344 1.00 0.38 H new ATOM 0 HB THR A 59 14.716 3.845 -11.759 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.806 3.399 -13.672 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.475 5.986 -12.679 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.681 5.254 -11.595 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.909 5.179 -13.358 1.00 0.44 H new ATOM 832 N LEU A 60 16.997 2.433 -10.084 1.00 0.33 N ATOM 833 CA LEU A 60 17.872 2.560 -8.926 1.00 0.35 C ATOM 834 C LEU A 60 18.839 1.378 -8.838 1.00 0.36 C ATOM 835 O LEU A 60 19.658 1.298 -7.921 1.00 0.45 O ATOM 836 CB LEU A 60 17.038 2.669 -7.645 1.00 0.35 C ATOM 837 CG LEU A 60 16.208 3.943 -7.510 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.596 4.022 -6.121 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.060 5.171 -7.797 1.00 0.76 C ATOM 0 H LEU A 60 16.094 2.004 -9.881 1.00 0.33 H new ATOM 0 HA LEU A 60 18.463 3.469 -9.040 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.367 1.812 -7.595 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.708 2.600 -6.788 1.00 0.35 H new ATOM 0 HG LEU A 60 15.402 3.915 -8.243 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.006 4.934 -6.035 1.00 0.79 H new ATOM 0 HD12 LEU A 60 14.953 3.157 -5.957 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.390 4.031 -5.374 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.450 6.069 -7.696 1.00 0.76 H new ATOM 0 HD22 LEU A 60 17.888 5.213 -7.089 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.453 5.112 -8.812 1.00 0.76 H new ATOM 851 N SER A 61 18.733 0.476 -9.813 1.00 0.33 N ATOM 852 CA SER A 61 19.592 -0.705 -9.913 1.00 0.36 C ATOM 853 C SER A 61 19.344 -1.677 -8.758 1.00 0.33 C ATOM 854 O SER A 61 19.982 -1.594 -7.707 1.00 0.37 O ATOM 855 CB SER A 61 21.073 -0.300 -9.964 1.00 0.45 C ATOM 856 OG SER A 61 21.911 -1.416 -10.224 1.00 0.64 O ATOM 0 H SER A 61 18.044 0.544 -10.562 1.00 0.33 H new ATOM 0 HA SER A 61 19.339 -1.216 -10.842 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.218 0.453 -10.738 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.359 0.157 -9.017 1.00 0.45 H new ATOM 0 HG SER A 61 22.846 -1.124 -10.251 1.00 0.64 H new ATOM 862 N PRO A 62 18.388 -2.600 -8.933 1.00 0.29 N ATOM 863 CA PRO A 62 18.084 -3.610 -7.930 1.00 0.31 C ATOM 864 C PRO A 62 18.980 -4.843 -8.025 1.00 0.32 C ATOM 865 O PRO A 62 19.594 -5.109 -9.063 1.00 0.46 O ATOM 866 CB PRO A 62 16.636 -3.978 -8.241 1.00 0.37 C ATOM 867 CG PRO A 62 16.459 -3.718 -9.702 1.00 0.36 C ATOM 868 CD PRO A 62 17.512 -2.715 -10.111 1.00 0.29 C ATOM 0 HA PRO A 62 18.246 -3.235 -6.920 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.437 -5.023 -8.002 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.944 -3.379 -7.650 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.565 -4.641 -10.272 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.460 -3.331 -9.905 1.00 0.36 H new ATOM 0 HD2 PRO A 62 18.066 -3.055 -10.986 1.00 0.29 H new ATOM 0 HD3 PRO A 62 17.066 -1.755 -10.370 1.00 0.29 H new ATOM 876 N VAL A 63 19.051 -5.593 -6.935 1.00 0.33 N ATOM 877 CA VAL A 63 19.830 -6.814 -6.889 1.00 0.42 C ATOM 878 C VAL A 63 19.091 -7.872 -6.080 1.00 0.44 C ATOM 879 O VAL A 63 18.532 -7.582 -5.019 1.00 0.45 O ATOM 880 CB VAL A 63 21.237 -6.578 -6.306 1.00 0.58 C ATOM 881 CG1 VAL A 63 21.171 -5.940 -4.925 1.00 1.33 C ATOM 882 CG2 VAL A 63 22.037 -7.873 -6.265 1.00 1.28 C ATOM 0 H VAL A 63 18.571 -5.371 -6.063 1.00 0.33 H new ATOM 0 HA VAL A 63 19.958 -7.165 -7.913 1.00 0.42 H new ATOM 0 HB VAL A 63 21.751 -5.881 -6.968 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.182 -5.789 -4.545 1.00 1.33 H new ATOM 0 HG12 VAL A 63 20.661 -4.979 -4.992 1.00 1.33 H new ATOM 0 HG13 VAL A 63 20.623 -6.595 -4.247 1.00 1.33 H new ATOM 0 HG21 VAL A 63 23.025 -7.677 -5.849 1.00 1.28 H new ATOM 0 HG22 VAL A 63 21.519 -8.601 -5.641 1.00 1.28 H new ATOM 0 HG23 VAL A 63 22.140 -8.269 -7.275 1.00 1.28 H new ATOM 892 N ASN A 64 19.051 -9.082 -6.624 1.00 0.54 N ATOM 893 CA ASN A 64 18.353 -10.208 -6.009 1.00 0.63 C ATOM 894 C ASN A 64 16.863 -9.914 -5.943 1.00 0.55 C ATOM 895 O ASN A 64 16.119 -10.538 -5.187 1.00 0.60 O ATOM 896 CB ASN A 64 18.904 -10.498 -4.605 1.00 0.71 C ATOM 897 CG ASN A 64 20.384 -10.831 -4.619 1.00 1.08 C ATOM 898 OD1 ASN A 64 20.894 -11.425 -5.567 1.00 1.42 O ATOM 899 ND2 ASN A 64 21.086 -10.432 -3.574 1.00 1.67 N ATOM 0 H ASN A 64 19.504 -9.313 -7.509 1.00 0.54 H new ATOM 0 HA ASN A 64 18.517 -11.094 -6.622 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.736 -9.631 -3.966 1.00 0.71 H new ATOM 0 HB3 ASN A 64 18.352 -11.329 -4.166 1.00 0.71 H new ATOM 0 HD21 ASN A 64 22.089 -10.614 -3.534 1.00 1.67 H new ATOM 0 HD22 ASN A 64 20.625 -9.942 -2.807 1.00 1.67 H new ATOM 906 N GLY A 65 16.435 -8.982 -6.783 1.00 0.49 N ATOM 907 CA GLY A 65 15.027 -8.667 -6.901 1.00 0.50 C ATOM 908 C GLY A 65 14.584 -7.515 -6.013 1.00 0.39 C ATOM 909 O GLY A 65 13.407 -7.163 -6.013 1.00 0.49 O ATOM 0 H GLY A 65 17.045 -8.434 -7.390 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.804 -8.421 -7.939 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.443 -9.553 -6.651 1.00 0.50 H new ATOM 913 N LYS A 66 15.505 -6.930 -5.239 1.00 0.33 N ATOM 914 CA LYS A 66 15.164 -5.784 -4.396 1.00 0.26 C ATOM 915 C LYS A 66 16.221 -4.700 -4.520 1.00 0.21 C ATOM 916 O LYS A 66 17.323 -4.957 -4.996 1.00 0.27 O ATOM 917 CB LYS A 66 15.046 -6.157 -2.914 1.00 0.30 C ATOM 918 CG LYS A 66 14.584 -7.574 -2.637 1.00 0.75 C ATOM 919 CD LYS A 66 15.725 -8.546 -2.832 1.00 0.61 C ATOM 920 CE LYS A 66 15.527 -9.826 -2.046 1.00 1.21 C ATOM 921 NZ LYS A 66 14.446 -10.674 -2.618 1.00 1.82 N ATOM 0 H LYS A 66 16.479 -7.228 -5.180 1.00 0.33 H new ATOM 0 HA LYS A 66 14.196 -5.428 -4.747 1.00 0.26 H new ATOM 0 HB2 LYS A 66 16.017 -6.010 -2.441 1.00 0.30 H new ATOM 0 HB3 LYS A 66 14.351 -5.466 -2.437 1.00 0.30 H new ATOM 0 HG2 LYS A 66 14.205 -7.647 -1.618 1.00 0.75 H new ATOM 0 HG3 LYS A 66 13.760 -7.832 -3.303 1.00 0.75 H new ATOM 0 HD2 LYS A 66 15.821 -8.783 -3.892 1.00 0.61 H new ATOM 0 HD3 LYS A 66 16.658 -8.074 -2.525 1.00 0.61 H new ATOM 0 HE2 LYS A 66 16.460 -10.390 -2.032 1.00 1.21 H new ATOM 0 HE3 LYS A 66 15.286 -9.582 -1.011 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 14.391 -11.569 -2.091 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 13.537 -10.173 -2.546 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 14.653 -10.874 -3.617 1.00 1.82 H new ATOM 935 N ILE A 67 15.889 -3.494 -4.086 1.00 0.18 N ATOM 936 CA ILE A 67 16.890 -2.445 -3.974 1.00 0.20 C ATOM 937 C ILE A 67 17.509 -2.469 -2.602 1.00 0.19 C ATOM 938 O ILE A 67 16.803 -2.600 -1.598 1.00 0.21 O ATOM 939 CB ILE A 67 16.335 -1.025 -4.238 1.00 0.25 C ATOM 940 CG1 ILE A 67 14.921 -0.875 -3.676 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.369 -0.712 -5.725 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.279 0.454 -3.998 1.00 0.35 C ATOM 0 H ILE A 67 14.947 -3.219 -3.809 1.00 0.18 H new ATOM 0 HA ILE A 67 17.630 -2.655 -4.746 1.00 0.20 H new ATOM 0 HB ILE A 67 16.972 -0.306 -3.722 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.296 -1.676 -4.070 1.00 0.29 H new ATOM 0 HG13 ILE A 67 14.954 -1.000 -2.594 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.975 0.290 -5.895 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.397 -0.764 -6.084 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.759 -1.437 -6.264 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.278 0.488 -3.567 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.882 1.260 -3.580 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.213 0.574 -5.079 1.00 0.35 H new ATOM 954 N THR A 68 18.825 -2.361 -2.556 1.00 0.24 N ATOM 955 CA THR A 68 19.510 -2.188 -1.300 1.00 0.30 C ATOM 956 C THR A 68 18.994 -0.920 -0.652 1.00 0.36 C ATOM 957 O THR A 68 18.963 0.138 -1.277 1.00 0.70 O ATOM 958 CB THR A 68 21.034 -2.123 -1.492 1.00 0.44 C ATOM 959 OG1 THR A 68 21.335 -1.523 -2.758 1.00 0.65 O ATOM 960 CG2 THR A 68 21.653 -3.512 -1.417 1.00 0.55 C ATOM 0 H THR A 68 19.434 -2.391 -3.374 1.00 0.24 H new ATOM 0 HA THR A 68 19.312 -3.046 -0.658 1.00 0.30 H new ATOM 0 HB THR A 68 21.457 -1.518 -0.691 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.307 -1.481 -2.877 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.732 -3.438 -1.556 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.442 -3.952 -0.442 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.229 -4.142 -2.199 1.00 0.55 H new ATOM 968 N GLY A 69 18.554 -1.051 0.587 1.00 0.29 N ATOM 969 CA GLY A 69 17.782 -0.016 1.227 1.00 0.31 C ATOM 970 C GLY A 69 18.376 1.373 1.128 1.00 0.31 C ATOM 971 O GLY A 69 17.633 2.340 1.060 1.00 0.38 O ATOM 0 H GLY A 69 18.723 -1.872 