USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 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 USER MOD Set 1.2: A 71 ASN : amide:sc= -8.17! C(o=-8.2!,f=-10!) USER MOD Set 2.1: A 53 TYR OH : rot 89:sc= 1.69 USER MOD Set 2.2: A 111 HIS : no HE2:sc= 1.21 K(o=2.9,f=-8.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 1.14 (180deg=0.876) USER MOD Single : A 52 THR OG1 : rot 151:sc= 1.24 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.36) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= -1.71 (180deg=-1.82!) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0721 (180deg=-0.375) USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.158 (180deg=-0.627) USER MOD Single : A 76 MET CE :methyl 171:sc= -2.16 (180deg=-2.43) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.06) USER MOD Single : A 79 SER OG : rot 58:sc= -0.0467 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= -0.0462 (180deg=-0.223) USER MOD Single : A 83 ASN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 2.2 (180deg=1.7) USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= -1.17 (180deg=-3.29!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.0199 X(o=-0.02,f=0.39) USER MOD Single : A 114 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.02) USER MOD Single : A 116 LYS NZ :NH3+ 149:sc= 0.33 (180deg=-0.135) USER MOD Single : A 120 HIS : no HE2:sc= -0.232 K(o=-0.23,f=-2!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.535 0.236 -3.941 1.00 0.83 N ATOM 588 CA VAL A 45 -4.345 1.365 -4.841 1.00 0.83 C ATOM 589 C VAL A 45 -2.952 1.380 -5.512 1.00 0.65 C ATOM 590 O VAL A 45 -2.721 2.124 -6.460 1.00 0.73 O ATOM 591 CB VAL A 45 -4.552 2.683 -4.057 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.592 3.881 -4.989 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.822 2.628 -3.204 1.00 1.20 C ATOM 0 HA VAL A 45 -5.081 1.265 -5.639 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.697 2.800 -3.391 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.739 4.790 -4.406 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.652 3.948 -5.536 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.415 3.766 -5.695 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.940 3.568 -2.665 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.686 2.468 -3.848 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.745 1.808 -2.490 1.00 1.20 H new ATOM 603 N VAL A 46 -2.021 0.570 -5.029 1.00 0.48 N ATOM 604 CA VAL A 46 -0.692 0.526 -5.627 1.00 0.34 C ATOM 605 C VAL A 46 -0.659 -0.324 -6.892 1.00 0.33 C ATOM 606 O VAL A 46 0.157 -0.080 -7.776 1.00 0.40 O ATOM 607 CB VAL A 46 0.382 0.065 -4.603 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.518 -0.686 -5.268 1.00 0.66 C ATOM 609 CG2 VAL A 46 0.933 1.280 -3.886 1.00 0.53 C ATOM 0 H VAL A 46 -2.156 -0.058 -4.236 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.446 1.546 -5.923 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.095 -0.616 -3.898 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.245 -0.989 -4.514 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.125 -1.571 -5.769 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.002 -0.040 -6.000 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.688 0.966 -3.165 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.384 1.957 -4.611 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.125 1.793 -3.365 1.00 0.53 H new ATOM 619 N GLY A 47 -1.585 -1.261 -7.023 1.00 0.42 N ATOM 620 CA GLY A 47 -1.616 -2.097 -8.213 1.00 0.54 C ATOM 621 C GLY A 47 -1.803 -1.288 -9.486 1.00 0.56 C ATOM 622 O GLY A 47 -1.609 -1.793 -10.587 1.00 0.72 O ATOM 0 H GLY A 47 -2.312 -1.460 -6.335 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.687 -2.664 -8.279 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.426 -2.821 -8.124 1.00 0.54 H new ATOM 626 N LYS A 48 -2.181 -0.025 -9.329 1.00 0.49 N ATOM 627 CA LYS A 48 -2.424 0.849 -10.456 1.00 0.60 C ATOM 628 C LYS A 48 -1.393 1.972 -10.566 1.00 0.54 C ATOM 629 O LYS A 48 -1.463 2.788 -11.488 1.00 0.67 O ATOM 630 CB LYS A 48 -3.825 1.424 -10.340 1.00 0.76 C ATOM 631 CG LYS A 48 -4.213 1.877 -8.948 1.00 0.94 C ATOM 632 CD LYS A 48 -5.725 1.926 -8.792 1.00 1.43 C ATOM 633 CE LYS A 48 -6.343 0.542 -8.966 1.00 2.26 C ATOM 634 NZ LYS A 48 -7.829 0.579 -8.930 1.00 2.97 N ATOM 0 H LYS A 48 -2.325 0.414 -8.420 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.331 0.257 -11.367 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.912 2.271 -11.020 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.540 0.672 -10.675 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.790 1.197 -8.209 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -3.792 2.863 -8.752 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.979 2.319 -7.808 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -6.147 2.611 -9.528 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -6.015 0.117 -9.915 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -5.979 -0.118 -8.178 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -8.203 -0.384 -9.052 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -8.145 0.960 -8.015 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -8.180 1.187 -9.698 1.00 2.97 H new ATOM 648 N ASP A 49 -0.445 2.021 -9.637 1.00 0.45 N ATOM 649 CA ASP A 49 0.599 3.050 -9.678 1.00 0.50 C ATOM 650 C ASP A 49 1.976 2.431 -9.441 1.00 0.40 C ATOM 651 O ASP A 49 2.994 3.123 -9.416 1.00 0.40 O ATOM 652 CB ASP A 49 0.312 4.149 -8.645 1.00 0.68 C ATOM 653 CG ASP A 49 1.106 5.421 -8.895 1.00 1.09 C ATOM 654 OD1 ASP A 49 1.420 5.715 -10.067 1.00 1.83 O ATOM 655 OD2 ASP A 49 1.395 6.150 -7.924 1.00 1.58 O ATOM 0 H ASP A 49 -0.373 1.371 -8.854 1.00 0.45 H new ATOM 0 HA ASP A 49 0.596 3.503 -10.669 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.752 4.383 -8.658 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.543 3.773 -7.649 1.00 0.68 H new ATOM 660 N LYS A 50 1.996 1.109 -9.290 1.00 0.37 N ATOM 661 CA LYS A 50 3.231 0.361 -9.109 1.00 0.35 C ATOM 662 C LYS A 50 4.219 0.645 -10.240 1.00 0.35 C ATOM 663 O LYS A 50 5.385 0.882 -9.963 1.00 0.35 O ATOM 664 CB LYS A 50 2.959 -1.144 -9.022 1.00 0.39 C ATOM 665 CG LYS A 50 4.180 -1.950 -8.608 1.00 0.48 C ATOM 666 CD LYS A 50 3.878 -3.435 -8.567 1.00 0.63 C ATOM 667 CE LYS A 50 5.053 -4.238 -8.032 1.00 0.80 C ATOM 668 NZ LYS A 50 6.220 -4.226 -8.951 1.00 1.13 N ATOM 0 H LYS A 50 1.156 0.530 -9.290 1.00 0.37 H new ATOM 0 HA LYS A 50 3.673 0.690 -8.169 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.155 -1.321 -8.307 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.608 -1.500 -9.991 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.995 -1.763 -9.307 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.520 -1.620 -7.626 1.00 0.48 H new ATOM 0 HD2 LYS A 50 3.003 -3.610 -7.941 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.627 -3.782 -9.569 1.00 0.63 H new ATOM 0 HE2 LYS A 50 5.353 -3.835 -7.065 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.738 -5.268 -7.864 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.772 -5.098 -8.822 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.887 -4.169 -9.935 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 6.819 -3.402 -8.740 1.00 1.13 H new ATOM 682 N PRO A 51 3.778 0.631 -11.529 1.00 0.39 N ATOM 683 CA PRO A 51 4.629 0.992 -12.672 1.00 0.43 C ATOM 684 C PRO A 51 5.505 2.222 -12.431 1.00 0.37 C ATOM 685 O PRO A 51 6.624 2.289 -12.928 1.00 0.36 O ATOM 686 CB PRO A 51 3.612 1.283 -13.769 1.00 0.56 C ATOM 687 CG PRO A 51 2.494 0.346 -13.486 1.00 0.55 C ATOM 688 CD PRO A 51 2.427 0.219 -11.988 1.00 0.45 C ATOM 0 HA PRO A 51 5.341 0.199 -12.900 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.280 2.321 -13.739 1.00 0.56 H new ATOM 0 HB3 PRO A 51 4.034 1.112 -14.759 1.00 0.56 H new ATOM 0 HG2 PRO A 51 1.555 0.727 -13.887 1.00 0.55 H new ATOM 0 HG3 PRO A 51 2.670 -0.623 -13.952 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.651 0.859 -11.568 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.197 -0.802 -11.684 1.00 0.45 H new ATOM 696 N THR A 52 5.003 3.175 -11.655 1.00 0.36 N ATOM 697 CA THR A 52 5.733 4.402 -11.382 1.00 0.36 C ATOM 698 C THR A 52 6.878 4.124 -10.412 1.00 0.29 C ATOM 699 O THR A 52 8.034 4.486 -10.642 1.00 0.32 O ATOM 700 CB THR A 52 4.797 5.470 -10.775 1.00 0.44 C ATOM 701 OG1 THR A 52 3.632 5.615 -11.598 1.00 0.60 O ATOM 702 CG2 THR A 52 5.509 6.807 -10.643 1.00 0.50 C ATOM 0 H THR A 52 4.090 3.119 -11.203 1.00 0.36 H new ATOM 0 HA THR A 52 6.134 4.777 -12.324 1.00 0.36 H new ATOM 0 HB THR A 52 4.501 5.143 -9.778 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.871 5.886 -11.043 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.828 7.541 -10.213 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.377 6.694 -9.994 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.833 7.145 -11.627 1.00 0.50 H new ATOM 710 N TYR A 53 6.557 3.428 -9.342 1.00 0.25 N ATOM 711 CA TYR A 53 7.528 3.170 -8.291 1.00 0.24 C ATOM 712 C TYR A 53 8.495 2.090 -8.728 1.00 0.22 C ATOM 713 O TYR A 53 9.634 2.026 -8.275 1.00 0.24 O ATOM 714 CB TYR A 53 6.822 2.651 -7.061 1.00 0.27 C ATOM 715 CG TYR A 53 5.534 3.352 -6.701 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.464 4.730 -6.576 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.378 2.616 -6.480 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.280 5.351 -6.236 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.197 3.230 -6.138 1.00 0.68 C ATOM 720 CZ TYR A 53 3.153 4.592 -6.015 1.00 0.62 C ATOM 721 OH TYR A 53 1.974 5.202 -5.674 1.00 0.79 O ATOM 0 H TYR A 53 5.633 3.030 -9.174 1.00 0.25 H new ATOM 0 HA TYR A 53 8.054 4.102 -8.082 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.609 1.592 -7.206 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.504 2.726 -6.214 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.348 5.326 -6.747 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.407 1.541 -6.579 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.238 6.426 -6.144 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.308 2.641 -5.967 1.00 0.68 H new ATOM 0 HH TYR A 53 1.477 5.431 -6.487 1.00 0.79 H new ATOM 731 N ASP A 54 8.022 1.266 -9.639 1.00 0.21 N ATOM 732 CA ASP A 54 8.769 0.118 -10.120 1.00 0.23 C ATOM 733 C ASP A 54 9.745 0.559 -11.198 1.00 0.22 C ATOM 734 O ASP A 54 10.850 0.031 -11.313 1.00 0.23 O ATOM 735 CB ASP A 54 7.784 -0.913 -10.675 1.00 0.31 C ATOM 736 CG ASP A 54 8.435 -2.190 -11.161 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.799 -2.260 -12.351 1.00 1.14 O ATOM 738 OD2 ASP A 54 8.525 -3.144 -10.365 1.00 1.16 O ATOM 0 H ASP A 54 7.104 1.372 -10.070 1.00 0.21 H new ATOM 0 HA ASP A 54 9.337 -0.330 -9.305 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.058 -1.160 -9.900 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.230 -0.464 -11.499 1.00 0.31 H new ATOM 743 N GLU A 55 9.346 1.560 -11.971 1.00 0.24 N ATOM 744 CA GLU A 55 10.233 2.121 -12.970 1.00 0.28 C ATOM 745 C GLU A 55 11.361 2.866 -12.279 1.00 0.29 C ATOM 746 O GLU A 55 12.513 2.757 -12.689 1.00 0.35 O ATOM 747 CB GLU A 55 9.476 3.018 -13.964 1.00 0.35 C ATOM 748 CG GLU A 55 8.933 4.307 -13.378 1.00 0.40 C ATOM 749 CD GLU A 55 9.755 5.524 -13.776 1.00 0.88 C ATOM 750 OE1 GLU A 55 11.003 5.444 -13.761 1.00 1.63 O ATOM 751 OE2 GLU A 55 9.147 6.562 -14.117 1.00 1.38 O ATOM 0 H GLU A 55 8.424 1.993 -11.924 1.00 0.24 H new ATOM 0 HA GLU A 55 10.660 1.309 -13.559 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.144 3.265 -14.789 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.646 2.450 -14.384 1.00 0.35 H new ATOM 0 HG2 GLU A 55 7.903 4.446 -13.707 1.00 0.40 H new ATOM 0 HG3 GLU A 55 8.912 4.227 -12.291 1.00 0.40 H new ATOM 758 N ILE A 56 11.046 3.579 -11.194 1.00 0.27 N ATOM 759 CA ILE A 56 12.080 4.245 -10.415 1.00 0.30 C ATOM 760 C ILE A 56 12.932 3.194 -9.706 1.00 0.27 C ATOM 761 O ILE A 56 14.134 3.366 -9.523 1.00 0.30 O ATOM 762 CB ILE A 56 11.477 5.225 -9.387 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.555 6.217 -10.096 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.581 5.970 -8.650 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.702 7.033 -9.152 1.00 0.61 C ATOM 0 H ILE A 56 10.097 3.706 -10.843 1.00 0.27 H new ATOM 0 HA ILE A 56 12.701 4.828 -11.095 1.00 0.30 H new ATOM 0 HB ILE A 56 10.898 4.657 -8.658 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.159 6.892 -10.702 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.905 5.671 -10.780 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.138 6.657 -7.929 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.216 5.255 -8.127 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.181 6.532 -9.366 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.074 7.714 -9.726 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.071 6.367 -8.564 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.345 7.607 -8.485 1.00 0.61 H new ATOM 777 N PHE A 57 12.288 2.089 -9.355 1.00 0.24 N ATOM 778 CA PHE A 57 12.948 0.937 -8.750 1.00 0.22 C ATOM 779 C PHE A 57 14.096 0.438 -9.632 1.00 0.24 C ATOM 780 O PHE A 57 15.228 0.297 -9.168 1.00 0.32 O ATOM 781 CB PHE A 57 11.902 -0.164 -8.521 1.00 0.20 C ATOM 782 CG PHE A 57 12.450 -1.490 -8.087 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.940 -1.668 -6.808 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.450 -2.567 -8.957 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.428 -2.894 -6.407 1.00 0.83 C ATOM 786 CE2 PHE A 57 12.934 -3.797 -8.561 1.00 0.88 C ATOM 787 CZ PHE A 57 13.424 -3.961 -7.283 1.00 0.28 C ATOM 0 H PHE A 57 11.284 1.965 -9.483 1.00 0.24 H new ATOM 0 HA PHE A 57 13.384 1.225 -7.793 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.194 0.182 -7.768 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.341 -0.306 -9.444 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.941 -0.839 -6.115 1.00 0.83 H new ATOM 0 HD2 PHE A 57 12.066 -2.443 -9.959 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.814 -3.020 -5.406 1.00 0.83 H new ATOM 0 HE2 PHE A 57 12.929 -4.629 -9.250 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.804 -4.922 -6.968 1.00 0.28 H new ATOM 797 N TYR A 58 13.808 0.179 -10.906 1.00 0.26 N ATOM 798 CA TYR A 58 14.846 -0.242 -11.843 1.00 0.29 C ATOM 799 C TYR A 58 15.728 0.941 -12.249 1.00 0.33 C ATOM 800 O TYR A 58 16.875 0.763 -12.667 1.00 0.37 O ATOM 801 CB TYR A 58 14.232 -0.899 -13.083 1.00 0.33 C ATOM 802 CG TYR A 58 13.638 -2.267 -12.819 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.324 -2.403 -12.405 1.00 0.88 C ATOM 804 CD2 TYR A 58 14.398 -3.420 -12.985 1.00 1.00 C ATOM 805 CE1 TYR A 58 11.777 -3.647 -12.161 1.00 0.92 C ATOM 806 CE2 TYR A 58 13.855 -4.671 -12.742 1.00 1.03 C ATOM 807 CZ TYR A 58 12.545 -4.780 -12.330 1.00 0.50 C ATOM 808 OH TYR A 58 12.001 -6.023 -12.084 1.00 0.61 O ATOM 0 H TYR A 58 12.874 0.252 -11.310 1.00 0.26 H new ATOM 0 HA TYR A 58 15.470 -0.979 -11.338 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.455 -0.247 -13.481 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.999 -0.988 -13.853 1.00 0.33 H new ATOM 0 HD1 TYR A 58 11.716 -1.521 -12.271 1.00 0.88 H new ATOM 0 HD2 TYR A 58 15.425 -3.339 -13.308 1.00 1.00 H new ATOM 0 HE1 TYR A 58 10.750 -3.733 -11.838 1.00 0.92 H new ATOM 0 HE2 TYR A 58 14.457 -5.558 -12.875 1.00 1.03 H new ATOM 0 HH TYR A 58 12.675 -6.714 -12.252 1.00 0.61 H new ATOM 818 N THR A 59 15.191 2.145 -12.108 1.00 0.33 N ATOM 819 CA THR A 59 15.926 3.368 -12.409 1.00 0.38 C ATOM 820 C THR A 59 17.032 3.614 -11.376 1.00 0.38 C ATOM 821 O THR A 59 18.107 4.129 -11.707 1.00 0.44 O ATOM 822 CB THR A 59 14.956 4.576 -12.488 1.00 0.40 C ATOM 823 OG1 THR A 59 14.196 4.497 -13.701 1.00 0.44 O ATOM 824 CG2 THR A 59 15.685 5.902 -12.449 1.00 0.44 C ATOM 0 H THR A 59 14.237 2.302 -11.783 1.00 0.33 H new ATOM 0 HA THR A 59 16.404 3.250 -13.381 1.00 0.38 H new ATOM 0 HB THR A 59 14.303 4.528 -11.617 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.335 4.066 -13.520 1.00 0.44 H new ATOM 0 HG21 THR A 59 14.963 6.716 -12.507 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.247 5.981 -11.518 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.371 5.965 -13.294 1.00 0.44 H new ATOM 832 N LEU A 60 16.789 3.209 -10.138 1.00 0.33 N ATOM 833 CA LEU A 60 17.794 3.318 -9.086 1.00 0.35 C ATOM 834 C LEU A 60 18.744 2.126 -9.139 1.00 0.36 C ATOM 835 O LEU A 60 19.765 2.108 -8.457 1.00 0.45 O ATOM 836 CB LEU A 60 17.123 3.403 -7.710 1.00 0.35 C ATOM 837 CG LEU A 60 16.277 4.654 -7.480 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.750 4.675 -6.058 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.088 5.908 -7.766 1.00 0.76 C ATOM 0 H LEU A 60 15.904 2.801 -9.835 1.00 0.33 H new ATOM 0 HA LEU A 60 18.368 4.231 -9.247 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.491 2.525 -7.576 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.896 3.359 -6.942 1.00 0.35 H new ATOM 0 HG LEU A 60 15.430 4.632 -8.166 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.149 5.571 -5.906 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.135 3.792 -5.885 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.587 4.677 -5.360 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.468 6.789 -7.597 1.00 0.76 H new ATOM 0 HD22 LEU A 60 17.953 5.940 -7.104 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.424 5.895 -8.803 1.00 0.76 H new ATOM 851 N SER A 61 18.393 1.149 -9.979 1.00 0.33 N ATOM 852 CA SER A 61 19.193 -0.058 -10.193 1.00 0.36 C ATOM 853 C SER A 61 19.108 -0.999 -8.994 1.00 0.33 C ATOM 854 O SER A 61 19.822 -0.842 -8.003 1.00 0.37 O ATOM 855 CB SER A 61 20.656 0.280 -10.515 1.00 0.45 C ATOM 856 OG SER A 61 21.405 -0.893 -10.789 1.00 0.64 O ATOM 0 H SER A 61 17.538 1.174 -10.534 1.00 0.33 H new ATOM 0 HA SER A 61 18.773 -0.571 -11.058 1.00 0.36 H new ATOM 0 HB2 SER A 61 20.697 0.950 -11.374 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.103 0.812 -9.675 1.00 0.45 H new ATOM 0 HG SER A 61 22.332 -0.649 -10.992 1.00 0.64 H new ATOM 862 N PRO A 62 18.216 -1.995 -9.079 1.00 0.29 N ATOM 863 CA PRO A 62 18.050 -2.988 -8.032 1.00 0.31 C ATOM 864 C PRO A 62 19.063 -4.124 -8.146 1.00 0.32 C ATOM 865 O PRO A 62 19.807 -4.215 -9.124 1.00 0.46 O ATOM 866 CB PRO A 62 16.634 -3.509 -8.267 1.00 0.37 C ATOM 867 CG PRO A 62 16.374 -3.319 -9.725 1.00 0.36 C ATOM 868 CD PRO A 62 17.303 -2.230 -10.209 1.00 0.29 C ATOM 0 HA PRO A 62 18.206 -2.568 -7.039 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.551 -4.559 -7.988 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.909 -2.961 -7.665 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.551 -4.246 -10.271 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.334 -3.041 -9.897 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.847 -2.540 -11.101 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.753 -1.326 -10.469 1.00 0.29 H new ATOM 876 N VAL A 63 19.080 -4.984 -7.139 1.00 0.33 N ATOM 877 CA VAL A 63 19.974 -6.125 -7.107 1.00 0.42 C ATOM 878 C VAL A 63 19.205 -7.351 -6.640 1.00 0.44 C ATOM 879 O VAL A 63 18.720 -7.382 -5.515 1.00 0.45 O ATOM 880 CB VAL A 63 21.170 -5.888 -6.153 1.00 0.58 C ATOM 881 CG1 VAL A 63 22.038 -7.136 -6.041 1.00 1.33 C ATOM 882 CG2 VAL A 63 22.003 -4.700 -6.609 1.00 1.28 C ATOM 0 H VAL A 63 18.473 -4.908 -6.322 1.00 0.33 H new ATOM 0 HA VAL A 63 20.365 -6.274 -8.114 1.00 0.42 H new ATOM 0 HB VAL A 63 20.766 -5.664 -5.166 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.870 -6.941 -5.365 1.00 1.33 H new ATOM 0 HG12 VAL A 63 21.441 -7.961 -5.653 1.00 1.33 H new ATOM 0 HG13 VAL A 63 22.425 -7.400 -7.025 1.00 1.33 H new ATOM 0 HG21 VAL A 63 22.837 -4.555 -5.922 1.00 1.28 H new ATOM 0 HG22 VAL A 63 22.387 -4.889 -7.611 1.00 1.28 H new ATOM 0 HG23 VAL A 63 21.383 -3.804 -6.621 1.00 1.28 H new ATOM 892 N ASN A 64 19.056 -8.328 -7.525 1.00 0.54 N ATOM 893 CA ASN A 64 18.436 -9.616 -7.194 1.00 0.63 C ATOM 894 C ASN A 64 16.936 -9.472 -6.956 1.00 0.55 C ATOM 895 O ASN A 64 16.319 -10.287 -6.268 1.00 0.60 O ATOM 896 CB ASN A 64 19.117 -10.261 -5.977 1.00 0.71 C ATOM 897 CG ASN A 64 20.610 -10.462 -6.186 1.00 1.08 C ATOM 898 OD1 ASN A 64 21.376 -10.569 -5.228 1.00 1.42 O ATOM 899 ND2 ASN A 64 21.037 -10.463 -7.438 1.00 1.67 N ATOM 0 H ASN A 64 19.360 -8.255 -8.496 1.00 0.54 H new ATOM 0 HA ASN A 64 18.576 -10.273 -8.053 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.957 -9.634 -5.100 1.00 0.71 H new ATOM 0 HB3 ASN A 64 18.649 -11.224 -5.770 1.00 0.71 H new ATOM 0 HD21 ASN A 64 22.033 -10.555 -7.637 1.00 1.67 H new ATOM 0 HD22 ASN A 64 20.370 -10.372 -8.204 1.00 1.67 H new ATOM 906 N GLY A 65 16.355 -8.429 -7.528 1.00 0.49 N ATOM 907 CA GLY A 65 14.915 -8.271 -7.502 1.00 0.50 C ATOM 908 C GLY A 65 14.443 -7.426 -6.342 1.00 0.39 C ATOM 909 O GLY A 65 13.316 -7.578 -5.873 1.00 0.49 O ATOM 0 H GLY A 65 16.857 -7.685 -8.012 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.587 -7.815 -8.436 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.447 -9.254 -7.445 1.00 0.50 H new ATOM 913 N LYS A 66 15.320 -6.562 -5.859 1.00 0.33 N ATOM 914 CA LYS A 66 14.986 -5.619 -4.800 1.00 0.26 C ATOM 915 C LYS A 66 16.108 -4.601 -4.686 1.00 0.21 C ATOM 916 O LYS A 66 17.239 -4.879 -5.083 1.00 0.27 O ATOM 917 CB LYS A 66 14.742 -6.328 -3.447 1.00 0.30 C ATOM 918 CG LYS A 66 15.984 -6.907 -2.771 1.00 0.75 C ATOM 919 CD LYS A 66 16.643 -8.008 -3.586 1.00 0.61 C ATOM 920 CE LYS A 66 16.058 -9.394 -3.317 1.00 1.21 C ATOM 921 NZ LYS A 66 14.638 -9.532 -3.754 1.00 1.82 N ATOM 0 H LYS A 66 16.283 -6.493 -6.188 1.00 0.33 H new ATOM 0 HA LYS A 66 14.053 -5.117 -5.057 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.276 -5.618 -2.764 1.00 0.30 H new ATOM 0 HB3 LYS A 66 14.026 -7.135 -3.604 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.705 -6.107 -2.601 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.708 -7.301 -1.793 1.00 0.75 H new ATOM 0 HD2 LYS A 66 16.539 -7.777 -4.646 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.711 -8.023 -3.366 1.00 0.61 H new ATOM 0 HE2 LYS A 66 16.663 -10.142 -3.830 1.00 1.21 H new ATOM 0 HE3 LYS A 66 16.125 -9.608 -2.250 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 14.349 -10.529 -3.686 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 14.029 -8.952 -3.142 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 14.545 -9.211 -4.739 1.00 1.82 H new ATOM 935 N ILE A 67 15.801 -3.414 -4.196 1.00 0.18 N ATOM 936 CA ILE A 67 16.829 -2.410 -4.014 1.00 0.20 C ATOM 937 C ILE A 67 17.491 -2.581 -2.674 1.00 0.19 C ATOM 938 O ILE A 67 16.829 -2.855 -1.674 1.00 0.21 O ATOM 939 CB ILE A 67 16.298 -0.962 -4.131 1.00 0.25 C ATOM 940 CG1 ILE A 67 15.019 -0.782 -3.308 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.065 -0.610 -5.596 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.297 0.523 -3.568 1.00 0.35 C ATOM 0 H ILE A 67 14.862 -3.126 -3.921 1.00 0.18 H new ATOM 0 HA ILE A 67 17.546 -2.561 -4.821 1.00 0.20 H new ATOM 0 HB ILE A 67 17.046 -0.280 -3.727 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.342 -1.609 -3.523 1.00 0.29 H new ATOM 0 HG13 ILE A 67 15.269 -0.842 -2.249 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.691 0.411 -5.670 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.004 -0.693 -6.144 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.333 -1.296 -6.023 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.402 0.574 -2.947 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.955 1.357 -3.325 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.013 0.579 -4.619 1.00 0.35 H new ATOM 954 N THR A 68 18.801 -2.462 -2.668 1.00 0.24 N ATOM 955 CA THR A 68 19.531 -2.378 -1.436 1.00 0.30 C ATOM 956 C THR A 68 19.034 -1.151 -0.699 1.00 0.36 C ATOM 957 O THR A 68 18.912 -0.081 -1.296 1.00 0.70 O ATOM 958 CB THR A 68 21.045 -2.279 -1.692 1.00 0.44 C ATOM 959 OG1 THR A 68 21.309 -1.273 -2.679 1.00 0.65 O ATOM 960 CG2 THR A 68 21.599 -3.616 -2.158 1.00 0.55 C ATOM 0 H THR A 68 19.378 -2.422 -3.508 1.00 0.24 H new ATOM 0 HA THR A 68 19.369 -3.277 -0.842 1.00 0.30 H new ATOM 0 HB THR A 68 21.536 -2.006 -0.758 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.275 -1.214 -2.836 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.671 -3.524 -2.333 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.420 -4.371 -1.392 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.104 -3.913 -3.083 1.00 0.55 H new ATOM 968 N GLY A 69 18.702 -1.309 0.570 1.00 0.29 N ATOM 969 CA GLY A 69 18.070 -0.236 1.307 1.00 0.31 C ATOM 970 C GLY A 69 18.800 1.087 1.206 1.00 0.31 C ATOM 971 O GLY A 69 18.184 2.131 1.345 1.00 0.38 O ATOM 0 H GLY A 69 18.859 -2.163 1.105 1.00 0.29 H new ATOM 0 HA2 GLY A 69 17.051 -0.107 0.941 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.998 -0.522 2.356 1.00 0.31 H new ATOM 975 N ALA A 70 20.106 1.042 0.956 1.00 0.33 N ATOM 976 CA ALA A 70 20.894 2.247 0.702 1.00 0.37 C ATOM 977 C ALA A 70 20.201 3.167 -0.302 1.00 0.35 C ATOM 978 O ALA A 70 19.923 4.320 0.012 1.00 0.39 O ATOM 979 CB ALA A 70 22.279 1.877 0.201 1.00 0.44 C ATOM 0 H ALA A 70 20.645 0.177 0.924 1.00 0.33 H new ATOM 0 HA ALA A 70 20.987 2.787 1.644 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.854 2.785 0.016 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.788 1.272 0.951 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.191 1.309 -0.725 1.00 0.44 H new ATOM 985 N ASN A 71 19.880 2.644 -1.486 1.00 0.35 N ATOM 986 CA ASN A 71 19.313 3.469 -2.551 1.00 0.37 C ATOM 987 C ASN A 71 17.866 3.837 -2.231 1.00 0.34 C ATOM 988 O ASN A 71 17.373 4.885 -2.650 1.00 0.34 O ATOM 989 CB ASN A 71 19.407 2.775 -3.921 1.00 0.47 C ATOM 990 CG ASN A 71 18.396 1.681 -4.129 1.00 1.01 C ATOM 991 OD1 ASN A 71 17.234 1.939 -4.427 1.00 2.11 O ATOM 992 ND2 ASN A 71 18.852 0.445 -4.024 1.00 1.00 N ATOM 0 H ASN A 71 20.002 1.661 -1.730 1.00 0.35 H new ATOM 0 HA ASN A 71 19.902 4.384 -2.607 1.00 0.37 H new ATOM 0 HB2 ASN A 71 19.282 3.523 -4.704 1.00 0.47 H new ATOM 0 HB3 ASN A 71 20.407 2.357 -4.036 1.00 0.47 H new ATOM 0 HD21 ASN A 71 18.229 -0.345 -4.194 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.827 0.281 -3.773 1.00 1.00 H new ATOM 999 N ALA A 72 17.206 2.986 -1.455 1.00 0.35 N ATOM 1000 CA ALA A 72 15.845 3.249 -1.018 1.00 0.35 C ATOM 1001 C ALA A 72 15.845 4.408 -0.043 1.00 0.31 C ATOM 1002 O ALA A 72 14.947 5.247 -0.051 1.00 0.30 O ATOM 1003 CB ALA A 72 15.256 2.016 -0.366 1.00 0.42 C ATOM 0 H ALA A 72 17.595 2.106 -1.116 1.00 0.35 H new ATOM 0 HA ALA A 72 15.233 3.506 -1.883 1.00 0.35 H new ATOM 0 HB1 ALA A 72 14.236 2.227 -0.043 1.00 0.42 H new ATOM 0 HB2 ALA A 72 15.247 1.195 -1.082 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.860 1.738 0.498 1.00 0.42 H new ATOM 1009 N LYS A 73 16.881 4.449 0.785 1.00 0.31 N ATOM 1010 CA LYS A 73 17.055 5.524 1.746 1.00 0.31 C ATOM 1011 C LYS A 73 17.346 6.822 1.019 1.00 0.29 C ATOM 1012 O LYS A 73 16.854 7.869 1.405 1.00 0.30 O ATOM 1013 CB LYS A 73 18.179 5.213 2.746 1.00 0.37 C ATOM 1014 CG LYS A 73 17.915 3.980 3.591 1.00 0.39 C ATOM 1015 CD LYS A 73 16.570 4.069 4.283 1.00 0.44 C ATOM 1016 CE LYS A 73 16.594 5.054 5.443 1.00 0.85 C ATOM 1017 NZ LYS A 73 17.516 4.618 6.529 1.00 1.69 N ATOM 0 H LYS A 73 17.617 3.743 0.808 1.00 0.31 H new ATOM 0 HA LYS A 73 16.128 5.624 2.311 1.00 0.31 H new ATOM 0 HB2 LYS A 73 19.112 5.076 2.200 1.00 0.37 H new ATOM 0 HB3 LYS A 73 18.317 6.071 3.403 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.945 3.091 2.961 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.704 3.870 4.335 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.811 4.374 3.563 1.00 0.44 H new ATOM 0 HD3 LYS A 73 16.284 3.083 4.649 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.901 6.035 5.079 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.587 5.164 5.845 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 17.285 5.128 7.406 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 17.410 3.595 6.685 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 18.498 4.826 6.255 1.00 1.69 H new ATOM 1031 N LYS A 74 18.136 6.735 -0.046 1.00 0.31 N ATOM 1032 CA LYS A 74 18.421 7.895 -0.884 1.00 0.34 C ATOM 1033 C LYS A 74 17.122 8.492 -1.387 1.00 0.31 C ATOM 1034 O LYS A 74 16.882 9.693 -1.285 1.00 0.33 O ATOM 1035 CB LYS A 74 19.258 7.506 -2.095 1.00 0.44 C ATOM 1036 CG LYS A 74 20.433 6.579 -1.809 1.00 0.83 C ATOM 1037 CD LYS A 74 21.252 6.997 -0.594 1.00 1.02 C ATOM 1038 CE LYS A 74 22.130 8.201 -0.862 1.00 0.96 C ATOM 1039 NZ LYS A 74 23.014 8.005 -2.045 1.00 1.35 N ATOM 0 H LYS A 74 18.590 5.874 -0.350 1.00 0.31 H new ATOM 0 HA LYS A 74 18.972 8.614 -0.278 1.00 0.34 H new ATOM 0 HB2 LYS A 74 18.607 7.025 -2.825 1.00 0.44 H new ATOM 0 HB3 LYS A 74 19.640 8.416 -2.559 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.059 5.567 -1.655 1.00 0.83 H new ATOM 0 HG3 LYS A 74 21.083 6.549 -2.683 1.00 0.83 H new ATOM 0 HD2 LYS A 74 20.578 7.222 0.233 1.00 1.02 H new ATOM 0 HD3 LYS A 74 21.876 6.161 -0.278 1.00 1.02 H new ATOM 0 HE2 LYS A 74 21.502 9.077 -1.022 1.00 0.96 H new ATOM 0 HE3 LYS A 74 22.742 8.404 0.017 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.819 8.661 -1.989 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 23.365 7.026 -2.058 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.476 8.191 -2.915 1.00 1.35 H new ATOM 1053 N GLU A 75 16.307 7.614 -1.939 1.00 0.34 N ATOM 1054 CA GLU A 75 15.009 7.971 -2.513 1.00 0.38 C ATOM 1055 C GLU A 75 14.121 8.693 -1.488 1.00 0.34 C ATOM 1056 O GLU A 75 13.635 9.804 -1.729 1.00 0.38 O ATOM 1057 CB GLU A 75 14.340 6.686 -3.023 1.00 0.47 C ATOM 1058 CG GLU A 75 13.492 6.852 -4.279 1.00 0.62 C ATOM 1059 CD GLU A 75 13.909 8.039 -5.135 1.00 0.96 C ATOM 1060 OE1 GLU A 75 14.980 7.973 -5.780 1.00 1.36 O ATOM 1061 OE2 GLU A 75 13.167 9.039 -5.170 1.00 1.48 O ATOM 0 H GLU A 75 16.523 6.619 -2.006 1.00 0.34 H new ATOM 0 HA GLU A 75 15.153 8.666 -3.340 1.00 0.38 H new ATOM 0 HB2 GLU A 75 15.115 5.946 -3.222 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.711 6.283 -2.229 1.00 0.47 H new ATOM 0 HG2 GLU A 75 13.557 5.942 -4.876 1.00 0.62 H new ATOM 0 HG3 GLU A 75 12.447 6.970 -3.991 1.00 0.62 H new ATOM 1068 N MET A 76 13.947 8.087 -0.326 1.00 0.31 N ATOM 1069 CA MET A 76 13.110 8.681 0.710 1.00 0.32 C ATOM 1070 C MET A 76 13.795 9.883 1.375 1.00 0.31 C ATOM 1071 O MET A 76 13.127 10.744 1.945 1.00 0.36 O ATOM 1072 CB MET A 76 12.687 7.631 1.741 1.00 0.33 C ATOM 1073 CG MET A 76 13.813 6.726 2.201 1.00 0.50 C ATOM 1074 SD MET A 76 13.315 5.612 3.529 1.00 0.65 S ATOM 1075 CE MET A 76 12.045 4.647 2.706 1.00 0.46 C ATOM 0 H MET A 76 14.368 7.193 -0.075 1.00 0.31 H new ATOM 0 HA MET A 76 12.207 9.057 0.229 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.266 8.139 2.609 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.893 7.018 1.314 1.00 0.33 H new ATOM 0 HG2 MET A 76 14.170 6.139 1.355 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.649 7.337 2.540 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.752 3.812 3.343 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.177 5.278 2.512 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.433 4.264 1.762 1.00 0.46 H new ATOM 1085 N VAL A 77 15.121 9.952 1.288 1.00 0.30 N ATOM 1086 CA VAL A 77 15.866 11.112 1.786 1.00 0.34 C ATOM 1087 C VAL A 77 15.636 12.321 0.884 1.00 0.37 C ATOM 1088 O VAL A 77 15.366 13.422 1.363 1.00 0.41 O ATOM 1089 CB VAL A 77 17.387 10.822 1.894 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.223 12.092 1.755 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.700 10.140 3.217 1.00 0.42 C ATOM 0 H VAL A 77 15.703 9.221 0.879 1.00 0.30 H new ATOM 0 HA VAL A 77 15.493 11.328 2.787 1.00 0.34 H new ATOM 0 HB VAL A 77 17.650 10.159 1.070 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.281 11.842 1.837 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.032 12.549 0.784 1.00 0.59 H new ATOM 0 HG13 VAL A 77 17.954 12.793 2.545 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.770 9.942 3.280 