USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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: P 9 ASN : amide:sc= -5.78! C(o=-33!,f=-31!) USER MOD Set 1.2: P 11 SER OG : rot -67:sc= -0.625 USER MOD Set 1.3: P 12 CYS SG : rot -70:sc= -0.78 USER MOD Set 1.4: P 15 CYS SG : rot 120:sc= -7.08! USER MOD Set 1.5: P 22 CYS SG : rot -141:sc= -2.01 USER MOD Set 1.6: P 39 CYS SG : rot -119:sc= 0.603 USER MOD Set 1.7: P 41 ASN : amide:sc= -11! C(o=-33!,f=-31!) USER MOD Set 1.8: P 42 CYS SG : rot -64:sc= -5.21! USER MOD Set 1.9: P 49 CYS SG : rot -168:sc= -1.33! USER MOD Single : P 8 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.5!) USER MOD Single : P 10 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-3!) USER MOD Single : P 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 27 ASN : amide:sc= -0.872 K(o=-0.87,f=0) USER MOD Single : P 29 ASN : amide:sc= -2.3 K(o=-2.3,f=-3.9!) USER MOD Single : P 32 ASN : amide:sc= -1.72 K(o=-1.7,f=-0.69) USER MOD Single : P 34 ASN : amide:sc= -7.65! C(o=-7.6!,f=-3.6!) USER MOD Single : P 38 SER OG : rot 180:sc= -2.76! USER MOD Single : P 40 SER OG : rot 180:sc= 0 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= -3.07! C(o=-3.1!,f=-2.5!) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -66:sc= 0.386! USER MOD Single : P 52 ASN : amide:sc= -7.95! K(o=-8!,f=-0.44) USER MOD Single : P 55 SER OG : rot 86:sc= 1.2 USER MOD Single : P 56 SER OG : rot 180:sc= 0 USER MOD Single : P 57 GLN : amide:sc= -6.69! C(o=-6.7!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 34.518 6.344 4.802 1.00 0.00 N ATOM 734 CA ARG P 6 34.604 5.437 5.946 1.00 0.00 C ATOM 735 C ARG P 6 34.228 6.104 7.281 1.00 0.00 C ATOM 736 O ARG P 6 34.891 7.030 7.746 1.00 0.00 O ATOM 737 CB ARG P 6 36.026 4.861 6.042 1.00 0.00 C ATOM 738 CG ARG P 6 36.438 4.720 7.511 1.00 0.00 C ATOM 739 CD ARG P 6 35.473 3.779 8.232 1.00 0.00 C ATOM 740 NE ARG P 6 34.843 2.886 7.270 1.00 0.00 N ATOM 741 CZ ARG P 6 33.631 2.398 7.468 1.00 0.00 C ATOM 742 NH1 ARG P 6 32.978 2.678 8.558 1.00 0.00 N ATOM 743 NH2 ARG P 6 33.098 1.606 6.579 1.00 0.00 N ATOM 0 HA ARG P 6 33.877 4.643 5.773 1.00 0.00 H new ATOM 0 HB2 ARG P 6 36.067 3.889 5.550 1.00 0.00 H new ATOM 0 HB3 ARG P 6 36.727 5.513 5.520 1.00 0.00 H new ATOM 0 HG2 ARG P 6 37.455 4.333 7.577 1.00 0.00 H new ATOM 0 HG3 ARG P 6 36.436 5.697 7.994 1.00 0.00 H new ATOM 0 HD2 ARG P 6 36.009 3.199 8.983 1.00 0.00 H new ATOM 0 HD3 ARG P 6 34.713 4.356 8.758 1.00 0.00 H new ATOM 0 HE ARG P 6 35.350 2.631 6.422 1.00 0.00 H new ATOM 0 HH11 ARG P 6 33.401 3.278 9.266 1.00 0.00 H new ATOM 0 HH12 ARG P 6 32.043 2.298 8.704 1.00 0.00 H new ATOM 0 HH21 ARG P 6 33.617 1.365 5.734 1.00 0.00 H new ATOM 0 HH22 ARG P 6 32.163 1.228 6.729 1.00 0.00 H new ATOM 757 N ARG P 7 33.175 5.574 7.906 1.00 0.00 N ATOM 758 CA ARG P 7 32.719 6.052 9.213 1.00 0.00 C ATOM 759 C ARG P 7 32.165 7.482 9.189 1.00 0.00 C ATOM 760 O ARG P 7 32.923 8.449 9.238 1.00 0.00 O ATOM 761 CB ARG P 7 33.889 6.001 10.196 1.00 0.00 C