1.168 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.785 -0.002 0.787 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.662 -0.270 2.280 1.00 0.31 H new ATOM 975 N ALA A 70 19.700 1.470 1.099 1.00 0.33 N ATOM 976 CA ALA A 70 20.387 2.760 0.969 1.00 0.37 C ATOM 977 C ALA A 70 19.849 3.594 -0.204 1.00 0.35 C ATOM 978 O ALA A 70 19.797 4.819 -0.127 1.00 0.39 O ATOM 979 CB ALA A 70 21.882 2.540 0.805 1.00 0.44 C ATOM 0 H ALA A 70 20.327 0.668 1.164 1.00 0.33 H new ATOM 0 HA ALA A 70 20.194 3.322 1.883 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.383 3.503 0.709 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.270 2.014 1.677 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.066 1.945 -0.089 1.00 0.44 H new ATOM 985 N ASN A 71 19.429 2.923 -1.273 1.00 0.35 N ATOM 986 CA ASN A 71 18.963 3.608 -2.478 1.00 0.37 C ATOM 987 C ASN A 71 17.544 4.106 -2.274 1.00 0.34 C ATOM 988 O ASN A 71 17.185 5.202 -2.694 1.00 0.34 O ATOM 989 CB ASN A 71 18.995 2.673 -3.691 1.00 0.47 C ATOM 990 CG ASN A 71 20.138 1.680 -3.646 1.00 1.01 C ATOM 991 OD1 ASN A 71 21.237 1.982 -3.177 1.00 2.11 O ATOM 992 ND2 ASN A 71 19.874 0.476 -4.122 1.00 1.00 N ATOM 0 H ASN A 71 19.401 1.905 -1.331 1.00 0.35 H new ATOM 0 HA ASN A 71 19.630 4.449 -2.665 1.00 0.37 H new ATOM 0 HB2 ASN A 71 18.052 2.130 -3.748 1.00 0.47 H new ATOM 0 HB3 ASN A 71 19.075 3.269 -4.600 1.00 0.47 H new ATOM 0 HD21 ASN A 71 20.594 -0.246 -4.110 1.00 1.00 H new ATOM 0 HD22 ASN A 71 18.950 0.269 -4.501 1.00 1.00 H new ATOM 999 N ALA A 72 16.743 3.300 -1.597 1.00 0.35 N ATOM 1000 CA ALA A 72 15.371 3.663 -1.316 1.00 0.35 C ATOM 1001 C ALA A 72 15.346 4.756 -0.260 1.00 0.31 C ATOM 1002 O ALA A 72 14.489 5.641 -0.272 1.00 0.30 O ATOM 1003 CB ALA A 72 14.593 2.449 -0.855 1.00 0.42 C ATOM 0 H ALA A 72 17.023 2.389 -1.233 1.00 0.35 H new ATOM 0 HA ALA A 72 14.900 4.039 -2.224 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.562 2.735 -0.647 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.608 1.689 -1.636 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.048 2.047 0.050 1.00 0.42 H new ATOM 1009 N LYS A 73 16.319 4.687 0.641 1.00 0.31 N ATOM 1010 CA LYS A 73 16.510 5.720 1.645 1.00 0.31 C ATOM 1011 C LYS A 73 16.902 7.008 0.951 1.00 0.29 C ATOM 1012 O LYS A 73 16.468 8.087 1.325 1.00 0.30 O ATOM 1013 CB LYS A 73 17.592 5.325 2.659 1.00 0.37 C ATOM 1014 CG LYS A 73 17.241 4.094 3.480 1.00 0.39 C ATOM 1015 CD LYS A 73 15.920 4.269 4.206 1.00 0.44 C ATOM 1016 CE LYS A 73 16.042 5.197 5.411 1.00 0.85 C ATOM 1017 NZ LYS A 73 16.776 4.562 6.539 1.00 1.69 N ATOM 0 H LYS A 73 16.990 3.921 0.694 1.00 0.31 H new ATOM 0 HA LYS A 73 15.577 5.852 2.192 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.526 5.142 2.128 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.768 6.163 3.334 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.186 3.223 2.827 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.033 3.900 4.204 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.178 4.669 3.515 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.557 3.295 4.535 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.557 6.110 5.113 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.046 5.487 5.746 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 16.689 5.156 7.388 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 16.373 3.623 6.731 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 17.780 4.463 6.288 1.00 1.69 H new ATOM 1031 N LYS A 74 17.710 6.859 -0.089 1.00 0.31 N ATOM 1032 CA LYS A 74 18.138 7.978 -0.918 1.00 0.34 C ATOM 1033 C LYS A 74 16.929 8.714 -1.483 1.00 0.31 C ATOM 1034 O LYS A 74 16.872 9.950 -1.491 1.00 0.33 O ATOM 1035 CB LYS A 74 19.000 7.461 -2.071 1.00 0.44 C ATOM 1036 CG LYS A 74 19.871 8.524 -2.691 1.00 0.83 C ATOM 1037 CD LYS A 74 20.958 8.953 -1.727 1.00 1.02 C ATOM 1038 CE LYS A 74 21.916 7.806 -1.413 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.576 7.281 -2.639 1.00 1.35 N ATOM 0 H LYS A 74 18.088 5.958 -0.383 1.00 0.31 H new ATOM 0 HA LYS A 74 18.717 8.667 -0.304 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.632 6.651 -1.707 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.351 7.040 -2.839 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.321 8.144 -3.608 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.262 9.385 -2.967 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.515 9.787 -2.154 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.505 9.312 -0.803 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.676 8.150 -0.711 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.369 7.001 -0.922 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.390 6.693 -2.370 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 21.898 6.707 -3.180 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.902 8.076 -3.225 1.00 1.35 H new ATOM 1053 N GLU A 75 15.972 7.936 -1.967 1.00 0.34 N ATOM 1054 CA GLU A 75 14.733 8.490 -2.522 1.00 0.38 C ATOM 1055 C GLU A 75 13.915 9.228 -1.458 1.00 0.34 C ATOM 1056 O GLU A 75 13.554 10.397 -1.631 1.00 0.38 O ATOM 1057 CB GLU A 75 13.877 7.389 -3.170 1.00 0.47 C ATOM 1058 CG GLU A 75 14.565 6.638 -4.305 1.00 0.62 C ATOM 1059 CD GLU A 75 15.350 7.554 -5.230 1.00 0.96 C ATOM 1060 OE1 GLU A 75 16.501 7.902 -4.892 1.00 1.36 O ATOM 1061 OE2 GLU A 75 14.829 7.910 -6.311 1.00 1.48 O ATOM 0 H GLU A 75 16.024 6.918 -1.989 1.00 0.34 H new ATOM 0 HA GLU A 75 15.022 9.209 -3.288 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.586 6.673 -2.401 1.00 0.47 H new ATOM 0 HB3 GLU A 75 12.960 7.837 -3.552 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.238 5.891 -3.884 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.815 6.100 -4.885 1.00 0.62 H new ATOM 1068 N MET A 76 13.642 8.566 -0.350 1.00 0.31 N ATOM 1069 CA MET A 76 12.868 9.191 0.716 1.00 0.32 C ATOM 1070 C MET A 76 13.646 10.355 1.344 1.00 0.31 C ATOM 1071 O MET A 76 13.063 11.253 1.945 1.00 0.36 O ATOM 1072 CB MET A 76 12.447 8.151 1.759 1.00 0.33 C ATOM 1073 CG MET A 76 13.571 7.231 2.190 1.00 0.50 C ATOM 1074 SD MET A 76 13.067 6.023 3.433 1.00 0.65 S ATOM 1075 CE MET A 76 11.976 4.975 2.473 1.00 0.46 C ATOM 0 H MET A 76 13.938 7.608 -0.161 1.00 0.31 H new ATOM 0 HA MET A 76 11.957 9.608 0.287 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.055 8.667 2.636 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.633 7.550 1.352 1.00 0.33 H new ATOM 0 HG2 MET A 76 13.956 6.704 1.317 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.390 7.831 2.587 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.641 4.139 3.087 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.112 5.553 2.144 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.510 4.594 1.603 1.00 0.46 H new ATOM 1085 N VAL A 77 14.965 10.344 1.173 1.00 0.30 N ATOM 1086 CA VAL A 77 15.805 11.471 1.567 1.00 0.34 C ATOM 1087 C VAL A 77 15.547 12.687 0.673 1.00 0.37 C ATOM 1088 O VAL A 77 15.364 13.795 1.172 1.00 0.41 O ATOM 1089 CB VAL A 77 17.312 11.108 1.528 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.174 12.355 1.413 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.706 10.322 2.772 1.00 0.42 C ATOM 0 H VAL A 77 15.477 9.563 0.762 1.00 0.30 H new ATOM 0 HA VAL A 77 15.539 11.719 2.594 1.00 0.34 H new ATOM 0 HB VAL A 77 17.480 10.489 0.647 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.226 12.069 1.388 1.00 0.59 H new ATOM 0 HG12 VAL A 77 17.921 12.889 0.497 1.00 0.59 H new ATOM 0 HG13 VAL A 77 17.994 13.002 2.272 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.767 10.076 2.726 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.511 10.924 3.660 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.123 9.403 2.821 1.00 0.42 H new ATOM 1101 N LYS A 78 15.500 12.487 -0.647 1.00 0.39 N ATOM 1102 CA LYS A 78 15.334 13.605 -1.561 1.00 0.45 C ATOM 1103 C LYS A 78 13.924 14.167 -1.447 1.00 0.48 C ATOM 1104 O LYS A 78 13.641 15.275 -1.906 1.00 0.59 O ATOM 1105 CB LYS A 78 15.605 13.185 -2.986 1.00 0.54 C ATOM 1106 CG LYS A 78 14.525 12.314 -3.548 1.00 0.76 C ATOM 1107 CD LYS A 78 14.784 12.012 -4.983 1.00 0.84 C ATOM 1108 CE LYS A 78 15.617 10.766 -5.166 1.00 1.08 C ATOM 1109 NZ LYS A 78 16.930 10.807 -4.477 1.00 1.20 N ATOM 0 H LYS A 78 15.574 11.574 -1.095 1.00 0.39 H new ATOM 0 HA LYS A 78 16.054 14.377 -1.288 1.00 0.45 H new ATOM 0 HB2 LYS A 78 15.710 14.074 -3.608 1.00 0.54 H new ATOM 0 HB3 LYS A 78 16.555 12.652 -3.029 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.468 11.385 -2.980 1.00 0.76 H new ATOM 0 HG3 LYS A 78 13.560 12.810 -3.444 1.00 0.76 H new ATOM 0 HD2 LYS A 78 13.834 11.891 -5.503 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.294 12.858 -5.444 1.00 0.84 