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.402 10.789 4.040 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.153 9.199 3.280 1.00 0.42 H new ATOM 1101 N LYS A 78 15.719 12.109 -0.427 1.00 0.39 N ATOM 1102 CA LYS A 78 15.526 13.191 -1.385 1.00 0.45 C ATOM 1103 C LYS A 78 14.060 13.609 -1.415 1.00 0.48 C ATOM 1104 O LYS A 78 13.707 14.662 -1.945 1.00 0.59 O ATOM 1105 CB LYS A 78 15.981 12.762 -2.777 1.00 0.54 C ATOM 1106 CG LYS A 78 15.092 11.698 -3.386 1.00 0.76 C ATOM 1107 CD LYS A 78 15.642 11.171 -4.687 1.00 0.84 C ATOM 1108 CE LYS A 78 16.882 10.325 -4.470 1.00 1.08 C ATOM 1109 NZ LYS A 78 17.160 9.460 -5.641 1.00 1.20 N ATOM 0 H LYS A 78 15.918 11.201 -0.848 1.00 0.39 H new ATOM 0 HA LYS A 78 16.130 14.043 -1.072 1.00 0.45 H new ATOM 0 HB2 LYS A 78 15.998 13.633 -3.432 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.002 12.386 -2.720 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.979 10.874 -2.681 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.098 12.111 -3.555 1.00 0.76 H new ATOM 0 HD2 LYS A 78 14.879 10.577 -5.190 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.882 12.006 -5.346 1.00 0.84 H new ATOM 0 HE2 LYS A 78 17.738 10.973 -4.284 1.00 1.08 H new ATOM 0 HE3 LYS A 78 16.751 9.706 -3.582 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 17.906 8.777 -5.399 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 16.295 8.948 -5.907 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 17.474 10.047 -6.440 1.00 1.20 H new ATOM 1123 N SER A 79 13.212 12.763 -0.846 1.00 0.44 N ATOM 1124 CA SER A 79 11.803 13.092 -0.633 1.00 0.51 C ATOM 1125 C SER A 79 11.638 14.272 0.343 1.00 0.55 C ATOM 1126 O SER A 79 10.508 14.681 0.639 1.00 0.64 O ATOM 1127 CB SER A 79 11.062 11.863 -0.107 1.00 0.53 C ATOM 1128 OG SER A 79 11.105 10.797 -1.048 1.00 1.37 O ATOM 0 H SER A 79 13.476 11.833 -0.519 1.00 0.44 H new ATOM 0 HA SER A 79 11.376 13.394 -1.589 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.509 11.540 0.833 1.00 0.53 H new ATOM 0 HB3 SER A 79 10.025 12.123 0.105 1.00 0.53 H new ATOM 0 HG SER A 79 12.038 10.570 -1.243 1.00 1.37 H new ATOM 1134 N LYS A 80 12.769 14.779 0.858 1.00 0.54 N ATOM 1135 CA LYS A 80 12.818 16.008 1.657 1.00 0.61 C ATOM 1136 C LYS A 80 12.201 15.803 3.028 1.00 0.62 C ATOM 1137 O LYS A 80 11.099 16.281 3.305 1.00 0.75 O ATOM 1138 CB LYS A 80 12.134 17.178 0.941 1.00 0.70 C ATOM 1139 CG LYS A 80 12.761 17.526 -0.396 1.00 1.01 C ATOM 1140 CD LYS A 80 12.189 18.816 -0.962 1.00 1.31 C ATOM 1141 CE LYS A 80 12.799 19.157 -2.314 1.00 1.94 C ATOM 1142 NZ LYS A 80 14.281 19.288 -2.243 1.00 2.65 N ATOM 0 H LYS A 80 13.682 14.342 0.729 1.00 0.54 H new ATOM 0 HA LYS A 80 13.871 16.257 1.786 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.083 16.933 0.787 1.00 0.70 H new ATOM 0 HB3 LYS A 80 12.166 18.056 1.586 1.00 0.70 H new ATOM 0 HG2 LYS A 80 13.840 17.626 -0.278 1.00 1.01 H new ATOM 0 HG3 LYS A 80 12.592 16.712 -1.101 1.00 1.01 H new ATOM 0 HD2 LYS A 80 11.108 18.721 -1.064 1.00 1.31 H new ATOM 0 HD3 LYS A 80 12.372 19.633 -0.264 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.538 18.382 -3.035 1.00 1.94 H new ATOM 0 HE3 LYS A 80 12.370 20.090 -2.680 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 14.633 19.730 -3.116 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 14.539 19.879 -1.427 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 14.708 18.346 -2.136 1.00 2.65 H new ATOM 1156 N LEU A 81 12.905 15.069 3.876 1.00 0.66 N ATOM 1157 CA LEU A 81 12.404 14.759 5.204 1.00 0.69 C ATOM 1158 C LEU A 81 13.511 14.762 6.237 1.00 0.73 C ATOM 1159 O LEU A 81 14.693 14.670 5.903 1.00 0.75 O ATOM 1160 CB LEU A 81 11.759 13.381 5.220 1.00 0.70 C ATOM 1161 CG LEU A 81 10.628 13.182 4.228 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.330 11.702 4.066 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.397 13.935 4.712 1.00 1.08 C ATOM 0 H LEU A 81 13.824 14.678 3.668 1.00 0.66 H new ATOM 0 HA LEU A 81 11.675 15.531 5.451 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.529 12.635 5.022 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.379 13.188 6.223 1.00 0.70 H new ATOM 0 HG LEU A 81 10.920 13.575 3.254 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.517 11.571 3.352 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.220 11.190 3.701 1.00 1.16 H new ATOM 0 HD13 LEU A 81 10.039 11.282 5.029 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.582 13.795 4.002 1.00 1.08 H new ATOM 0 HD22 LEU A 81 9.098 13.553 5.688 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.629 14.997 4.793 1.00 1.08 H new ATOM 1175 N PRO A 82 13.127 14.874 7.511 1.00 0.78 N ATOM 1176 CA PRO A 82 14.012 14.605 8.634 1.00 0.84 C ATOM 1177 C PRO A 82 14.061 13.107 8.919 1.00 0.75 C ATOM 1178 O PRO A 82 13.234 12.352 8.401 1.00 0.70 O ATOM 1179 CB PRO A 82 13.331 15.345 9.780 1.00 0.95 C ATOM 1180 CG PRO A 82 11.880 15.255 9.451 1.00 0.91 C ATOM 1181 CD PRO A 82 11.788 15.300 7.956 1.00 0.82 C ATOM 0 HA PRO A 82 15.042 14.919 8.466 1.00 0.84 H new ATOM 0 HB2 PRO A 82 13.552 14.883 10.742 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.664 16.381 9.840 1.00 0.95 H new ATOM 0 HG2 PRO A 82 11.449 14.333 9.840 1.00 0.91 H new ATOM 0 HG3 PRO A 82 11.327 16.080 9.900 1.00 0.91 H new ATOM 0 HD2 PRO A 82 11.011 14.633 7.582 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.547 16.302 7.600 1.00 0.82 H new ATOM 1189 N ASN A 83 14.995 12.683 9.754 1.00 0.79 N ATOM 1190 CA ASN A 83 15.143 11.263 10.093 1.00 0.72 C ATOM 1191 C ASN A 83 13.913 10.731 10.821 1.00 0.65 C ATOM 1192 O ASN A 83 13.698 9.522 10.895 1.00 0.61 O ATOM 1193 CB ASN A 83 16.389 11.045 10.949 1.00 0.82 C ATOM 1194 CG ASN A 83 17.676 11.039 10.138 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.675 10.455 10.555 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.660 11.655 8.959 1.00 1.16 N ATOM 0 H ASN A 83 15.667 13.297 10.214 1.00 0.79 H new ATOM 0 HA ASN A 83 15.249 10.712 9.159 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.446 11.829 11.704 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.297 10.098 11.480 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.493 11.652 8.371 1.00 1.16 H new ATOM 0 HD22 ASN A 83 16.814 12.130 8.643 1.00 1.16 H new ATOM 1203 N THR A 84 13.115 11.644 11.355 1.00 0.67 N ATOM 1204 CA THR A 84 11.872 11.291 12.028 1.00 0.67 C ATOM 1205 C THR A 84 10.876 10.665 11.043 1.00 0.58 C ATOM 1206 O THR A 84 10.567 9.468 11.118 1.00 0.53 O ATOM 1207 CB THR A 84 11.242 12.543 12.672 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.279 13.400 13.177 1.00 1.11 O ATOM 1209 CG2 THR A 84 10.304 12.153 13.805 1.00 1.24 C ATOM 0 H THR A 84 13.309 12.645 11.335 1.00 0.67 H new ATOM 0 HA THR A 84 12.103 10.561 12.804 1.00 0.67 H new ATOM 0 HB THR A 84 10.666 13.071 11.912 1.00 0.77 H new ATOM 0 HG1 THR A 84 11.877 14.195 13.584 1.00 1.11 H new ATOM 0 HG21 THR A 84 9.871 13.052 14.245 1.00 1.24 H new ATOM 0 HG22 THR A 84 9.507 11.519 13.416 1.00 1.24 H new ATOM 0 HG23 THR A 84 10.861 11.608 14.567 1.00 1.24 H new ATOM 1217 N VAL A 85 10.391 11.484 10.108 1.00 0.59 N ATOM 1218 CA VAL A 85 9.440 11.042 9.093 1.00 0.55 C ATOM 1219 C VAL A 85 10.050 9.936 8.244 1.00 0.49 C ATOM 1220 O VAL A 85 9.419 8.920 7.985 1.00 0.45 O ATOM 1221 CB VAL A 85 9.006 12.209 8.182 1.00 0.60 C ATOM 1222 CG1 VAL A 85 7.928 11.753 7.217 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.513 13.386 9.015 1.00 0.72 C ATOM 0 H VAL A 85 10.647 12.469 10.035 1.00 0.59 H new ATOM 0 HA VAL A 85 8.559 10.662 9.610 1.00 0.55 H new ATOM 0 HB VAL A 85 9.872 12.536 7.606 1.00 0.60 H new ATOM 0 HG11 VAL A 85 7.632 12.587 6.581 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.313 10.943 6.597 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.063 11.400 7.778 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.212 14.199 8.354 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.660 13.073 9.618 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.314 13.729 9.670 1.00 0.72 H new ATOM 1233 N LEU A 86 11.298 10.146 7.851 1.00 0.50 N ATOM 1234 CA LEU A 86 12.042 9.190 7.046 1.00 0.50 C ATOM 1235 C LEU A 86 12.085 7.821 7.707 1.00 0.40 C ATOM 1236 O LEU A 86 11.759 6.810 7.085 1.00 0.38 O ATOM 1237 CB LEU A 86 13.461 9.706 6.872 1.00 0.62 C ATOM 1238 CG LEU A 86 14.378 8.836 6.037 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.032 8.984 4.577 1.00 1.45 C ATOM 1240 CD2 LEU A 86 15.823 9.208 6.292 1.00 1.34 C ATOM 0 H LEU A 86 11.825 10.988 8.083 1.00 0.50 H new ATOM 0 HA LEU A 86 11.545 9.083 6.082 1.00 0.50 H new ATOM 0 HB2 LEU A 86 13.415 10.695 6.417 1.00 0.62 H new ATOM 0 HB3 LEU A 86 13.907 9.830 7.859 1.00 0.62 H new ATOM 0 HG LEU A 86 14.242 7.792 6.320 1.00 0.72 H new ATOM 0 HD11 LEU A 86 14.694 8.356 3.981 1.00 1.45 H new ATOM 0 HD12 LEU A 86 12.999 8.678 4.415 1.00 1.45 H new ATOM 0 HD13 LEU A 86 14.153 10.025 4.278 1.00 1.45 H new ATOM 0 HD21 LEU A 86 16.474 8.577 5.687 1.00 1.34 H new ATOM 0 HD22 LEU A 86 15.982 10.253 6.026 1.00 1.34 H new ATOM 0 HD23 LEU A 86 16.055 9.063 7.347 1.00 1.34 H new ATOM 1252 N GLY A 87 12.486 7.803 8.974 1.00 0.39 N ATOM 1253 CA GLY A 87 12.599 6.563 9.702 1.00 0.39 C ATOM 1254 C GLY A 87 11.286 5.830 9.773 1.00 0.33 C ATOM 1255 O GLY A 87 11.234 4.611 9.571 1.00 0.37 O ATOM 0 H GLY A 87 12.735 8.635 9.509 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.344 5.928 9.223 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.956 6.766 10.712 1.00 0.39 H new ATOM 1259 N LYS A 88 10.206 6.559 10.037 1.00 0.34 N ATOM 1260 CA LYS A 88 8.917 5.909 10.158 1.00 0.37 C ATOM 1261 C LYS A 88 8.299 5.621 8.794 1.00 0.34 C ATOM 1262 O LYS A 88 7.396 4.797 8.690 1.00 0.41 O ATOM 1263 CB LYS A 88 7.952 6.684 11.064 1.00 0.49 C ATOM 1264 CG LYS A 88 7.438 8.000 10.510 1.00 0.65 C ATOM 1265 CD LYS A 88 6.279 8.510 11.358 1.00 0.98 C ATOM 1266 CE LYS A 88 5.760 9.860 10.885 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.532 10.263 11.627 1.00 1.66 N ATOM 0 H LYS A 88 10.200 7.571 10.167 1.00 0.34 H new ATOM 0 HA LYS A 88 9.098 4.950 10.643 1.00 0.37 H new ATOM 0 HB2 LYS A 88 7.097 6.045 11.283 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.453 6.881 12.012 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.241 8.737 10.498 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.112 7.867 9.478 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.467 7.783 11.332 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.601 8.592 12.396 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.533 10.616 11.021 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.543 9.814 9.818 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.340 11.271 