H new ATOM 0 HE2 LYS A 78 15.053 9.908 -4.799 1.00 1.08 H new ATOM 0 HE3 LYS A 78 15.783 10.606 -6.231 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 17.551 10.071 -4.870 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 17.367 11.740 -4.617 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.794 10.638 -3.460 1.00 1.20 H new ATOM 1123 N SER A 79 13.039 13.374 -0.841 1.00 0.44 N ATOM 1124 CA SER A 79 11.668 13.794 -0.571 1.00 0.51 C ATOM 1125 C SER A 79 11.617 14.956 0.427 1.00 0.55 C ATOM 1126 O SER A 79 10.540 15.507 0.677 1.00 0.64 O ATOM 1127 CB SER A 79 10.857 12.607 -0.039 1.00 0.53 C ATOM 1128 OG SER A 79 9.523 12.988 0.236 1.00 1.37 O ATOM 0 H SER A 79 13.253 12.428 -0.526 1.00 0.44 H new ATOM 0 HA SER A 79 11.234 14.144 -1.507 1.00 0.51 H new ATOM 0 HB2 SER A 79 10.865 11.799 -0.771 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.323 12.220 0.867 1.00 0.53 H new ATOM 0 HG SER A 79 9.495 13.941 0.462 1.00 1.37 H new ATOM 1134 N LYS A 80 12.777 15.307 0.995 1.00 0.54 N ATOM 1135 CA LYS A 80 12.895 16.455 1.894 1.00 0.61 C ATOM 1136 C LYS A 80 12.137 16.201 3.189 1.00 0.62 C ATOM 1137 O LYS A 80 11.110 16.827 3.466 1.00 0.75 O ATOM 1138 CB LYS A 80 12.383 17.728 1.214 1.00 0.70 C ATOM 1139 CG LYS A 80 13.098 18.042 -0.088 1.00 1.01 C ATOM 1140 CD LYS A 80 12.293 18.986 -0.956 1.00 1.31 C ATOM 1141 CE LYS A 80 12.966 19.198 -2.300 1.00 1.94 C ATOM 1142 NZ LYS A 80 12.095 19.947 -3.236 1.00 2.65 N ATOM 0 H LYS A 80 13.653 14.806 0.844 1.00 0.54 H new ATOM 0 HA LYS A 80 13.949 16.594 2.134 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.316 17.623 1.018 1.00 0.70 H new ATOM 0 HB3 LYS A 80 12.501 18.569 1.897 1.00 0.70 H new ATOM 0 HG2 LYS A 80 14.070 18.486 0.128 1.00 1.01 H new ATOM 0 HG3 LYS A 80 13.285 17.117 -0.633 1.00 1.01 H new ATOM 0 HD2 LYS A 80 11.292 18.582 -1.106 1.00 1.31 H new ATOM 0 HD3 LYS A 80 12.178 19.944 -0.448 1.00 1.31 H new ATOM 0 HE2 LYS A 80 13.900 19.742 -2.158 1.00 1.94 H new ATOM 0 HE3 LYS A 80 13.222 18.232 -2.735 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 12.588 20.073 -4.143 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 11.214 19.416 -3.391 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 11.871 20.879 -2.832 1.00 2.65 H new ATOM 1156 N LEU A 81 12.643 15.264 3.972 1.00 0.66 N ATOM 1157 CA LEU A 81 11.994 14.866 5.209 1.00 0.69 C ATOM 1158 C LEU A 81 12.979 14.894 6.365 1.00 0.73 C ATOM 1159 O LEU A 81 14.194 14.813 6.162 1.00 0.75 O ATOM 1160 CB LEU A 81 11.439 13.446 5.082 1.00 0.70 C ATOM 1161 CG LEU A 81 10.628 13.161 3.816 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.349 11.674 3.694 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.330 13.954 3.812 1.00 1.08 C ATOM 0 H LEU A 81 13.508 14.762 3.771 1.00 0.66 H new ATOM 0 HA LEU A 81 11.184 15.569 5.401 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.273 12.745 5.123 1.00 0.70 H new ATOM 0 HB3 LEU A 81 10.809 13.243 5.948 1.00 0.70 H new ATOM 0 HG LEU A 81 11.216 13.476 2.954 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.771 11.485 2.789 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.292 11.130 3.643 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.783 11.338 4.563 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.772 13.734 2.902 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.732 13.677 4.680 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.555 15.020 3.851 1.00 1.08 H new ATOM 1175 N PRO A 82 12.468 15.023 7.593 1.00 0.78 N ATOM 1176 CA PRO A 82 13.266 14.816 8.789 1.00 0.84 C ATOM 1177 C PRO A 82 13.549 13.332 8.993 1.00 0.75 C ATOM 1178 O PRO A 82 12.873 12.474 8.417 1.00 0.70 O ATOM 1179 CB PRO A 82 12.390 15.367 9.911 1.00 0.95 C ATOM 1180 CG PRO A 82 10.998 15.256 9.397 1.00 0.91 C ATOM 1181 CD PRO A 82 11.075 15.390 7.907 1.00 0.82 C ATOM 0 HA PRO A 82 14.240 15.304 8.742 1.00 0.84 H new ATOM 0 HB2 PRO A 82 12.519 14.795 10.830 1.00 0.95 H new ATOM 0 HB3 PRO A 82 12.646 16.402 10.140 1.00 0.95 H new ATOM 0 HG2 PRO A 82 10.558 14.299 9.677 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.365 16.035 9.823 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.365 14.730 7.409 1.00 0.82 H new ATOM 0 HD3 PRO A 82 10.846 16.406 7.584 1.00 0.82 H new ATOM 1189 N ASN A 83 14.532 13.032 9.820 1.00 0.79 N ATOM 1190 CA ASN A 83 14.977 11.652 10.030 1.00 0.72 C ATOM 1191 C ASN A 83 13.870 10.792 10.636 1.00 0.65 C ATOM 1192 O ASN A 83 13.827 9.579 10.427 1.00 0.61 O ATOM 1193 CB ASN A 83 16.215 11.611 10.930 1.00 0.82 C ATOM 1194 CG ASN A 83 17.411 12.344 10.342 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.216 12.924 11.072 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.547 12.319 9.020 1.00 1.16 N ATOM 0 H ASN A 83 15.046 13.725 10.364 1.00 0.79 H new ATOM 0 HA ASN A 83 15.233 11.243 9.053 1.00 0.72 H new ATOM 0 HB2 ASN A 83 15.968 12.050 11.896 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.488 10.572 11.113 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.337 12.790 8.580 1.00 1.16 H new ATOM 0 HD22 ASN A 83 16.861 11.829 8.446 1.00 1.16 H new ATOM 1203 N THR A 84 12.969 11.426 11.376 1.00 0.67 N ATOM 1204 CA THR A 84 11.848 10.729 11.985 1.00 0.67 C ATOM 1205 C THR A 84 10.879 10.222 10.914 1.00 0.58 C ATOM 1206 O THR A 84 10.444 9.070 10.941 1.00 0.53 O ATOM 1207 CB THR A 84 11.116 11.657 12.967 1.00 0.77 C ATOM 1208 OG1 THR A 84 10.829 12.912 12.333 1.00 1.11 O ATOM 1209 CG2 THR A 84 11.957 11.897 14.211 1.00 1.24 C ATOM 0 H THR A 84 12.995 12.427 11.568 1.00 0.67 H new ATOM 0 HA THR A 84 12.235 9.870 12.533 1.00 0.67 H new ATOM 0 HB THR A 84 10.184 11.175 13.262 1.00 0.77 H new ATOM 0 HG1 THR A 84 10.361 13.498 12.964 1.00 1.11 H new ATOM 0 HG21 THR A 84 11.419 12.557 14.892 1.00 1.24 H new ATOM 0 HG22 THR A 84 12.154 10.946 14.706 1.00 1.24 H new ATOM 0 HG23 THR A 84 12.902 12.361 13.928 1.00 1.24 H new ATOM 1217 N VAL A 85 10.565 11.090 9.957 1.00 0.59 N ATOM 1218 CA VAL A 85 9.712 10.721 8.835 1.00 0.55 C ATOM 1219 C VAL A 85 10.424 9.707 7.949 1.00 0.49 C ATOM 1220 O VAL A 85 9.820 8.732 7.526 1.00 0.45 O ATOM 1221 CB VAL A 85 9.288 11.955 8.010 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.461 11.540 6.808 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.500 12.926 8.876 1.00 0.72 C ATOM 0 H VAL A 85 10.890 12.057 9.937 1.00 0.59 H new ATOM 0 HA VAL A 85 8.805 10.270 9.238 1.00 0.55 H new ATOM 0 HB VAL A 85 10.190 12.452 7.654 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.173 12.425 6.241 1.00 0.56 H new ATOM 0 HG12 VAL A 85 9.049 10.878 6.173 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.565 11.018 7.145 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.208 13.791 8.280 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.607 12.431 9.258 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.119 13.253 9.711 1.00 0.72 H new ATOM 1233 N LEU A 86 11.708 9.941 7.696 1.00 0.50 N ATOM 1234 CA LEU A 86 12.560 8.966 7.008 1.00 0.50 C ATOM 1235 C LEU A 86 12.406 7.588 7.631 1.00 0.40 C ATOM 1236 O LEU A 86 12.084 6.608 6.953 1.00 0.38 O ATOM 1237 CB LEU A 86 14.020 9.387 7.129 1.00 0.62 C ATOM 1238 CG LEU A 86 14.699 9.878 5.851 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.902 8.734 4.881 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.894 10.987 5.195 1.00 1.34 C ATOM 0 H LEU A 86 12.188 10.802 7.958 1.00 0.50 H new ATOM 0 HA LEU A 86 12.259 8.928 5.961 1.00 0.50 H new ATOM 0 HB2 LEU A 86 14.085 10.179 7.875 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.588 8.540 7.513 1.00 0.62 H new ATOM 0 HG LEU A 86 15.674 10.281 6.125 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.387 9.105 3.978 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.530 7.972 5.343 1.00 1.45 H new ATOM 0 HD13 LEU A 86 13.936 8.300 4.623 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.401 11.317 4.288 1.00 1.34 H new ATOM 0 HD22 LEU A 86 12.901 10.615 4.941 1.00 1.34 H new ATOM 0 HD23 LEU A 86 13.801 11.826 5.885 1.00 1.34 H new ATOM 1252 N GLY A 87 12.636 7.537 8.939 1.00 0.39 N ATOM 1253 CA GLY A 87 12.579 6.294 9.670 1.00 0.39 C ATOM 1254 C GLY A 87 11.253 5.584 9.536 1.00 0.33 C ATOM 1255 O GLY A 87 11.211 4.415 9.158 1.00 0.37 O ATOM 0 H GLY A 87 12.864 8.351 9.509 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.373 5.636 9.317 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.773 6.491 10.724 1.00 0.39 H new ATOM 1259 N LYS A 88 10.160 6.276 9.825 1.00 0.34 N ATOM 1260 CA LYS A 88 8.872 5.604 9.846 1.00 0.37 C ATOM 1261 C LYS A 88 8.275 5.435 8.453 1.00 0.34 C ATOM 1262 O LYS A 88 7.378 4.618 8.275 1.00 0.41 O ATOM 1263 CB LYS A 88 7.870 6.266 10.799 1.00 0.49 C ATOM 1264 CG LYS A 88 7.547 7.718 10.504 1.00 