11.459 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.725 9.697 11.296 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.673 10.103 12.645 1.00 1.66 H new ATOM 1281 N ILE A 89 8.798 6.263 7.740 1.00 0.30 N ATOM 1282 CA ILE A 89 8.373 5.906 6.395 1.00 0.31 C ATOM 1283 C ILE A 89 8.969 4.560 6.034 1.00 0.26 C ATOM 1284 O ILE A 89 8.276 3.678 5.538 1.00 0.28 O ATOM 1285 CB ILE A 89 8.773 6.960 5.334 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.923 8.219 5.486 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.642 6.394 3.925 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.105 9.215 4.363 1.00 1.15 C ATOM 0 H ILE A 89 9.483 7.017 7.791 1.00 0.30 H new ATOM 0 HA ILE A 89 7.284 5.862 6.394 1.00 0.31 H new ATOM 0 HB ILE A 89 9.818 7.224 5.496 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.873 7.933 5.539 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.170 8.702 6.431 1.00 0.71 H new ATOM 0 HG21 ILE A 89 8.929 7.155 3.199 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.294 5.527 3.819 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.609 6.095 3.748 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.470 10.083 4.540 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.147 9.531 4.322 1.00 1.15 H new ATOM 0 HD13 ILE A 89 7.829 8.750 3.416 1.00 1.15 H new ATOM 1300 N TRP A 90 10.259 4.407 6.311 1.00 0.24 N ATOM 1301 CA TRP A 90 10.940 3.136 6.084 1.00 0.22 C ATOM 1302 C TRP A 90 10.243 1.995 6.825 1.00 0.23 C ATOM 1303 O TRP A 90 9.884 0.984 6.229 1.00 0.25 O ATOM 1304 CB TRP A 90 12.395 3.212 6.543 1.00 0.22 C ATOM 1305 CG TRP A 90 13.145 1.924 6.350 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.438 0.992 7.307 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.684 1.421 5.122 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.134 -0.054 6.749 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.295 0.185 5.410 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.707 1.891 3.808 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.932 -0.577 4.435 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.340 1.135 2.845 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.939 -0.088 3.159 1.00 0.30 C ATOM 0 H TRP A 90 10.853 5.144 6.692 1.00 0.24 H new ATOM 0 HA TRP A 90 10.906 2.938 5.013 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.901 4.006 5.994 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.423 3.486 7.598 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.163 1.067 8.349 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.475 -0.874 7.250 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.238 2.829 3.551 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.403 -1.518 4.677 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.374 1.495 1.827 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.417 -0.659 2.377 1.00 0.30 H new ATOM 1324 N LYS A 91 10.044 2.178 8.129 1.00 0.26 N ATOM 1325 CA LYS A 91 9.495 1.123 8.972 1.00 0.30 C ATOM 1326 C LYS A 91 8.004 0.905 8.723 1.00 0.31 C ATOM 1327 O LYS A 91 7.440 -0.097 9.165 1.00 0.42 O ATOM 1328 CB LYS A 91 9.758 1.432 10.446 1.00 0.40 C ATOM 1329 CG LYS A 91 9.009 2.642 10.980 1.00 1.08 C ATOM 1330 CD LYS A 91 9.367 2.940 12.432 1.00 1.26 C ATOM 1331 CE LYS A 91 10.718 3.643 12.570 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.872 2.723 12.379 1.00 2.54 N ATOM 0 H LYS A 91 10.255 3.046 8.622 1.00 0.26 H new ATOM 0 HA LYS A 91 10.002 0.195 8.708 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.486 0.560 11.041 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.827 1.592 10.585 1.00 0.40 H new ATOM 0 HG2 LYS A 91 9.239 3.511 10.364 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.936 2.469 10.899 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.590 3.564 12.874 1.00 1.26 H new ATOM 0 HD3 LYS A 91 9.387 2.008 12.997 1.00 1.26 H new ATOM 0 HE2 LYS A 91 10.778 4.450 11.840 1.00 2.03 H new ATOM 0 HE3 LYS A 91 10.784 4.101 13.557 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 12.611 2.943 13.077 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.557 1.740 12.506 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 12.256 2.842 11.420 1.00 2.54 H new ATOM 1346 N LEU A 92 7.358 1.840 8.041 1.00 0.27 N ATOM 1347 CA LEU A 92 5.956 1.667 7.689 1.00 0.33 C ATOM 1348 C LEU A 92 5.826 1.051 6.294 1.00 0.34 C ATOM 1349 O LEU A 92 4.814 0.431 5.974 1.00 0.47 O ATOM 1350 CB LEU A 92 5.213 3.004 7.744 1.00 0.37 C ATOM 1351 CG LEU A 92 3.690 2.906 7.885 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.323 2.351 9.249 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.038 4.266 7.690 1.00 0.61 C ATOM 0 H LEU A 92 7.775 2.715 7.724 1.00 0.27 H new ATOM 0 HA LEU A 92 5.506 0.991 8.416 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.602 3.582 8.582 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.441 3.564 6.837 1.00 0.37 H new ATOM 0 HG LEU A 92 3.322 2.231 7.112 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.238 2.287 9.336 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.756 1.358 9.366 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.711 3.010 10.026 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.957 4.170 7.795 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.415 4.961 8.440 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.274 4.643 6.695 1.00 0.61 H new ATOM 1365 N ALA A 93 6.857 1.227 5.464 1.00 0.30 N ATOM 1366 CA ALA A 93 6.845 0.699 4.104 1.00 0.37 C ATOM 1367 C ALA A 93 7.400 -0.723 4.054 1.00 0.37 C ATOM 1368 O ALA A 93 6.846 -1.594 3.378 1.00 0.45 O ATOM 1369 CB ALA A 93 7.651 1.606 3.183 1.00 0.43 C ATOM 0 H ALA A 93 7.708 1.731 5.713 1.00 0.30 H new ATOM 0 HA ALA A 93 5.809 0.669 3.765 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.636 1.203 2.170 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.214 2.605 3.183 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.681 1.661 3.536 1.00 0.43 H new ATOM 1375 N ASP A 94 8.490 -0.958 4.774 1.00 0.32 N ATOM 1376 CA ASP A 94 9.104 -2.279 4.802 1.00 0.38 C ATOM 1377 C ASP A 94 8.552 -3.076 5.967 1.00 0.45 C ATOM 1378 O ASP A 94 8.887 -2.825 7.121 1.00 0.49 O ATOM 1379 CB ASP A 94 10.627 -2.184 4.910 1.00 0.35 C ATOM 1380 CG ASP A 94 11.312 -3.523 4.701 1.00 0.47 C ATOM 1381 OD1 ASP A 94 10.619 -4.529 4.414 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.544 -3.588 4.823 1.00 0.62 O ATOM 0 H ASP A 94 8.964 -0.256 5.343 1.00 0.32 H new ATOM 0 HA ASP A 94 8.864 -2.784 3.866 1.00 0.38 H new ATOM 0 HB2 ASP A 94 10.996 -1.472 4.172 1.00 0.35 H new ATOM 0 HB3 ASP A 94 10.894 -1.793 5.892 1.00 0.35 H new ATOM 1387 N VAL A 95 7.691 -4.027 5.651 1.00 0.64 N ATOM 1388 CA VAL A 95 7.022 -4.819 6.668 1.00 0.79 C ATOM 1389 C VAL A 95 7.977 -5.812 7.310 1.00 0.74 C ATOM 1390 O VAL A 95 7.816 -6.191 8.468 1.00 0.88 O ATOM 1391 CB VAL A 95 5.804 -5.564 6.082 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.002 -6.251 7.178 1.00 1.76 C ATOM 1393 CG2 VAL A 95 4.927 -4.603 5.289 1.00 1.57 C ATOM 0 H VAL A 95 7.438 -4.270 4.693 1.00 0.64 H new ATOM 0 HA VAL A 95 6.672 -4.129 7.436 1.00 0.79 H new ATOM 0 HB VAL A 95 6.170 -6.337 5.406 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.150 -6.768 6.736 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.635 -6.972 7.695 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.645 -5.506 7.889 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.072 -5.143 4.882 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.575 -3.807 5.945 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.506 -4.171 4.473 1.00 1.57 H new ATOM 1403 N ASP A 96 8.985 -6.214 6.562 1.00 0.68 N ATOM 1404 CA ASP A 96 9.959 -7.161 7.073 1.00 0.73 C ATOM 1405 C ASP A 96 11.075 -6.414 7.783 1.00 0.60 C ATOM 1406 O ASP A 96 11.717 -6.945 8.692 1.00 0.68 O ATOM 1407 CB ASP A 96 10.588 -7.948 5.937 1.00 0.94 C ATOM 1408 CG ASP A 96 9.748 -7.993 4.685 1.00 1.04 C ATOM 1409 OD1 ASP A 96 9.876 -7.057 3.859 1.00 1.40 O ATOM 1410 OD2 ASP A 96 8.975 -8.947 4.503 1.00 1.70 O ATOM 0 H ASP A 96 9.152 -5.903 5.605 1.00 0.68 H new ATOM 0 HA ASP A 96 9.443 -7.836 7.756 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.557 -7.509 5.697 1.00 0.94 H new ATOM 0 HB3 ASP A 96 10.775 -8.968 6.274 1.00 0.94 H new ATOM 1415 N LYS A 97 11.275 -5.166 7.359 1.00 0.48 N ATOM 1416 CA LYS A 97 12.325 -4.306 7.891 1.00 0.46 C ATOM 1417 C LYS A 97 13.681 -4.953 7.644 1.00 0.46 C ATOM 1418 O LYS A 97 14.465 -5.199 8.563 1.00 0.70 O ATOM 1419 CB LYS A 97 12.070 -4.016 9.373 1.00 0.59 C ATOM 1420 CG LYS A 97 10.670 -3.470 9.607 1.00 0.67 C ATOM 1421 CD LYS A 97 10.379 -3.186 11.068 1.00 0.82 C ATOM 1422 CE LYS A 97 8.905 -2.865 11.264 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.566 -2.577 12.683 1.00 1.74 N ATOM 0 H LYS A 97 10.710 -4.724 6.634 1.00 0.48 H new ATOM 0 HA LYS A 97 12.321 -3.344 7.378 1.00 0.46 H new ATOM 0 HB2 LYS A 97 12.205 -4.930 9.951 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.806 -3.298 9.735 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.544 -2.552 9.032 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.940 -4.186 9.230 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.653 -4.049 11.674 1.00 0.82 H new ATOM 0 HD3 LYS A 97 10.988 -2.350 11.411 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.639 -2.005 10.649 1.00 1.34 H new ATOM 0 HE3 LYS A 97 8.304 -3.705 10.914 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.551 -2.365 12.761 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.793 -3.406 13.269 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 9.117 -1.759 13.012 1.00 1.74 H new ATOM 1437 N ASP A 98 13.945 -5.183 6.363 1.00 0.35 N ATOM 1438 CA ASP A 98 15.078 -5.976 5.911 1.00 0.43 C ATOM 1439 C ASP A 98 16.346 -5.150 5.843 1.00 0.39 C ATOM 1440 O ASP A 98 17.444 -5.646 6.101 1.00 0.63 O ATOM 1441 CB ASP A 98 14.830 -6.522 4.497 1.00 0.69 C ATOM 1442 CG ASP A 98 13.488 -7.195 4.308 1.00 0.72 C ATOM 1443 OD1 ASP A 98 13.386 -8.401 4.585 1.00 1.51 O ATOM 1444 OD2 ASP A 98 12.535 -6.520 3.835 1.00 1.35 O ATOM 0 H ASP A 98 13.371 -4.819 5.602 1.00 0.35 H new ATOM 0 HA ASP A 98 15.192 -6.785 6.632 1.00 0.43 H new ATOM 0 HB2 ASP A 98 14.913 -5.701 3.785 1.00 0.69 H new ATOM 0 HB3 ASP A 98 15.617 -7.236 4.254 1.00 0.69 H new ATOM 1449 N GLY A 99 16.185 -3.894 5.475 1.00 0.29 N ATOM 1450 CA GLY A 99 17.321 -3.100 5.057 1.00 0.29 C ATOM 1451 C GLY A 99 17.410 -3.084 3.547 1.00 0.24 C ATOM 1452 O GLY A 99 18.457 -2.784 2.969 1.00 0.27 O ATOM 0 H GLY A 99 15.289 -3.407 5.457 1.00 0.29 H new ATOM 0 HA2 GLY A 99 17.223 -2.082 5.435 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.238 -3.510 5.480 1.00 0.29 H new ATOM 1456 N LEU A 100 16.304 -3.471 2.919 1.00 0.23 N ATOM 1457 CA LEU A 100 16.144 -3.434 1.476 1.00 0.21 C ATOM 1458 C LEU A 100 14.657 -3.291 1.160 1.00 0.24 C ATOM 1459 O LEU A 100 13.837 -3.311 2.076 1.00 0.38 O ATOM 1460 CB LEU A 100 16.751 -4.689 0.823 1.00 0.27 C ATOM 1461 CG LEU A 100 16.247 -6.040 1.341 1.00 0.39 C ATOM 1462 CD1 LEU A 100 14.910 -6.405 0.713 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.280 -7.117 1.067 1.00 0.54 C ATOM 0 H LEU A 100 15.483 -3.824 3.410 1.00 0.23 H new ATOM 0 HA LEU A 100 16.680 -2.580 1.062 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.560 -4.642 -0.249 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.832 -4.654 0.956 1.00 0.27 H new ATOM 0 HG LEU A 100 16.095 -5.961 2.418 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.577 -7.368 1.099 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.172 -5.641 0.958 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.021 -6.467 -0.370 1.00 0.41 H new ATOM 0 HD21 LEU A 100 16.915 -8.075 1.438 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.456 -7.187 -0.006 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.212 -6.864 1.572 1.00 0.54 H new ATOM 1475 N LEU A 101 14.303 -3.177 -0.115 1.00 0.20 N ATOM 1476 CA LEU A 101 12.932 -2.948 -0.516 1.00 0.20 C ATOM 1477 C LEU A 101 12.762 -3.548 -1.888 1.00 0.17 C ATOM 1478 O LEU A 101 13.468 -3.173 -2.814 1.00 0.18 O ATOM 1479 CB LEU A 101 12.583 -1.454 -0.578 1.00 0.24 C ATOM 1480 CG LEU A 101 12.422 -0.729 0.760 1.00 0.26 C ATOM 1481 CD1 LEU A 101 12.064 0.728 0.524 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.349 -1.384 1.604 1.00 0.58 C ATOM 0 H LEU A 101 14.960 -3.241 -0.892 1.00 0.20 H new ATOM 0 HA LEU A 101 12.269 -3.403 0.220 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.361 -0.946 -1.148 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.654 -1.345 -1.138 1.00 0.24 H new ATOM 0 HG LEU A 101 13.370 -0.789 1.294 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.952 1.235 1.482 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.856 1.209 -0.050 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.127 0.787 -0.030 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.254 -0.850 2.550 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.398 -1.353 1.072 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.622 -2.421 1.799 1.00 0.58 H new ATOM 1494 N ASP A 102 11.873 -4.486 -2.038 1.00 0.16 N ATOM 1495 CA ASP A 102 11.679 -5.081 -3.341 1.00 0.17 C ATOM 1496 C ASP A 102 10.789 -4.188 -4.200 1.00 0.16 C ATOM 1497 O ASP A 102 10.443 -3.088 -3.786 1.00 0.16 O ATOM 1498 CB ASP A 102 11.150 -6.504 -3.219 1.00 0.25 C ATOM 1499 CG ASP A 102 9.733 -6.602 -2.673 1.00 0.77 C ATOM 1500 OD1 ASP A 102 8.823 -5.968 -3.236 1.00 1.40 O ATOM 1501 OD2 ASP A 102 9.533 -7.330 -1.680 1.00 1.50 O ATOM 0 H ASP A 102 11.279 -4.854 -1.295 1.00 0.16 H new ATOM 0 HA ASP A 102 12.642 -5.157 -3.847 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.182 -6.976 -4.201 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.817 -7.072 -2.570 1.00 0.25 H new ATOM 1506 N ASP A 103 10.445 -4.637 -5.398 1.00 0.18 N ATOM 1507 CA ASP A 103 9.691 -3.806 -6.340 1.00 0.19 C ATOM 1508 C ASP A 103 8.358 -3.344 -5.747 1.00 0.16 C ATOM 1509 O ASP A 103 7.905 -2.225 -6.012 1.00 0.17 O ATOM 1510 CB ASP A 103 9.462 -4.558 -7.656 1.00 0.28 C ATOM 1511 CG ASP A 103 8.863 -5.939 -7.463 1.00 0.97 C ATOM 1512 OD1 ASP A 103 9.551 -6.819 -6.902 1.00 1.73 O ATOM 1513 OD2 ASP A 103 7.705 -6.161 -7.895 1.00 1.65 O ATOM 0 H ASP A 103 10.673 -5.569 -5.745 1.00 0.18 H new ATOM 0 HA ASP A 103 10.287 -2.916 -6.543 1.00 0.19 H new ATOM 0 HB2 ASP A 103 8.802 -3.969 -8.293 1.00 0.28 H new ATOM 0 HB3 ASP A 103 10.412 -4.652 -8.182 1.00 0.28 H new ATOM 1518 N GLU A 104 7.760 -4.170 -4.904 1.00 0.18 N ATOM 1519 CA GLU A 104 6.496 -3.824 -4.283 1.00 0.23 C ATOM 1520 C GLU A 104 6.742 -3.037 -3.003 1.00 0.19 C ATOM 1521 O GLU A 104 5.914 -2.228 -2.579 1.00 0.22 O ATOM 1522 CB GLU A 104 5.695 -5.072 -3.954 1.00 0.33 C ATOM 1523 CG GLU A 104 4.231 -4.772 -3.732 1.00 0.65 C ATOM 1524 CD GLU A 104 3.456 -4.724 -5.029 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.227 -5.801 -5.620 1.00 1.68 O ATOM 1526 OE2 GLU A 104 3.100 -3.616 -5.469 1.00 2.14 O ATOM 0 H GLU A 104 8.130 -5.082 -4.636 1.00 0.18 H new ATOM 0 HA GLU A 104 5.929 -3.215 -4.988 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.797 -5.791 -4.767 1.00 0.33 H new ATOM 0 HB3 GLU A 104 6.107 -5.540 -3.060 1.00 0.33 H new ATOM 0 HG2 GLU A 104 3.800 -5.533 -3.081 1.00 0.65 H new ATOM 0 HG3 GLU A 104 4.132 -3.817 -3.215 1.00 0.65 H new ATOM 1533 N GLU A 105 7.882 -3.280 -2.383 1.00 0.18 N ATOM 1534 CA GLU A 105 8.242 -2.566 -1.175 1.00 0.17 C ATOM 1535 C GLU A 105 8.672 -1.140 -1.501 1.00 0.17 C ATOM 1536 O GLU A 105 8.512 -0.234 -0.685 1.00 0.22 O ATOM 1537 CB GLU A 105 9.320 -3.320 -0.406 1.00 0.19 C ATOM 1538 CG GLU A 105 8.796 -3.842 0.924 1.00 0.26 C ATOM 1539 CD GLU A 105 9.471 -5.106 1.413 1.00 0.40 C ATOM 1540 OE1 GLU A 105 10.660 -5.060 1.804 1.00 0.81 O ATOM 1541 OE2 GLU A 105 8.799 -6.152 1.459 1.00 1.11 O ATOM 0 H GLU A 105 8.571 -3.964 -2.695 1.00 0.18 H new ATOM 0 HA GLU A 105 7.364 -2.504 -0.532 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.682 -4.154 -1.008 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.170 -2.661 -0.230 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.918 -3.065 1.678 1.00 0.26 H new ATOM 0 HG3 GLU A 105 7.726 -4.030 0.830 1.00 0.26 H new ATOM 1548 N PHE A 106 9.198 -0.941 -2.704 1.00 0.16 N ATOM 1549 CA PHE A 106 9.430 0.399 -3.216 1.00 0.16 C ATOM 1550 C PHE A 106 8.079 0.985 -3.586 1.00 0.16 C ATOM 1551 O PHE A 106 7.822 2.167 -3.373 1.00 0.18 O ATOM 1552 CB PHE A 106 10.370 0.380 -4.439 1.00 0.19 C ATOM 1553 CG PHE A 106 10.854 1.747 -4.920 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.115 2.905 -4.726 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.068 1.862 -5.573 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.579 4.130 -5.171 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.533 3.082 -6.015 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.786 4.214 -5.811 1.00 0.28 C ATOM 0 H PHE A 106 9.470 -1.691 -3.340 1.00 0.16 H new ATOM 0 HA PHE A 106 9.919 1.008 -2.456 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.241 -0.229 -4.196 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.855 -0.114 -5.263 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.163 2.849 -4.220 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.664 0.977 -5.740 1.00 1.04 H new ATOM 0 HE1 PHE A 106 9.989 5.020 -5.013 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.485 3.146 -6.521 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.150 5.171 -6.155 1.00 0.28 H new ATOM 1568 N ALA A 107 7.193 0.133 -4.096 1.00 0.16 N ATOM 1569 CA ALA A 107 5.857 0.569 -4.452 1.00 0.16 C ATOM 1570 C ALA A 107 5.168 1.199 -3.247 1.00 0.16 C ATOM 1571 O ALA A 107 4.580 2.275 -3.342 1.00 0.18 O ATOM 1572 CB ALA A 107 5.051 -0.595 -4.987 1.00 0.19 C ATOM 0 H ALA A 107 7.379 -0.855 -4.269 1.00 0.16 H new ATOM 0 HA ALA A 107 5.929 1.323 -5.236 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.050 -0.254 -5.250 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.541 -1.000 -5.872 1.00 0.19 H new ATOM 0 HB3 ALA A 107 4.981 -1.370 -4.224 1.00 0.19 H new ATOM 1578 N LEU A 108 5.275 0.535 -2.106 1.00 0.18 N ATOM 1579 CA LEU A 108 4.715 1.052 -0.870 1.00 0.22 C ATOM 1580 C LEU A 108 5.526 2.250 -0.382 1.00 0.19 C ATOM 1581 O LEU A 108 4.955 3.290 -0.050 1.00 0.20 O ATOM 1582 CB LEU A 108 4.695 -0.044 0.193 1.00 0.34 C ATOM 1583 CG LEU A 108 3.656 0.133 1.304 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.635 -1.084 2.189 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.924 1.364 2.143 1.00 1.23 C ATOM 0 H LEU A 108 5.746 -0.365 -2.012 1.00 0.18 H new ATOM 0 HA LEU A 108 3.692 1.379 -1.056 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.516 -1.000 -0.299 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.683 -0.101 0.650 1.00 0.34 H new ATOM 0 HG LEU A 108 2.686 0.261 0.824 1.00 0.52 H new ATOM 0 HD11 LEU A 108 2.893 -0.949 2.976 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.378 -1.961 1.595 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.618 -1.225 2.638 1.00 1.22 H new ATOM 0 HD21 LEU A 108 3.162 1.449 2.918 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.907 1.281 2.607 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.896 2.250 1.508 1.00 1.23 H new ATOM 1597 N ALA A 109 6.850 2.093 -0.347 1.00 0.19 N ATOM 1598 CA ALA A 109 7.755 3.158 0.096 1.00 0.19 C ATOM 1599 C ALA A 109 7.394 4.491 -0.551 1.00 0.19 C ATOM 1600 O ALA A 109 7.107 5.475 0.135 1.00 0.20 O ATOM 1601 CB ALA A 109 9.193 2.800 -0.237 1.00 0.22 C ATOM 0 H ALA A 109 7.323 1.232 -0.622 1.00 0.19 H new ATOM 0 HA ALA A 109 7.649 3.259 1.176 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.854 3.600 0.098 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.463 1.872 0.267 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.296 2.671 -1.314 1.00 0.22 H new ATOM 1607 N ASN A 110 7.368 4.496 -1.876 1.00 0.19 N ATOM 1608 CA ASN A 110 7.103 5.703 -2.637 1.00 0.19 C ATOM 1609 C ASN A 110 5.629 6.078 -2.541 1.00 0.20 C ATOM 1610 O ASN A 110 5.267 7.246 -2.686 1.00 0.23 O ATOM 1611 CB ASN A 110 7.507 5.522 -4.098 1.00 0.21 C ATOM 1612 CG ASN A 110 7.624 6.845 -4.837 1.00 0.29 C ATOM 1613 OD1 ASN A 110 6.653 7.354 -5.400 1.00 1.18 O ATOM 1614 ND2 ASN A 110 8.822 7.408 -4.852 1.00 1.11 N ATOM 0 H ASN A 110 7.529 3.668 -2.449 1.00 0.19 H new ATOM 0 HA ASN A 110 7.699 6.511 -2.213 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.461 4.997 -4.146 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.772 4.893 -4.600 1.00 0.21 H new ATOM 0 HD21 ASN A 110 8.964 8.292 -5.341 1.00 1.11 H new ATOM 0 HD22 ASN A 110 9.603 6.958 -4.375 1.00 1.11 H new ATOM 1621 N HIS A 111 4.770 5.094 -2.261 1.00 0.23 N ATOM 1622 CA HIS A 111 3.347 5.370 -2.171 1.00 0.25 C ATOM 1623 C HIS A 111 3.073 6.200 -0.930 1.00 0.24 C ATOM 1624 O HIS A 111 2.295 7.144 -0.966 1.00 0.26 O ATOM 1625 CB HIS A 111 2.525 4.083 -2.127 1.00 0.30 C ATOM 1626 CG HIS A 111 1.054 4.312 -2.314 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.499 4.627 -3.534 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.024 4.269 -1.437 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.805 4.766 -3.404 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -1.124 4.556 -2.140 1.00 0.47 N ATOM 0 H HIS A 111 5.034 4.122 -2.097 1.00 0.23 H new ATOM 0 HA HIS A 111 3.050 5.922 -3.063 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.882 