0.65 C ATOM 1265 CD LYS A 88 6.218 8.102 11.149 1.00 0.98 C ATOM 1266 CE LYS A 88 6.098 9.592 11.430 1.00 1.52 C ATOM 1267 NZ LYS A 88 6.377 10.427 10.234 1.00 1.66 N ATOM 0 H LYS A 88 10.138 7.272 10.042 1.00 0.34 H new ATOM 0 HA LYS A 88 9.074 4.606 10.236 1.00 0.37 H new ATOM 0 HB2 LYS A 88 6.942 5.694 10.777 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.262 6.198 11.814 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.343 8.360 10.883 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.496 7.876 9.427 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.402 7.795 10.495 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.102 7.552 12.083 1.00 0.98 H new ATOM 0 HE2 LYS A 88 5.093 9.809 11.793 1.00 1.52 H new ATOM 0 HE3 LYS A 88 6.790 9.864 12.227 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 7.253 10.967 10.384 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 6.486 9.814 9.401 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 5.587 11.085 10.078 1.00 1.66 H new ATOM 1281 N ILE A 89 8.759 6.183 7.461 1.00 0.30 N ATOM 1282 CA ILE A 89 8.380 5.899 6.081 1.00 0.31 C ATOM 1283 C ILE A 89 9.021 4.592 5.660 1.00 0.26 C ATOM 1284 O ILE A 89 8.358 3.702 5.125 1.00 0.28 O ATOM 1285 CB ILE A 89 8.778 7.013 5.086 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.848 8.219 5.244 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.752 6.499 3.645 1.00 0.56 C ATOM 1288 CD1 ILE A 89 7.989 9.236 4.136 1.00 1.15 C ATOM 0 H ILE A 89 9.397 6.969 7.583 1.00 0.30 H new ATOM 0 HA ILE A 89 7.292 5.838 6.053 1.00 0.31 H new ATOM 0 HB ILE A 89 9.798 7.324 5.311 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.816 7.870 5.278 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.052 8.703 6.199 1.00 0.71 H new ATOM 0 HG21 ILE A 89 9.036 7.303 2.967 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.454 5.672 3.541 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.747 6.155 3.399 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.301 10.063 4.312 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.012 9.613 4.116 1.00 1.15 H new ATOM 0 HD13 ILE A 89 7.756 8.767 3.180 1.00 1.15 H new ATOM 1300 N TRP A 90 10.317 4.477 5.931 1.00 0.24 N ATOM 1301 CA TRP A 90 11.032 3.242 5.663 1.00 0.22 C ATOM 1302 C TRP A 90 10.340 2.052 6.313 1.00 0.23 C ATOM 1303 O TRP A 90 10.007 1.076 5.649 1.00 0.25 O ATOM 1304 CB TRP A 90 12.452 3.322 6.198 1.00 0.22 C ATOM 1305 CG TRP A 90 13.175 2.014 6.078 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.403 1.111 7.076 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.718 1.443 4.885 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.083 0.022 6.576 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.288 0.206 5.233 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.782 1.865 3.556 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.917 -0.615 4.296 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.406 1.052 2.632 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.965 -0.175 3.004 1.00 0.30 C ATOM 0 H TRP A 90 10.887 5.221 6.333 1.00 0.24 H new ATOM 0 HA TRP A 90 11.046 3.106 4.582 1.00 0.22 H new ATOM 0 HB2 TRP A 90 13.001 4.090 5.654 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.428 3.628 7.244 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.096 1.232 8.104 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.385 -0.789 7.117 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.352 2.809 3.257 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.349 -1.562 4.582 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.464 1.369 1.601 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.444 -0.787 2.254 1.00 0.30 H new ATOM 1324 N LYS A 91 10.140 2.155 7.617 1.00 0.26 N ATOM 1325 CA LYS A 91 9.613 1.060 8.419 1.00 0.30 C ATOM 1326 C LYS A 91 8.196 0.687 8.033 1.00 0.31 C ATOM 1327 O LYS A 91 7.793 -0.467 8.170 1.00 0.42 O ATOM 1328 CB LYS A 91 9.648 1.457 9.874 1.00 0.40 C ATOM 1329 CG LYS A 91 11.040 1.592 10.416 1.00 1.08 C ATOM 1330 CD LYS A 91 11.009 2.044 11.866 1.00 1.26 C ATOM 1331 CE LYS A 91 12.406 2.272 12.413 1.00 2.03 C ATOM 1332 NZ LYS A 91 12.376 2.837 13.789 1.00 2.54 N ATOM 0 H LYS A 91 10.338 3.001 8.151 1.00 0.26 H new ATOM 0 HA LYS A 91 10.238 0.186 8.238 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.123 2.404 9.998 1.00 0.40 H new ATOM 0 HB3 LYS A 91 9.107 0.714 10.460 1.00 0.40 H new ATOM 0 HG2 LYS A 91 11.560 0.637 10.338 1.00 1.08 H new ATOM 0 HG3 LYS A 91 11.601 2.310 9.818 1.00 1.08 H new ATOM 0 HD2 LYS A 91 10.431 2.965 11.948 1.00 1.26 H new ATOM 0 HD3 LYS A 91 10.500 1.293 12.470 1.00 1.26 H new ATOM 0 HE2 LYS A 91 12.952 1.329 12.419 1.00 2.03 H new ATOM 0 HE3 LYS A 91 12.948 2.950 11.754 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 13.349 2.978 14.128 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.877 3.749 13.779 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 11.881 2.179 14.424 1.00 2.54 H new ATOM 1346 N LEU A 92 7.440 1.662 7.563 1.00 0.27 N ATOM 1347 CA LEU A 92 6.062 1.421 7.179 1.00 0.33 C ATOM 1348 C LEU A 92 6.014 0.884 5.757 1.00 0.34 C ATOM 1349 O LEU A 92 4.982 0.387 5.305 1.00 0.47 O ATOM 1350 CB LEU A 92 5.232 2.706 7.292 1.00 0.37 C ATOM 1351 CG LEU A 92 3.791 2.516 7.767 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.773 2.163 9.243 1.00 0.86 C ATOM 1353 CD2 LEU A 92 2.970 3.773 7.505 1.00 0.61 C ATOM 0 H LEU A 92 7.755 2.624 7.438 1.00 0.27 H new ATOM 0 HA LEU A 92 5.634 0.682 7.856 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.737 3.385 7.979 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.214 3.194 6.317 1.00 0.37 H new ATOM 0 HG LEU A 92 3.343 1.696 7.206 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.743 2.030 9.573 1.00 0.86 H new ATOM 0 HD12 LEU A 92 4.328 1.238 9.403 1.00 0.86 H new ATOM 0 HD13 LEU A 92 4.236 2.967 9.815 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.948 3.618 7.850 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.410 4.614 8.041 1.00 0.61 H new ATOM 0 HD23 LEU A 92 2.964 3.987 6.436 1.00 0.61 H new ATOM 1365 N ALA A 93 7.137 0.985 5.050 1.00 0.30 N ATOM 1366 CA ALA A 93 7.207 0.496 3.680 1.00 0.37 C ATOM 1367 C ALA A 93 7.912 -0.853 3.607 1.00 0.37 C ATOM 1368 O ALA A 93 7.479 -1.750 2.886 1.00 0.45 O ATOM 1369 CB ALA A 93 7.901 1.510 2.792 1.00 0.43 C ATOM 0 H ALA A 93 8.002 1.397 5.401 1.00 0.30 H new ATOM 0 HA ALA A 93 6.187 0.356 3.321 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.945 1.130 1.771 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.345 2.447 2.806 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.913 1.683 3.159 1.00 0.43 H new ATOM 1375 N ASP A 94 9.007 -0.983 4.345 1.00 0.32 N ATOM 1376 CA ASP A 94 9.744 -2.236 4.413 1.00 0.38 C ATOM 1377 C ASP A 94 9.054 -3.171 5.385 1.00 0.45 C ATOM 1378 O ASP A 94 9.239 -3.075 6.596 1.00 0.49 O ATOM 1379 CB ASP A 94 11.195 -1.992 4.851 1.00 0.35 C ATOM 1380 CG ASP A 94 12.086 -3.219 4.707 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.642 -4.239 4.127 1.00 0.61 O ATOM 1382 OD2 ASP A 94 13.245 -3.170 5.161 1.00 0.62 O ATOM 0 H ASP A 94 9.405 -0.231 4.907 1.00 0.32 H new ATOM 0 HA ASP A 94 9.763 -2.689 3.422 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.613 -1.177 4.259 1.00 0.35 H new ATOM 0 HB3 ASP A 94 11.203 -1.667 5.891 1.00 0.35 H new ATOM 1387 N VAL A 95 8.253 -4.067 4.850 1.00 0.64 N ATOM 1388 CA VAL A 95 7.441 -4.937 5.669 1.00 0.79 C ATOM 1389 C VAL A 95 8.308 -5.974 6.356 1.00 0.74 C ATOM 1390 O VAL A 95 7.996 -6.441 7.455 1.00 0.88 O ATOM 1391 CB VAL A 95 6.336 -5.630 4.846 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.431 -6.469 5.740 1.00 1.76 C ATOM 1393 CG2 VAL A 95 5.524 -4.601 4.078 1.00 1.57 C ATOM 0 H VAL A 95 8.147 -4.211 3.846 1.00 0.64 H new ATOM 0 HA VAL A 95 6.955 -4.318 6.423 1.00 0.79 H new ATOM 0 HB VAL A 95 6.815 -6.300 4.131 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.661 -6.946 5.133 1.00 1.76 H new ATOM 0 HG12 VAL A 95 6.023 -7.234 6.242 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.960 -5.828 6.485 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.748 -5.106 3.502 1.00 1.57 H new ATOM 0 HG22 VAL A 95 5.061 -3.906 4.779 1.00 1.57 H new ATOM 0 HG23 VAL A 95 6.179 -4.052 3.401 1.00 1.57 H new ATOM 1403 N ASP A 96 9.415 -6.317 5.719 1.00 0.68 N ATOM 1404 CA ASP A 96 10.357 -7.240 6.323 1.00 0.73 C ATOM 1405 C ASP A 96 11.206 -6.505 7.345 1.00 0.60 C ATOM 1406 O ASP A 96 11.711 -7.108 8.296 1.00 0.68 O ATOM 1407 CB ASP A 96 11.328 -7.813 5.297 1.00 0.94 C ATOM 1408 CG ASP A 96 10.826 -7.817 3.871 1.00 1.04 C ATOM 1409 OD1 ASP A 96 9.915 -8.609 3.543 1.00 1.70 O ATOM 1410 OD2 ASP A 96 11.359 -7.014 3.065 