3.405 -2.903 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.690 3.587 -1.170 1.00 0.30 H new ATOM 0 HD1 HIS A 111 1.018 4.736 -4.405 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.091 4.050 -0.382 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.496 5.010 -4.197 1.00 0.49 H new ATOM 1639 N LEU A 112 3.728 5.846 0.167 1.00 0.25 N ATOM 1640 CA LEU A 112 3.593 6.590 1.407 1.00 0.28 C ATOM 1641 C LEU A 112 4.339 7.920 1.315 1.00 0.25 C ATOM 1642 O LEU A 112 3.976 8.890 1.981 1.00 0.27 O ATOM 1643 CB LEU A 112 4.092 5.761 2.594 1.00 0.35 C ATOM 1644 CG LEU A 112 3.157 4.629 3.046 1.00 0.44 C ATOM 1645 CD1 LEU A 112 3.727 3.944 4.276 1.00 0.55 C ATOM 1646 CD2 LEU A 112 1.761 5.166 3.332 1.00 0.54 C ATOM 0 H LEU A 112 4.359 5.046 0.221 1.00 0.25 H new ATOM 0 HA LEU A 112 2.536 6.803 1.569 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.058 5.329 2.333 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.259 6.430 3.438 1.00 0.35 H new ATOM 0 HG LEU A 112 3.080 3.898 2.241 1.00 0.44 H new ATOM 0 HD11 LEU A 112 3.058 3.143 4.589 1.00 0.55 H new ATOM 0 HD12 LEU A 112 4.706 3.527 4.039 1.00 0.55 H new ATOM 0 HD13 LEU A 112 3.827 4.670 5.083 1.00 0.55 H new ATOM 0 HD21 LEU A 112 1.115 4.348 3.651 1.00 0.54 H new ATOM 0 HD22 LEU A 112 1.814 5.915 4.122 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.353 5.620 2.429 1.00 0.54 H new ATOM 1658 N ILE A 113 5.377 7.961 0.485 1.00 0.26 N ATOM 1659 CA ILE A 113 6.060 9.213 0.182 1.00 0.26 C ATOM 1660 C ILE A 113 5.108 10.212 -0.472 1.00 0.26 C ATOM 1661 O ILE A 113 5.086 11.388 -0.107 1.00 0.32 O ATOM 1662 CB ILE A 113 7.283 8.982 -0.733 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.372 8.227 0.032 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.827 10.303 -1.266 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.596 7.889 -0.799 1.00 0.81 C ATOM 0 H ILE A 113 5.762 7.144 0.012 1.00 0.26 H new ATOM 0 HA ILE A 113 6.410 9.625 1.129 1.00 0.26 H new ATOM 0 HB ILE A 113 6.965 8.382 -1.586 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.682 8.827 0.887 1.00 0.28 H new ATOM 0 HG13 ILE A 113 7.949 7.304 0.427 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.687 10.110 -1.907 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.052 10.810 -1.841 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.131 10.935 -0.431 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.319 7.355 -0.182 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.303 7.261 -1.640 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.047 8.808 -1.173 1.00 0.81 H new ATOM 1677 N LYS A 114 4.324 9.762 -1.442 1.00 0.25 N ATOM 1678 CA LYS A 114 3.325 10.650 -2.037 1.00 0.31 C ATOM 1679 C LYS A 114 2.122 10.845 -1.107 1.00 0.32 C ATOM 1680 O LYS A 114 1.402 11.832 -1.228 1.00 0.41 O ATOM 1681 CB LYS A 114 2.885 10.195 -3.442 1.00 0.45 C ATOM 1682 CG LYS A 114 2.410 8.758 -3.544 1.00 0.86 C ATOM 1683 CD LYS A 114 1.883 8.449 -4.943 1.00 1.30 C ATOM 1684 CE LYS A 114 2.935 8.699 -6.019 1.00 1.59 C ATOM 1685 NZ LYS A 114 2.387 8.511 -7.393 1.00 2.22 N ATOM 0 H LYS A 114 4.354 8.818 -1.827 1.00 0.25 H new ATOM 0 HA LYS A 114 3.809 11.618 -2.164 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.083 10.850 -3.782 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.721 10.333 -4.128 1.00 0.45 H new ATOM 0 HG2 LYS A 114 3.232 8.083 -3.305 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.625 8.578 -2.809 1.00 0.86 H new ATOM 0 HD2 LYS A 114 1.560 7.409 -4.987 1.00 1.30 H new ATOM 0 HD3 LYS A 114 1.006 9.064 -5.144 1.00 1.30 H new ATOM 0 HE2 LYS A 114 3.322 9.713 -5.919 1.00 1.59 H new ATOM 0 HE3 LYS A 114 3.775 8.021 -5.868 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 3.014 8.972 -8.083 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 2.326 7.495 -7.606 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 1.439 8.934 -7.450 1.00 2.22 H new ATOM 1699 N VAL A 115 1.920 9.920 -0.170 1.00 0.30 N ATOM 1700 CA VAL A 115 0.883 10.075 0.856 1.00 0.35 C ATOM 1701 C VAL A 115 1.240 11.206 1.818 1.00 0.35 C ATOM 1702 O VAL A 115 0.388 12.024 2.163 1.00 0.42 O ATOM 1703 CB VAL A 115 0.641 8.758 1.643 1.00 0.41 C ATOM 1704 CG1 VAL A 115 -0.177 9.005 2.901 1.00 0.49 C ATOM 1705 CG2 VAL A 115 -0.065 7.733 0.766 1.00 0.47 C ATOM 0 H VAL A 115 2.458 9.056 -0.098 1.00 0.30 H new ATOM 0 HA VAL A 115 -0.044 10.326 0.340 1.00 0.35 H new ATOM 0 HB VAL A 115 1.616 8.369 1.937 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -0.328 8.063 3.428 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.354 9.702 3.549 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -1.144 9.427 2.629 1.00 0.49 H new ATOM 0 HG21 VAL A 115 -0.226 6.817 1.334 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -1.026 8.132 0.441 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.551 7.515 -0.107 1.00 0.47 H new ATOM 1715 N LYS A 116 2.497 11.276 2.239 1.00 0.35 N ATOM 1716 CA LYS A 116 2.933 12.391 3.070 1.00 0.45 C ATOM 1717 C LYS A 116 2.942 13.669 2.235 1.00 0.48 C ATOM 1718 O LYS A 116 2.752 14.772 2.750 1.00 0.63 O ATOM 1719 CB LYS A 116 4.323 12.157 3.664 1.00 0.59 C ATOM 1720 CG LYS A 116 5.407 12.147 2.615 1.00 0.77 C ATOM 1721 CD LYS A 116 6.781 12.375 3.192 1.00 0.79 C ATOM 1722 CE LYS A 116 7.778 12.622 2.070 1.00 1.68 C ATOM 1723 NZ LYS A 116 7.606 13.979 1.476 1.00 1.91 N ATOM 0 H LYS A 116 3.220 10.589 2.024 1.00 0.35 H new ATOM 0 HA LYS A 116 2.232 12.483 3.900 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.537 12.936 4.396 1.00 0.59 H new ATOM 0 HB3 LYS A 116 4.331 11.207 4.198 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.392 11.191 2.092 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.196 12.918 1.874 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.764 13.229 3.870 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.087 11.509 3.779 1.00 0.79 H new ATOM 0 HE2 LYS A 116 8.793 12.518 2.454 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.651 11.866 1.295 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 8.525 14.329 1.137 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.940 13.927 0.679 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 7.233 14.629 2.197 1.00 1.91 H new ATOM 1737 N LEU A 117 3.152 13.501 0.931 1.00 0.43 N ATOM 1738 CA LEU A 117 3.204 14.615 -0.002 1.00 0.53 C ATOM 1739 C LEU A 117 1.819 15.232 -0.165 1.00 0.60 C ATOM 1740 O LEU A 117 1.684 16.411 -0.494 1.00 0.73 O ATOM 1741 CB LEU A 117 3.754 14.124 -1.345 1.00 0.54 C ATOM 1742 CG LEU A 117 4.146 15.209 -2.351 1.00 0.68 C ATOM 1743 CD1 LEU A 117 5.304 14.730 -3.213 1.00 1.28 C ATOM 1744 CD2 LEU A 117 2.959 15.581 -3.230 1.00 1.17 C ATOM 0 H LEU A 117 3.290 12.589 0.496 1.00 0.43 H new ATOM 0 HA LEU A 117 3.867 15.388 0.386 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.629 13.504 -1.151 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.005 13.482 -1.808 1.00 0.54 H new ATOM 0 HG LEU A 117 4.458 16.095 -1.798 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.574 15.510 -3.925 1.00 1.28 H new ATOM 0 HD12 LEU A 117 6.161 14.505 -2.578 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.007 13.832 -3.754 1.00 1.28 H new ATOM 0 HD21 LEU A 117 3.259 16.354 -3.938 1.00 1.17 H new ATOM 0 HD22 LEU A 117 2.620 14.700 -3.776 1.00 1.17 H new ATOM 0 HD23 LEU A 117 2.148 15.956 -2.606 1.00 1.17 H new ATOM 1756 N GLU A 118 0.796 14.426 0.105 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.591 14.879 0.090 1.00 0.70 C ATOM 1758 C GLU A 118 -0.814 16.017 1.085 1.00 0.79 C ATOM 1759 O GLU A 118 -1.850 16.682 1.062 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.522 13.717 0.433 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.595 12.643 -0.638 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.612 12.966 -1.707 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -2.279 13.708 -2.649 1.00 1.99 O ATOM 1764 OE2 GLU A 118 -3.763 12.485 -1.601 1.00 1.78 O ATOM 0 H GLU A 118 0.906 13.440 0.341 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.812 15.248 -0.912 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.189 13.262 1.366 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.524 14.108 0.609 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -0.614 12.524 -1.098 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -1.848 11.689 -0.176 1.00 0.78 H new ATOM 1771 N GLY A 119 0.154 16.225 1.969 1.00 0.75 N ATOM 1772 CA GLY A 119 0.060 17.294 2.934 1.00 0.86 C ATOM 1773 C GLY A 119 -0.199 16.776 4.323 1.00 0.87 C ATOM 1774 O GLY A 119 -0.465 17.550 5.244 1.00 1.01 O ATOM 0 H GLY A 119 1.005 15.667 2.032 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.985 17.870 2.928 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.741 17.974 2.645 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.119 15.465 4.480 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.332 14.845 5.773 1.00 0.84 C ATOM 1780 C HIS A 120 0.700 13.745 6.001 1.00 0.81 C ATOM 1781 O HIS A 120 0.984 12.955 5.106 1.00 0.84 O ATOM 1782 CB HIS A 120 -1.770 14.302 5.883 1.00 0.86 C ATOM 1783 CG HIS A 120 -1.944 12.866 5.473 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.103 11.855 6.391 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.002 12.273 4.253 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.246 10.710 5.763 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.194 10.930 4.462 1.00 0.87 N ATOM 0 H HIS A 120 0.092 14.811 3.726 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.205 15.596 6.553 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.105 14.412 6.914 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.423 14.921 5.268 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.109 11.975 7.404 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -1.914 12.766 3.296 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.383 9.748 6.233 1.00 0.83 H new ATOM 1796 N GLU A 121 1.270 13.719 7.189 1.00 0.93 N ATOM 1797 CA GLU A 121 2.277 12.725 7.541 1.00 1.01 C ATOM 1798 C GLU A 121 1.654 11.343 7.719 1.00 0.79 C ATOM 1799 O GLU A 121 0.437 11.207 7.844 1.00 0.71 O ATOM 1800 CB GLU A 121 3.000 13.130 8.825 1.00 1.31 C ATOM 1801 CG GLU A 121 2.069 13.309 10.011 1.00 1.55 C ATOM 1802 CD GLU A 121 2.821 13.470 11.314 1.00 2.15 C ATOM 1803 OE1 GLU A 121 3.152 14.610 11.679 1.00 2.52 O ATOM 1804 OE2 GLU A 121 3.088 12.444 11.978 1.00 2.75 O ATOM 0 H GLU A 121 1.054 14.379 7.936 1.00 0.93 H new ATOM 0 HA GLU A 121 2.994 12.678 6.721 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.745 12.372 9.068 1.00 1.31 H new ATOM 0 HB3 GLU A 121 3.538 14.062 8.651 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.440 