1.00 1.40 O ATOM 0 H ASP A 96 9.680 -5.975 4.795 1.00 0.68 H new ATOM 0 HA ASP A 96 9.769 -8.041 6.771 1.00 0.73 H new ATOM 0 HB2 ASP A 96 12.255 -7.241 5.338 1.00 0.94 H new ATOM 0 HB3 ASP A 96 11.572 -8.836 5.583 1.00 0.94 H new ATOM 1415 N LYS A 97 11.359 -5.195 7.127 1.00 0.48 N ATOM 1416 CA LYS A 97 12.253 -4.364 7.935 1.00 0.46 C ATOM 1417 C LYS A 97 13.658 -4.951 7.885 1.00 0.46 C ATOM 1418 O LYS A 97 14.372 -5.024 8.890 1.00 0.70 O ATOM 1419 CB LYS A 97 11.732 -4.259 9.365 1.00 0.59 C ATOM 1420 CG LYS A 97 10.341 -3.659 9.412 1.00 0.67 C ATOM 1421 CD LYS A 97 9.805 -3.545 10.832 1.00 0.82 C ATOM 1422 CE LYS A 97 8.418 -2.921 10.844 1.00 1.34 C ATOM 1423 NZ LYS A 97 7.785 -2.999 12.188 1.00 1.74 N ATOM 0 H LYS A 97 10.870 -4.685 6.391 1.00 0.48 H new ATOM 0 HA LYS A 97 12.287 -3.352 7.531 1.00 0.46 H new ATOM 0 HB2 LYS A 97 11.717 -5.249 9.820 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.413 -3.647 9.956 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.359 -2.670 8.953 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.663 -4.273 8.819 1.00 0.67 H new ATOM 0 HD2 LYS A 97 9.767 -4.533 11.290 1.00 0.82 H new ATOM 0 HD3 LYS A 97 10.484 -2.941 11.433 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.487 -1.878 10.535 1.00 1.34 H new ATOM 0 HE3 LYS A 97 7.786 -3.428 10.115 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 6.842 -2.563 12.153 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 7.696 -3.995 12.472 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 8.375 -2.493 12.879 1.00 1.74 H new ATOM 1437 N ASP A 98 14.051 -5.315 6.674 1.00 0.35 N ATOM 1438 CA ASP A 98 15.223 -6.139 6.445 1.00 0.43 C ATOM 1439 C ASP A 98 16.369 -5.349 5.822 1.00 0.39 C ATOM 1440 O ASP A 98 17.444 -5.899 5.572 1.00 0.63 O ATOM 1441 CB ASP A 98 14.846 -7.337 5.561 1.00 0.69 C ATOM 1442 CG ASP A 98 14.428 -6.967 4.139 1.00 0.72 C ATOM 1443 OD1 ASP A 98 13.625 -6.009 3.937 1.00 1.35 O ATOM 1444 OD2 ASP A 98 14.866 -7.669 3.217 1.00 1.51 O ATOM 0 H ASP A 98 13.562 -5.045 5.820 1.00 0.35 H new ATOM 0 HA ASP A 98 15.576 -6.497 7.412 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.696 -8.018 5.511 1.00 0.69 H new ATOM 0 HB3 ASP A 98 14.030 -7.881 6.036 1.00 0.69 H new ATOM 1449 N GLY A 99 16.149 -4.065 5.579 1.00 0.29 N ATOM 1450 CA GLY A 99 17.221 -3.219 5.078 1.00 0.29 C ATOM 1451 C GLY A 99 17.233 -3.133 3.569 1.00 0.24 C ATOM 1452 O GLY A 99 18.186 -2.625 2.975 1.00 0.27 O ATOM 0 H GLY A 99 15.255 -3.593 5.717 1.00 0.29 H new ATOM 0 HA2 GLY A 99 17.114 -2.218 5.495 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.179 -3.608 5.424 1.00 0.29 H new ATOM 1456 N LEU A 100 16.181 -3.640 2.946 1.00 0.23 N ATOM 1457 CA LEU A 100 16.021 -3.536 1.508 1.00 0.21 C ATOM 1458 C LEU A 100 14.553 -3.564 1.141 1.00 0.24 C ATOM 1459 O LEU A 100 13.713 -4.087 1.889 1.00 0.38 O ATOM 1460 CB LEU A 100 16.798 -4.642 0.780 1.00 0.27 C ATOM 1461 CG LEU A 100 16.483 -6.082 1.183 1.00 0.39 C ATOM 1462 CD1 LEU A 100 15.195 -6.562 0.531 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.645 -6.985 0.818 1.00 0.54 C ATOM 0 H LEU A 100 15.422 -4.130 3.419 1.00 0.23 H new ATOM 0 HA LEU A 100 16.437 -2.582 1.185 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.613 -4.540 -0.289 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.863 -4.470 0.938 1.00 0.27 H new ATOM 0 HG LEU A 100 16.337 -6.118 2.263 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.994 -7.589 0.835 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.369 -5.923 0.844 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.298 -6.518 -0.553 1.00 0.41 H new ATOM 0 HD21 LEU A 100 17.414 -8.010 1.108 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.815 -6.942 -0.258 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.542 -6.653 1.341 1.00 0.54 H new ATOM 1475 N LEU A 101 14.255 -3.004 -0.010 1.00 0.20 N ATOM 1476 CA LEU A 101 12.897 -2.921 -0.495 1.00 0.20 C ATOM 1477 C LEU A 101 12.798 -3.610 -1.838 1.00 0.17 C ATOM 1478 O LEU A 101 13.473 -3.219 -2.781 1.00 0.18 O ATOM 1479 CB LEU A 101 12.478 -1.455 -0.649 1.00 0.24 C ATOM 1480 CG LEU A 101 12.312 -0.667 0.646 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.860 0.745 0.340 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.315 -1.337 1.554 1.00 0.58 C ATOM 0 H LEU A 101 14.948 -2.593 -0.636 1.00 0.20 H new ATOM 0 HA LEU A 101 12.236 -3.408 0.222 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.220 -0.949 -1.266 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.535 -1.423 -1.194 1.00 0.24 H new ATOM 0 HG LEU A 101 13.276 -0.634 1.153 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.744 1.300 1.271 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.604 1.238 -0.286 1.00 0.68 H new ATOM 0 HD13 LEU A 101 10.906 0.716 -0.186 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.212 -0.758 2.472 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.349 -1.397 1.053 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.661 -2.342 1.796 1.00 0.58 H new ATOM 1494 N ASP A 102 11.984 -4.643 -1.932 1.00 0.16 N ATOM 1495 CA ASP A 102 11.754 -5.287 -3.218 1.00 0.17 C ATOM 1496 C ASP A 102 10.918 -4.363 -4.111 1.00 0.16 C ATOM 1497 O ASP A 102 10.591 -3.254 -3.708 1.00 0.16 O ATOM 1498 CB ASP A 102 11.091 -6.662 -3.037 1.00 0.25 C ATOM 1499 CG ASP A 102 9.805 -6.606 -2.238 1.00 0.77 C ATOM 1500 OD1 ASP A 102 8.817 -6.058 -2.747 1.00 1.40 O ATOM 1501 OD2 ASP A 102 9.790 -7.117 -1.090 1.00 1.50 O ATOM 0 H ASP A 102 11.476 -5.052 -1.148 1.00 0.16 H new ATOM 0 HA ASP A 102 12.712 -5.463 -3.707 1.00 0.17 H new ATOM 0 HB2 ASP A 102 10.883 -7.089 -4.018 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.791 -7.333 -2.539 1.00 0.25 H new ATOM 1506 N ASP A 103 10.586 -4.813 -5.317 1.00 0.18 N ATOM 1507 CA ASP A 103 9.820 -3.994 -6.271 1.00 0.19 C ATOM 1508 C ASP A 103 8.488 -3.544 -5.665 1.00 0.16 C ATOM 1509 O ASP A 103 8.042 -2.407 -5.858 1.00 0.17 O ATOM 1510 CB ASP A 103 9.597 -4.811 -7.556 1.00 0.28 C ATOM 1511 CG ASP A 103 8.285 -4.503 -8.242 1.00 0.97 C ATOM 1512 OD1 ASP A 103 8.062 -3.323 -8.598 1.00 1.65 O ATOM 1513 OD2 ASP A 103 7.475 -5.430 -8.446 1.00 1.73 O ATOM 0 H ASP A 103 10.832 -5.740 -5.664 1.00 0.18 H new ATOM 0 HA ASP A 103 10.383 -3.091 -6.509 1.00 0.19 H new ATOM 0 HB2 ASP A 103 10.416 -4.616 -8.249 1.00 0.28 H new ATOM 0 HB3 ASP A 103 9.631 -5.873 -7.313 1.00 0.28 H new ATOM 1518 N GLU A 104 7.912 -4.401 -4.848 1.00 0.18 N ATOM 1519 CA GLU A 104 6.618 -4.137 -4.255 1.00 0.23 C ATOM 1520 C GLU A 104 6.798 -3.278 -3.004 1.00 0.19 C ATOM 1521 O GLU A 104 5.956 -2.435 -2.671 1.00 0.22 O ATOM 1522 CB GLU A 104 5.949 -5.467 -3.933 1.00 0.33 C ATOM 1523 CG GLU A 104 4.447 -5.388 -3.790 1.00 0.65 C ATOM 1524 CD GLU A 104 3.837 -6.764 -3.678 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.786 -7.303 -2.558 1.00 2.14 O ATOM 1526 OE2 GLU A 104 3.430 -7.326 -4.713 1.00 1.68 O ATOM 0 H GLU A 104 8.324 -5.294 -4.578 1.00 0.18 H new ATOM 0 HA GLU A 104 5.980 -3.587 -4.947 1.00 0.23 H new ATOM 0 HB2 GLU A 104 6.190 -6.182 -4.720 1.00 0.33 H new ATOM 0 HB3 GLU A 104 6.371 -5.858 -3.007 1.00 0.33 H new ATOM 0 HG2 GLU A 104 4.193 -4.802 -2.907 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.024 -4.868 -4.650 1.00 0.65 H new ATOM 1533 N GLU A 105 7.922 -3.472 -2.335 1.00 0.18 N ATOM 1534 CA GLU A 105 8.266 -2.684 -1.166 1.00 0.17 C ATOM 1535 C GLU A 105 8.671 -1.261 -1.553 1.00 0.17 C ATOM 1536 O GLU A 105 8.455 -0.319 -0.788 1.00 0.22 O ATOM 1537 CB GLU A 105 9.364 -3.376 -0.361 1.00 0.19 C ATOM 1538 CG GLU A 105 8.852 -3.859 0.987 1.00 0.26 C ATOM 1539 CD GLU A 105 9.806 -4.742 1.773 1.00 0.40 C ATOM 1540 OE1 GLU A 105 11.009 -4.708 1.459 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.379 -5.507 2.677 1.00 1.11 O ATOM 0 H GLU A 105 8.617 -4.175 -2.585 1.00 0.18 H new ATOM 0 HA GLU A 105 7.380 -2.606 -0.536 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.752 -4.222 -0.928 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.194 -2.686 -0.209 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.606 -2.989 1.595 1.00 0.26 H new ATOM 0 HG3 GLU A 105 7.924 -4.409 0.828 1.00 0.26 H new ATOM 1548 N PHE A 106 9.246 -1.100 -2.743 1.00 0.16 N ATOM 1549 CA PHE A 106 9.500 0.230 -3.285 1.00 0.16 C ATOM 1550 C PHE A 106 8.158 0.868 -3.619 1.00 0.16 C ATOM 1551 O PHE A 106 7.914 2.030 -3.291 1.00 0.18 O ATOM 1552 CB PHE A 106 10.408 0.155 -4.534 1.00 0.19 C ATOM 1553 CG PHE A 106 10.846 1.496 -5.112 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.106 2.656 -4.926 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.020 1.592 -5.843 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.523 3.863 -5.450 