14.184 9.847 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.405 12.448 10.082 1.00 1.55 H new ATOM 1811 N LEU A 122 2.500 10.322 7.723 1.00 0.92 N ATOM 1812 CA LEU A 122 2.048 8.951 7.911 1.00 0.87 C ATOM 1813 C LEU A 122 1.682 8.711 9.372 1.00 0.82 C ATOM 1814 O LEU A 122 2.419 9.121 10.272 1.00 0.95 O ATOM 1815 CB LEU A 122 3.131 7.966 7.486 1.00 1.18 C ATOM 1816 CG LEU A 122 3.719 8.213 6.099 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.741 7.143 5.768 1.00 2.45 C ATOM 1818 CD2 LEU A 122 2.619 8.250 5.049 1.00 2.70 C ATOM 0 H LEU A 122 3.508 10.419 7.598 1.00 0.92 H new ATOM 0 HA LEU A 122 1.166 8.795 7.290 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.938 7.999 8.218 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.716 6.958 7.514 1.00 1.18 H new ATOM 0 HG LEU A 122 4.218 9.182 6.099 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.154 7.329 4.777 1.00 2.45 H new ATOM 0 HD12 LEU A 122 5.543 7.166 6.505 1.00 2.45 H new ATOM 0 HD13 LEU A 122 4.261 6.164 5.784 1.00 2.45 H new ATOM 0 HD21 LEU A 122 3.059 8.427 4.067 1.00 2.70 H new ATOM 0 HD22 LEU A 122 2.090 7.297 5.043 1.00 2.70 H new ATOM 0 HD23 LEU A 122 1.919 9.052 5.283 1.00 2.70 H new ATOM 1830 N PRO A 123 0.560 8.017 9.620 1.00 0.77 N ATOM 1831 CA PRO A 123 0.003 7.850 10.960 1.00 0.88 C ATOM 1832 C PRO A 123 0.527 6.614 11.684 1.00 0.92 C ATOM 1833 O PRO A 123 -0.030 6.203 12.700 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.491 7.720 10.670 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.572 7.065 9.324 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.269 7.342 8.606 1.00 0.79 C ATOM 0 HA PRO A 123 0.269 8.671 11.625 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -1.990 7.120 11.431 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -1.978 8.695 10.664 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.732 5.992 9.429 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.415 7.459 8.756 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.198 6.421 8.257 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.422 7.973 7.731 1.00 0.79 H new ATOM 1844 N ALA A 124 1.596 6.030 11.152 1.00 0.89 N ATOM 1845 CA ALA A 124 2.223 4.851 11.748 1.00 1.09 C ATOM 1846 C ALA A 124 1.258 3.660 11.765 1.00 1.10 C ATOM 1847 O ALA A 124 1.414 2.730 12.556 1.00 1.27 O ATOM 1848 CB ALA A 124 2.734 5.157 13.158 1.00 1.34 C ATOM 0 H ALA A 124 2.052 6.357 10.300 1.00 0.89 H new ATOM 0 HA ALA A 124 3.078 4.580 11.129 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.196 4.264 13.579 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.470 5.959 13.112 1.00 1.34 H new ATOM 0 HB3 ALA A 124 1.900 5.466 13.788 1.00 1.34 H new ATOM 1854 N ASP A 125 0.266 3.690 10.882 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.674 2.584 10.741 1.00 1.03 C ATOM 1856 C ASP A 125 -0.473 1.923 9.394 1.00 0.87 C ATOM 1857 O ASP A 125 -0.233 2.606 8.395 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.119 3.069 10.853 1.00 1.22 C ATOM 1859 CG ASP A 125 -3.119 1.926 10.810 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.987 0.980 11.617 1.00 2.36 O ATOM 1861 OD2 ASP A 125 -4.049 1.970 9.972 1.00 2.14 O ATOM 0 H ASP A 125 0.092 4.472 10.251 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.486 1.871 11.544 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -2.243 3.621 11.784 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.330 3.764 10.040 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.560 0.609 9.366 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.409 -0.137 8.132 1.00 0.73 C ATOM 1868 C LEU A 126 -1.675 -0.952 7.888 1.00 0.76 C ATOM 1869 O LEU A 126 -1.927 -1.942 8.578 1.00 0.86 O ATOM 1870 CB LEU A 126 0.819 -1.047 8.213 1.00 0.75 C ATOM 1871 CG LEU A 126 1.740 -1.032 6.987 1.00 0.94 C ATOM 1872 CD1 LEU A 126 2.803 -2.116 7.110 1.00 1.67 C ATOM 1873 CD2 LEU A 126 0.934 -1.196 5.704 1.00 1.83 C ATOM 0 H LEU A 126 -0.736 0.032 10.189 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.261 0.551 7.299 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.404 -0.760 9.087 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.480 -2.070 8.377 1.00 0.75 H new ATOM 0 HG LEU A 126 2.243 -0.066 6.942 1.00 0.94 H new ATOM 0 HD11 LEU A 126 3.449 -2.093 6.233 1.00 1.67 H new ATOM 0 HD12 LEU A 126 3.400 -1.940 8.005 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.322 -3.091 7.181 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.607 -1.182 4.847 1.00 1.83 H new ATOM 0 HD22 LEU A 126 0.398 -2.145 5.730 1.00 1.83 H new ATOM 0 HD23 LEU A 126 0.219 -0.378 5.616 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.505 -0.526 6.924 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.786 -1.160 6.642 1.00 0.89 C ATOM 1887 C PRO A 127 -3.641 -2.390 5.749 1.00 0.85 C ATOM 1888 O PRO A 127 -2.768 -2.438 4.884 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.578 -0.059 5.913 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.666 1.122 5.810 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.276 0.609 6.028 1.00 0.78 C ATOM 0 HA PRO A 127 -4.269 -1.522 7.550 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -4.890 -0.396 4.924 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.483 0.197 6.463 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -3.755 1.596 4.833 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -3.922 1.876 6.555 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -1.804 0.303 5.095 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.630 1.362 6.480 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.519 -3.392 5.932 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.497 -4.626 5.132 1.00 1.06 C ATOM 1901 C PRO A 128 -4.774 -4.370 3.650 1.00 1.01 C ATOM 1902 O PRO A 128 -4.542 -5.233 2.808 1.00 1.15 O ATOM 1903 CB PRO A 128 -5.604 -5.484 5.755 1.00 1.27 C ATOM 1904 CG PRO A 128 -6.483 -4.521 6.480 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.589 -3.408 6.943 1.00 1.15 C ATOM 0 HA PRO A 128 -3.517 -5.103 5.152 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -6.160 -6.026 4.990 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -5.190 -6.228 6.435 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.269 -4.143 5.826 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -6.975 -5.003 7.325 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.119 -2.456 6.983 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.196 -3.597 7.942 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.262 -3.174 3.327 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.479 -2.797 1.936 1.00 0.96 C ATOM 1915 C HIS A 129 -4.307 -1.962 1.427 1.00 0.94 C ATOM 1916 O HIS A 129 -4.459 -1.179 0.493 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.806 -2.030 1.754 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.925 -0.764 2.549 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.499 -0.705 3.802 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -6.551 0.504 2.254 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.465 0.540 4.242 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.898 1.299 3.321 1.00 1.48 N ATOM 0 H HIS A 129 -5.513 -2.455 4.006 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.545 -3.713 1.349 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.926 -1.790 0.698 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.629 -2.690 2.027 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -6.068 0.831 1.345 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.839 0.881 5.196 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.744 2.305 3.390 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.145 -2.123 2.052 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.941 -1.424 1.615 1.00 0.69 C ATOM 1933 C LEU A 130 -0.703 -2.256 1.917 1.00 0.69 C ATOM 1934 O LEU A 130 0.420 -1.766 1.842 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.850 -0.079 2.316 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.162 1.050 1.551 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -2.037 2.290 1.539 1.00 1.27 C ATOM 1938 CD2 LEU A 130 0.188 1.374 2.167 1.00 1.29 C ATOM 0 H LEU A 130 -3.011 -2.730 2.861 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.995 -1.266 0.538 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.861 0.245 2.563 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -1.322 -0.222 3.259 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.004 0.717 0.525 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -1.533 3.086 0.990 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -2.986 2.061 1.055 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -2.221 2.616 2.563 1.00 1.27 H new ATOM 0 HD21 LEU A 130 0.660 2.181 1.606 1.00 1.29 H new ATOM 0 HD22 LEU A 130 0.050 1.685 3.203 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.824 0.490 2.135 1.00 1.29 H new ATOM 1950 N VAL A 131 -0.910 -3.513 2.252 1.00 0.76 N ATOM 1951 CA VAL A 131 0.202 -4.411 2.500 1.00 0.84 C ATOM 1952 C VAL A 131 0.573 -5.132 1.212 1.00 0.76 C ATOM 1953 O VAL A 131 -0.297 -5.673 0.527 1.00 0.76 O ATOM 1954 CB VAL A 131 -0.097 -5.439 3.622 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -0.208 -4.741 4.971 1.00 1.72 C ATOM 1956 CG2 VAL A 131 -1.359 -6.239 3.326 1.00 1.59 C ATOM 0 H VAL A 131 -1.832 -3.935 2.359 1.00 0.76 H new ATOM 0 HA VAL A 131 1.040 -3.805 2.844 1.00 0.84 H new ATOM 0 HB VAL A 131 0.737 -6.140 3.660 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -0.418 -5.478 5.746 1.00 1.72 H new ATOM 0 HG12 VAL A 131 0.730 -4.234 5.197 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -1.016 -4.010 4.937 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -1.537 -6.949 4.133 1.00 1.59 H new ATOM 0 HG22 VAL A 131 -2.209 -5.561 3.245 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -1.235 -6.780 2.388 1.00 1.59 H new ATOM 1966 N PRO A 132 1.863 -5.102 0.836 1.00 0.78 N ATOM 1967 CA PRO A 132 2.346 -5.772 -0.367 1.00 0.79 C ATOM 1968 C PRO A 132 1.961 -7.258 -0.361 1.00 0.83 C ATOM 1969 O PRO A 132 1.884 -7.867 0.708 1.00 0.85 O ATOM 1970 CB PRO A 132 3.869 -5.616 -0.287 1.00 0.90 C ATOM 1971 CG PRO A 132 4.092 -4.431 0.585 1.00 1.04 C ATOM 1972 CD PRO A 132 2.940 -4.402 1.552 1.00 0.88 C ATOM 0 HA PRO A 132 1.920 -5.351 -1.278 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.335 -6.508 0.133 1.00 0.90 H new ATOM 0 HB3 PRO A 132 4.302 -5.465 -1.276 1.00 0.90 H new ATOM 0 HG2 PRO A 132 5.042 -4.509 1.113 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.129 -3.515 -0.004 1.00 1.04 H new ATOM 0 HD2 PRO A 132 3.190 -4.903 2.487 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.655 -3.381 1.804 1.00 0.88 H new