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.441 2.797 -6.361 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.694 3.933 -6.162 1.00 0.28 C ATOM 0 H PHE A 106 9.542 -1.868 -3.345 1.00 0.16 H new ATOM 0 HA PHE A 106 10.026 0.838 -2.549 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.299 -0.419 -4.279 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.882 -0.401 -5.310 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.187 2.613 -4.361 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.615 0.706 -6.009 1.00 1.04 H new ATOM 0 HE1 PHE A 106 9.928 4.752 -5.300 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.361 2.849 -6.925 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.027 4.878 -6.565 1.00 0.28 H new ATOM 1568 N ALA A 107 7.285 0.084 -4.240 1.00 0.16 N ATOM 1569 CA ALA A 107 5.937 0.533 -4.550 1.00 0.16 C ATOM 1570 C ALA A 107 5.297 1.190 -3.333 1.00 0.16 C ATOM 1571 O ALA A 107 4.733 2.280 -3.425 1.00 0.18 O ATOM 1572 CB ALA A 107 5.096 -0.637 -5.026 1.00 0.19 C ATOM 0 H ALA A 107 7.490 -0.869 -4.539 1.00 0.16 H new ATOM 0 HA ALA A 107 5.991 1.274 -5.348 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.088 -0.291 -5.256 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.545 -1.067 -5.921 1.00 0.19 H new ATOM 0 HB3 ALA A 107 5.050 -1.394 -4.243 1.00 0.19 H new ATOM 1578 N LEU A 108 5.420 0.537 -2.184 1.00 0.18 N ATOM 1579 CA LEU A 108 4.876 1.080 -0.949 1.00 0.22 C ATOM 1580 C LEU A 108 5.673 2.304 -0.509 1.00 0.19 C ATOM 1581 O LEU A 108 5.093 3.329 -0.163 1.00 0.20 O ATOM 1582 CB LEU A 108 4.887 0.032 0.160 1.00 0.34 C ATOM 1583 CG LEU A 108 3.734 0.126 1.163 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.891 -0.914 2.236 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.626 1.499 1.787 1.00 1.23 C ATOM 0 H LEU A 108 5.889 -0.363 -2.083 1.00 0.18 H new ATOM 0 HA LEU A 108 3.844 1.374 -1.139 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.868 -0.957 -0.298 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.828 0.114 0.705 1.00 0.34 H new ATOM 0 HG LEU A 108 2.812 -0.055 0.610 1.00 0.52 H new ATOM 0 HD11 LEU A 108 3.064 -0.836 2.942 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.890 -1.906 1.784 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.833 -0.756 2.761 1.00 1.22 H new ATOM 0 HD21 LEU A 108 2.794 1.514 2.491 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.551 1.733 2.314 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.455 2.241 1.007 1.00 1.23 H new ATOM 1597 N ALA A 109 6.997 2.192 -0.532 1.00 0.19 N ATOM 1598 CA ALA A 109 7.875 3.281 -0.107 1.00 0.19 C ATOM 1599 C ALA A 109 7.497 4.599 -0.777 1.00 0.19 C ATOM 1600 O ALA A 109 7.229 5.601 -0.107 1.00 0.20 O ATOM 1601 CB ALA A 109 9.326 2.937 -0.411 1.00 0.22 C ATOM 0 H ALA A 109 7.489 1.354 -0.842 1.00 0.19 H new ATOM 0 HA ALA A 109 7.753 3.405 0.969 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.969 3.756 -0.090 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.604 2.027 0.122 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.446 2.781 -1.483 1.00 0.22 H new ATOM 1607 N ASN A 110 7.427 4.578 -2.101 1.00 0.19 N ATOM 1608 CA ASN A 110 7.140 5.771 -2.869 1.00 0.19 C ATOM 1609 C ASN A 110 5.667 6.145 -2.693 1.00 0.20 C ATOM 1610 O ASN A 110 5.297 7.318 -2.802 1.00 0.23 O ATOM 1611 CB ASN A 110 7.475 5.555 -4.348 1.00 0.21 C ATOM 1612 CG ASN A 110 7.806 6.853 -5.082 1.00 0.29 C ATOM 1613 OD1 ASN A 110 8.633 6.861 -5.995 1.00 1.18 O ATOM 1614 ND2 ASN A 110 7.161 7.951 -4.708 1.00 1.11 N ATOM 0 H ASN A 110 7.567 3.739 -2.664 1.00 0.19 H new ATOM 0 HA ASN A 110 7.760 6.590 -2.505 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.322 4.874 -4.427 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.630 5.072 -4.839 1.00 0.21 H new ATOM 0 HD21 ASN A 110 7.344 8.836 -5.181 1.00 1.11 H new ATOM 0 HD22 ASN A 110 6.482 7.910 -3.948 1.00 1.11 H new ATOM 1621 N HIS A 111 4.825 5.149 -2.378 1.00 0.23 N ATOM 1622 CA HIS A 111 3.406 5.406 -2.175 1.00 0.25 C ATOM 1623 C HIS A 111 3.208 6.191 -0.881 1.00 0.24 C ATOM 1624 O HIS A 111 2.394 7.099 -0.822 1.00 0.26 O ATOM 1625 CB HIS A 111 2.604 4.097 -2.131 1.00 0.30 C ATOM 1626 CG HIS A 111 1.114 4.291 -2.229 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.452 4.524 -3.415 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.157 4.288 -1.271 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.837 4.657 -3.181 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -1.048 4.522 -1.885 1.00 0.47 N ATOM 0 H HIS A 111 5.104 4.175 -2.261 1.00 0.23 H new ATOM 0 HA HIS A 111 3.038 5.993 -3.016 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.931 3.454 -2.948 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.832 3.574 -1.203 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.893 4.584 -4.333 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.314 4.130 -0.214 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.596 4.845 -3.926 1.00 0.49 H new ATOM 1639 N LEU A 112 3.970 5.839 0.146 1.00 0.25 N ATOM 1640 CA LEU A 112 3.911 6.545 1.423 1.00 0.28 C ATOM 1641 C LEU A 112 4.473 7.947 1.284 1.00 0.25 C ATOM 1642 O LEU A 112 3.985 8.889 1.913 1.00 0.27 O ATOM 1643 CB LEU A 112 4.681 5.787 2.496 1.00 0.35 C ATOM 1644 CG LEU A 112 4.000 4.526 3.017 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.866 3.870 4.070 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.623 4.849 3.580 1.00 0.54 C ATOM 0 H LEU A 112 4.638 5.068 0.122 1.00 0.25 H new ATOM 0 HA LEU A 112 2.865 6.610 1.721 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.657 5.514 2.095 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.858 6.459 3.336 1.00 0.35 H new ATOM 0 HG LEU A 112 3.869 3.832 2.187 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.373 2.970 4.437 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.829 3.604 3.635 1.00 0.55 H new ATOM 0 HD13 LEU A 112 5.020 4.563 4.897 1.00 0.55 H new ATOM 0 HD21 LEU A 112 2.156 3.935 3.946 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.723 5.559 4.401 1.00 0.54 H new ATOM 0 HD23 LEU A 112 2.003 5.285 2.797 1.00 0.54 H new ATOM 1658 N ILE A 113 5.509 8.078 0.467 1.00 0.26 N ATOM 1659 CA ILE A 113 6.082 9.380 0.170 1.00 0.26 C ATOM 1660 C ILE A 113 5.023 10.310 -0.413 1.00 0.26 C ATOM 1661 O ILE A 113 4.856 11.442 0.050 1.00 0.32 O ATOM 1662 CB ILE A 113 7.278 9.256 -0.797 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.425 8.521 -0.100 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.735 10.625 -1.281 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.583 8.181 -1.014 1.00 0.81 C ATOM 0 H ILE A 113 5.969 7.297 -0.001 1.00 0.26 H new ATOM 0 HA ILE A 113 6.446 9.806 1.105 1.00 0.26 H new ATOM 0 HB ILE A 113 6.964 8.685 -1.671 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.792 9.137 0.721 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.040 7.601 0.339 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.579 10.508 -1.961 1.00 0.33 H new ATOM 0 HG22 ILE A 113 6.915 11.119 -1.802 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.039 11.230 -0.427 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.355 7.662 -0.446 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.233 7.538 -1.821 1.00 0.81 H new ATOM 0 HD13 ILE A 113 9.997 9.098 -1.434 1.00 0.81 H new ATOM 1677 N LYS A 114 4.285 9.828 -1.407 1.00 0.25 N ATOM 1678 CA LYS A 114 3.227 10.645 -1.998 1.00 0.31 C ATOM 1679 C LYS A 114 2.063 10.810 -1.014 1.00 0.32 C ATOM 1680 O LYS A 114 1.365 11.821 -1.039 1.00 0.41 O ATOM 1681 CB LYS A 114 2.735 10.068 -3.334 1.00 0.45 C ATOM 1682 CG LYS A 114 1.872 8.823 -3.201 1.00 0.86 C ATOM 1683 CD LYS A 114 1.365 8.346 -4.552 1.00 1.30 C ATOM 1684 CE LYS A 114 0.562 9.422 -5.265 1.00 1.59 C ATOM 1685 NZ LYS A 114 0.136 8.988 -6.621 1.00 2.22 N ATOM 0 H LYS A 114 4.393 8.899 -1.814 1.00 0.25 H new ATOM 0 HA LYS A 114 3.650 11.628 -2.208 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.166 10.835 -3.860 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.600 9.831 -3.954 1.00 0.45 H new ATOM 0 HG2 LYS A 114 2.449 8.029 -2.727 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.025 9.035 -2.548 1.00 0.86 H new ATOM 0 HD2 LYS A 114 2.210 8.051 -5.174 1.00 1.30 H new ATOM 0 HD3 LYS A 114 0.745 7.460 -4.416 1.00 1.30 H new ATOM 0 HE2 LYS A 114 -0.317 9.673 -4.671 1.00 1.59 H new ATOM 0 HE3 LYS A 114 1.161 10.329 -5.346 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -0.409 9.749 -7.074 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 0.975 8.773 -7.196 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 -0.457 8.137 -6.543 1.00 2.22 H new ATOM 1699 N VAL A 115 1.877 9.826 -0.138 1.00 0.30 N ATOM 1700 CA VAL A 115 0.855 9.901 0.906 1.00 0.35 C ATOM 1701 C VAL A 115 1.126 11.065 1.853 1.00 0.35 C ATOM 1702 O VAL A 115 0.219 11.832 2.175 1.00 0.42 O ATOM 1703 CB VAL A 115 0.760 8.571 1.696 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.114 8.774 3.054 1.00 0.49 C ATOM 1705 CG2 VAL A 115 -0.020 7.536 0.897 1.00 0.47 C ATOM 0 H VAL A 115 2.422 8.964 -0.129 1.00 0.30 H new ATOM 0 HA VAL A 115 -0.103 10.073 0.416 1.00 0.35 H new ATOM 0 HB VAL A 115 1.776 8.209 1.858 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.064 7.820 3.579 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.707 9.479 3.637 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.893 9.169 2.922 1.00 0.49 H new ATOM 0 HG21 VAL A 115 -0.079 6.607 1.464 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -1.026 7.908 0.705 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.486 7.351 -0.051 1.00 0.47 H new ATOM 1715 N LYS A 116 2.373 11.233 2.286 1.00 0.35 N ATOM 1716 CA LYS A 116 2.687 12.346 3.151 1.00 0.45 C ATOM 1717 C LYS A 116 2.950 13.607 2.338 1.00 0.48 C ATOM 1718 O LYS A 116 3.208 14.675 2.893 1.00 0.63 O ATOM 1719 CB LYS A 116 3.859 12.027 4.054 1.00 0.59 C ATOM 1720 CG LYS A 116 5.152 11.833 3.321 1.00 0.77 C ATOM 1721 CD LYS A 116 6.294 12.240 4.205 1.00 0.79 C ATOM 1722 CE LYS A 116 6.158 13.690 4.632 1.00 1.68 C ATOM 1723 NZ LYS A 116 6.071 14.623 3.471 1.00 1.91 N ATOM 0 H LYS A 116 3.159 10.625 2.055 1.00 0.35 H new ATOM 0 HA LYS A 116 1.821 12.528 3.787 1.00 0.45 H new ATOM 0 HB2 LYS A 116 3.979 12.834 4.777 1.00 0.59 H new ATOM 0 HB3 LYS A 116 3.634 11.123 4.620 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.261 10.790 3.025 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.157 12.426 2.407 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.324 11.599 5.086 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.237 12.099 3.676 1.00 0.79 H new ATOM 0 HE2 LYS A 116 5.267 13.801 5.250 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.012 13.964 5.251 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 6.508 15.533 3.723 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.572 14.212 2.657 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 5.073 14.775 3.222 1.00 1.91 H new ATOM 1737 N LEU A 117 2.902 13.477 1.021 1.00 0.43 N ATOM 1738 CA LEU A 117 2.934 14.632 0.137 1.00 0.53 C ATOM 1739 C LEU A 117 1.524 15.207 -0.001 1.00 0.60 C ATOM 1740 O LEU A 117 1.353 16.381 -0.321 1.00 0.73 O ATOM 1741 CB LEU A 117 3.480 14.244 -1.238 1.00 0.54 C ATOM 1742 CG LEU A 117 3.628 15.399 -2.228 1.00 0.68 C ATOM 1743 CD1 LEU A 117 4.698 16.372 -1.757 1.00 1.28 C ATOM 1744 CD2 LEU A 117 3.958 14.867 -3.610 1.00 1.17 C ATOM 0 H LEU A 117 2.841 12.580 0.540 1.00 0.43 H new ATOM 0 HA LEU A 117 3.594 15.386 0.566 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.454 13.773 -1.105 1.00 0.54 H new ATOM 0 HB3 LEU A 117 2.821 13.494 -1.675 1.00 0.54 H new ATOM 0 HG LEU A 117 2.681 15.935 -2.281 1.00 0.68 H new ATOM 0 HD11 LEU A 117 4.789 17.188 -2.474 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.420 16.775 -0.783 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.652 15.852 -1.676 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.061 15.700 -4.306 1.00 1.17 H new ATOM 0 HD22 LEU A 117 4.894 14.309 -3.571 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.157 14.209 -3.947 1.00 1.17 H new ATOM 1756 N GLU A 118 0.521 14.364 0.252 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.879 14.786 0.208 1.00 0.70 C ATOM 1758 C GLU A 118 -1.193 15.787 1.317 1.00 0.79 C ATOM 1759 O GLU A 118 -2.246 16.431 1.307 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.809 13.575 0.324 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.712 12.603 -0.842 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.675 11.438 -0.706 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -3.905 11.657 -0.760 1.00 1.99 O ATOM 1764 OE2 GLU A 118 -2.205 10.291 -0.556 1.00 1.78 O ATOM 0 H GLU A 118 0.654 13.381 0.490 1.00 0.57 H new ATOM 0 HA GLU A 118 -1.045 15.275 -0.752 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.581 13.042 1.247 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.837 13.927 0.405 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.917 13.134 -1.772 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.693 12.222 -0.910 1.00 0.78 H new ATOM 1771 N GLY A 119 -0.298 15.897 2.288 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.451 16.897 3.321 1.00 0.86 C ATOM 1773 C GLY A 119 -0.716 16.294 4.675 1.00 0.87 C ATOM 1774 O GLY A 119 -1.013 17.009 5.631 1.00 1.01 O ATOM 0 H GLY A 119 0.532 15.310 2.378 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.452 17.506 3.369 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -1.272 17.564 3.057 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.608 14.979 4.772 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.794 14.313 6.045 1.00 0.84 C ATOM 1780 C HIS A 120 0.335 13.317 6.281 1.00 0.81 C ATOM 1781 O HIS A 120 0.785 12.641 5.357 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.170 13.622 6.109 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.190 12.207 5.620 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.243 11.132 6.477 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.194 11.690 4.365 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.266 10.017 5.779 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.242 10.326 4.490 1.00 0.87 N ATOM 0 H HIS A 120 -0.394 14.359 3.991 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.767 15.060 6.838 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.521 13.639 7.141 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.880 14.204 5.521 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.262 11.190 7.495 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.165 12.249 3.441 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.299 9.018 6.188 1.00 0.83 H new ATOM 1796 N GLU A 121 0.796 13.254 7.509 1.00 0.93 N ATOM 1797 CA GLU A 121 1.864 12.337 7.885 1.00 1.01 C ATOM 1798 C GLU A 121 1.334 10.910 8.030 1.00 0.79 C ATOM 1799 O GLU A 121 0.126 10.688 8.090 1.00 0.71 O ATOM 1800 CB GLU A 121 2.520 12.781 9.190 1.00 1.31 C ATOM 1801 CG GLU A 121 1.602 12.676 10.390 1.00 1.55 C ATOM 1802 CD GLU A 121 2.334 12.890 11.697 1.00 2.15 C ATOM 1803 OE1 GLU A 121 3.390 12.254 11.899 1.00 2.75 O ATOM 1804 OE2 GLU A 121 1.857 13.698 12.522 1.00 2.52 O ATOM 0 H GLU A 121 0.449 13.830 8.276 1.00 0.93 H new ATOM 0 HA GLU A 121 2.610 12.352 7.091 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.408 12.174 9.367 1.00 1.31 H new ATOM 0 HB3 GLU A 121 2.855 13.813 9.087 1.00 1.31 H new ATOM 0 HG2 GLU A 121 0.804 13.413 10.299 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.130 11.694 10.398 1.00 1.55 H new ATOM 1811 N LEU A 122 2.246 9.948 8.063 1.00 0.92 N ATOM 1812 CA LEU A 122 1.876 8.546 8.213 1.00 0.87 C ATOM 1813 C LEU A 122 1.368 8.281 9.628 1.00 0.82 C ATOM 1814 O LEU A 122 1.909 8.821 10.595 1.00 0.95 O ATOM 1815 CB LEU A 122 3.070 7.638 7.928 1.00 1.18 C ATOM 1816 CG LEU A 122 3.826 7.937 6.638 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.907 6.896 6.408 1.00 2.45 C ATOM 1818 CD2 LEU A 122 2.875 7.994 5.457 1.00 2.70 C ATOM 0 H LEU A 122 3.250 10.113 7.988 1.00 0.92 H new ATOM 0 HA LEU A 122 1.085 8.328 7.496 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.767 7.710 8.763 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.720 6.606 7.893 1.00 1.18 H new ATOM 0 HG LEU A 122 4.301 8.913 6.735 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.439 7.122 5.484 1.00 2.45 H new ATOM 0 HD12 LEU A 122 5.608 6.909 7.242 1.00 2.45 H new ATOM 0 HD13 LEU A 122 4.451 5.909 6.333 1.00 2.45 H new ATOM 0 HD21 LEU A 122 3.437 8.209 4.548 1.00 2.70 H new ATOM 0 HD22 LEU A 122 2.367 7.035 5.352 1.00 2.70 H new ATOM 0 HD23 LEU A 122 2.137 8.779 5.622 1.00 2.70 H new ATOM 1830 N PRO A 123 0.339 7.431 9.773 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.273 7.136 11.064 1.00 0.88 C ATOM 1832 C PRO A 123 0.340 5.924 11.753 1.00 0.92 C ATOM 1833 O PRO A 123 -0.215 5.405 12.724 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.725 6.858 10.677 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.666 6.305 9.284 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.330 6.699 8.688 1.00 0.79 C ATOM 0 HA PRO A 123 -0.139 7.946 11.781 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -2.185 6.147 11.363 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.323 7.769 10.713 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.773 5.220 9.298 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.485 6.698 8.681 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.245 5.825 8.382 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.456 7.323 7.803 1.00 0.79 H new ATOM 1844 N ALA A 124 1.485 5.482 11.236 1.00 0.89 N ATOM 1845 CA ALA A 124 2.194 4.316 11.765 1.00 1.09 C ATOM 1846 C ALA A 124 1.325 3.060 11.691 1.00 1.10 C ATOM 1847 O ALA A 124 1.560 2.080 12.396 1.00 1.27 O ATOM 1848 CB ALA A 124 2.661 4.574 13.193 1.00 1.34 C ATOM 0 H ALA A 124 1.948 5.921 10.440 1.00 0.89 H new ATOM 0 HA ALA A 124 3.074 4.146 11.144 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.186 3.696 13.568 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.333 5.432 13.207 1.00 1.34 H new ATOM 0 HB3 ALA A 124 1.798 4.779 13.826 1.00 1.34 H new ATOM 1854 N ASP A 125 0.338 3.093 10.806 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.554 1.961 10.595 1.00 1.03 C ATOM 1856 C ASP A 125 -0.301 1.380 9.215 1.00 0.87 C ATOM 1857 O ASP A 125 -0.072 2.125 8.260 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.019 2.402 10.706 1.00 1.22 C ATOM 1859 CG ASP A 125 -2.989 1.235 10.805 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -3.188 0.538 9.786 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.549 0.997 11.892 1.00 2.36 O ATOM 0 H ASP A 125 0.134 3.900 10.217 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.360 1.208 11.359 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -2.135 3.038 11.584 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.276 3.008 9.837 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.316 0.063 9.111 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.157 -0.597 7.825 1.00 0.73 C ATOM 1868 C LEU A 126 -1.405 -1.431 7.550 1.00 0.76 C ATOM 1869 O LEU A 126 -1.520 -2.568 8.012 1.00 0.86 O ATOM 1870 CB LEU A 126 1.103 -1.474 7.819 1.00 0.75 C ATOM 1871 CG LEU A 126 1.884 -1.500 6.496 1.00 0.94 C ATOM 1872 CD1 LEU A 126 3.000 -2.534 6.555 1.00 1.67 C ATOM 1873 CD2 LEU A 126 0.964 -1.776 5.317 1.00 1.83 C ATOM 0 H LEU A 126 -0.437 -0.571 9.901 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.038 0.148 7.039 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.770 -1.127 8.608 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.815 -2.495 8.071 1.00 0.75 H new ATOM 0 HG LEU A 126 2.328 -0.515 6.351 1.00 0.94 H new ATOM 0 HD11 LEU A 126 3.542 -2.538 5.609 1.00 1.67 H new ATOM 0 HD12 LEU A 126 3.685 -2.284 7.365 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.573 -3.521 6.733 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.547 -1.788 4.396 1.00 1.83 H new ATOM 0 HD22 LEU A 126 0.479 -2.743 5.452 1.00 1.83 H new ATOM 0 HD23 LEU A 126 0.206 -0.995 5.257 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.383 -0.851 6.837 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.674 -1.488 6.601 1.00 0.89 C ATOM 1887 C PRO A 127 -3.585 -2.633 5.596 1.00 0.85 C ATOM 1888 O PRO A 127 -2.721 -2.636 4.727 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.546 -0.348 6.048 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.759 0.898 6.245 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.322 0.478 6.216 1.00 0.78 C ATOM 0 HA PRO A 127 -4.073 -1.941 7.509 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -4.772 -0.505 4.993 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.499 -0.295 6.574 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -3.971 1.623 5.459 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.009 1.373 7.194 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -1.929 0.437 5.200 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.685 1.162 6.777 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.503 -3.612 5.691 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.524 -4.782 4.802 1.00 1.06 C ATOM 1901 C PRO A 128 -4.869 -4.412 3.364 1.00 1.01 C ATOM 1902 O PRO A 128 -4.804 -5.244 2.462 1.00 1.15 O ATOM 1903 CB PRO A 128 -5.610 -5.688 5.390 1.00 1.27 C ATOM 1904 CG PRO A 128 -5.971 -5.102 6.714 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.579 -3.656 6.684 1.00 1.15 C ATOM 0 HA PRO A 128 -3.544 -5.258 4.754 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -6.479 -5.730 4.733 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -5.246 -6.709 5.503 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.040 -5.206 6.902 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -5.453 -5.624 7.519 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.416 -3.019 6.397 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.238 -3.313 7.661 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.236 -3.158 3.164 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.502 -2.644 1.825 1.00 0.96 C ATOM 1915 C HIS A 129 -4.358 -1.748 1.387 1.00 0.94 C ATOM 1916 O HIS A 129 -4.493 -0.970 0.452 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.846 -1.892 1.739 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.970 -0.694 2.631 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.626 -0.721 3.839 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -6.548 0.580 2.465 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.587 0.478 4.385 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.942 1.293 3.571 1.00 1.48 N ATOM 0 H HIS A 129 -5.358 -2.474 3.911 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.578 -3.497 1.151 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -7.000 -1.574 0.708 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.649 -2.589 1.981 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -6.001 0.966 1.618 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -8.012 0.749 5.340 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.766 2.284 3.735 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.259 -1.829 2.125 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.984 -1.222 1.713 1.00 0.69 C ATOM 1933 C LEU A 130 -0.838 -2.190 1.925 1.00 0.69 C ATOM 1934 O LEU A 130 0.308 -1.880 1.615 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.690 0.034 2.507 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.858 1.370 1.779 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -3.320 1.761 1.680 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -1.056 2.460 2.474 1.00 1.29 C ATOM 0 H LEU A 130 -3.218 -2.313 3.022 1.00 0.73 H new ATOM 0 HA LEU A 130 -2.078 -0.973 0.656 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.339 0.041 3.383 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.664 -0.027 2.871 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.476 1.251 0.765 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -3.407 2.714 1.158 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.865 0.994 1.129 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -3.740 1.856 2.681 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -1.187 3.403 1.943 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -1.405 2.570 3.501 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -0.000 2.189 2.477 1.00 1.29 H new ATOM 1950 N VAL A 131 -1.138 -3.336 2.509 1.00 0.76 N ATOM 1951 CA VAL A 131 -0.151 -4.375 2.653 1.00 0.84 C ATOM 1952 C VAL A 131 0.231 -4.896 1.282 1.00 0.76 C ATOM 1953 O VAL A 131 -0.637 -5.354 0.528 1.00 0.76 O ATOM 1954 CB VAL A 131 -0.672 -5.541 3.522 1.00 1.05 C ATOM 1955 CG1 VAL A 131 0.203 -6.761 3.363 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -0.713 -5.150 4.980 1.00 1.59 C ATOM 0 H VAL A 131 -2.057 -3.565 2.888 1.00 0.76 H new ATOM 0 HA VAL A 131 0.719 -3.949 3.152 1.00 0.84 H new ATOM 0 HB VAL A 131 -1.682 -5.774 3.184 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -0.183 -7.569 3.984 1.00 1.72 H new ATOM 0 HG12 VAL A 131 0.204 -7.074 2.319 1.00 1.72 H new ATOM 0 HG13 VAL A 131 1.221 -6.521 3.671 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -1.083 -5.988 5.571 1.00 1.59 H new ATOM 0 HG22 VAL A 131 0.290 -4.885 5.314 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -1.376 -4.294 5.109 1.00 1.59 H new ATOM 1966 N PRO A 132 1.521 -4.797 0.923 1.00 0.78 N ATOM 1967 CA PRO A 132 2.018 -5.364 -0.319 1.00 0.79 C ATOM 1968 C PRO A 132 1.624 -6.835 -0.398 1.00 0.83 C ATOM 1969 O PRO A 132 1.922 -7.608 0.516 1.00 0.85 O ATOM 1970 CB PRO A 132 3.535 -5.185 -0.226 1.00 0.90 C ATOM 1971 CG PRO A 132 3.722 -4.053 0.718 1.00 1.04 C ATOM 1972 CD PRO A 132 2.582 -4.134 1.697 1.00 0.88 C ATOM 0 HA PRO A 132 1.613 -4.890 -1.213 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.019 -6.090 0.140 1.00 0.90 H new ATOM 0 HB3 PRO A 132 3.969 -4.964 -1.201 1.00 0.90 H new ATOM 0 HG2 PRO A 132 4.681 -4.127 1.230 1.00 1.04 H new ATOM 0 HG3 PRO A 132 3.715 -3.100 0.190 1.00 1.04 H new ATOM 0 HD2 PRO A 132 2.852 -4.708 2.583 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.274 -3.146 2.039 1.00 0.88 H new