ATOM 762 CG ARG P 7 33.614 6.944 11.369 1.00 0.00 C ATOM 763 CD ARG P 7 34.298 6.405 12.627 1.00 0.00 C ATOM 764 NE ARG P 7 35.713 6.747 12.605 1.00 0.00 N ATOM 765 CZ ARG P 7 36.590 6.069 13.331 1.00 0.00 C ATOM 766 NH1 ARG P 7 36.191 5.078 14.080 1.00 0.00 N ATOM 767 NH2 ARG P 7 37.854 6.393 13.296 1.00 0.00 N ATOM 0 H ARG P 7 32.619 4.809 7.525 1.00 0.00 H new ATOM 0 HA ARG P 7 31.902 5.398 9.516 1.00 0.00 H new ATOM 0 HB2 ARG P 7 34.028 4.983 10.559 1.00 0.00 H new ATOM 0 HB3 ARG P 7 34.812 6.289 9.693 1.00 0.00 H new ATOM 0 HG2 ARG P 7 33.984 7.943 11.141 1.00 0.00 H new ATOM 0 HG3 ARG P 7 32.540 7.032 11.535 1.00 0.00 H new ATOM 0 HD2 ARG P 7 33.827 6.825 13.516 1.00 0.00 H new ATOM 0 HD3 ARG P 7 34.177 5.323 12.683 1.00 0.00 H new ATOM 0 HE ARG P 7 36.034 7.520 12.022 1.00 0.00 H new ATOM 0 HH11 ARG P 7 35.203 4.825 14.107 1.00 0.00 H new ATOM 0 HH12 ARG P 7 36.867 4.557 14.639 1.00 0.00 H new ATOM 0 HH21 ARG P 7 38.166 7.168 12.710 1.00 0.00 H new ATOM 0 HH22 ARG P 7 38.530 5.872 13.855 1.00 0.00 H new ATOM 781 N GLN P 8 30.838 7.615 9.152 1.00 0.00 N ATOM 782 CA GLN P 8 30.227 8.925 9.169 1.00 0.00 C ATOM 783 C GLN P 8 29.029 8.954 10.126 1.00 0.00 C ATOM 784 O GLN P 8 28.849 9.913 10.875 1.00 0.00 O ATOM 785 CB GLN P 8 29.749 9.291 7.776 1.00 0.00 C ATOM 786 CG GLN P 8 29.007 10.621 7.839 1.00 0.00 C ATOM 787 CD GLN P 8 27.596 10.412 7.308 1.00 0.00 C ATOM 788 OE1 GLN P 8 26.614 10.749 7.969 1.00 0.00 O ATOM 789 NE2 GLN P 8 27.444 9.869 6.136 1.00 0.00 N ATOM 0 H GLN P 8 30.181 6.836 9.111 1.00 0.00 H new ATOM 0 HA GLN P 8 30.974 9.642 9.508 1.00 0.00 H new ATOM 0 HB2 GLN P 8 30.596 9.365 7.095 1.00 0.00 H new ATOM 0 HB3 GLN P 8 29.093 8.512 7.386 1.00 0.00 H new ATOM 0 HG2 GLN P 8 28.975 10.989 8.865 1.00 0.00 H new ATOM 0 HG3 GLN P 8 29.527 11.374 7.246 1.00 0.00 H new ATOM 0 HE21 GLN P 8 28.261 9.592 5.593 1.00 0.00 H new ATOM 0 HE22 GLN P 8 26.507 9.721 5.760 1.00 0.00 H new ATOM 798 N ASN P 9 28.201 7.913 10.088 1.00 0.00 N ATOM 799 CA ASN P 9 27.025 7.879 10.957 1.00 0.00 C ATOM 800 C ASN P 9 26.606 6.452 11.364 1.00 0.00 C ATOM 801 O ASN P 9 25.725 6.289 12.206 1.00 0.00 O ATOM 802 CB ASN P 9 25.854 8.556 10.244 1.00 0.00 C ATOM 803 CG ASN P 9 24.888 7.494 9.715 1.00 0.00 C ATOM 804 OD1 ASN P 9 23.694 7.534 10.006 1.00 0.00 O ATOM 805 ND2 ASN P 9 25.341 6.539 8.950 1.00 0.00 N ATOM 0 H ASN P 9 28.316 7.101 9.482 1.00 0.00 H new ATOM 0 HA ASN P 9 27.293 8.407 11.872 1.00 0.00 H new ATOM 0 HB2 ASN P 9 25.334 9.224 10.931 1.00 0.00 H new ATOM 0 HB3 ASN P 9 26.222 9.169 9.421 1.00 0.00 H new ATOM 0 HD21 ASN P 9 24.705 5.826 8.594 1.00 0.00 H new ATOM 0 HD22 ASN P 9 26.331 6.506 8.708 1.00 0.00 H new ATOM 812 N HIS P 10 27.215 5.424 10.782 1.00 0.00 N ATOM 813 CA HIS P 10 26.854 4.061 11.131 1.00 0.00 C ATOM 814 C HIS P 10 25.568 3.647 10.412 1.00 0.00 C ATOM 815 O HIS P 10 24.709 4.477 10.128 1.00 0.00 O ATOM 816 CB HIS P 10 26.648 3.953 12.643 1.00 0.00 C ATOM 817 CG HIS P 10 27.713 4.743 13.357 1.00 0.00 C ATOM 818 ND1 HIS P 10 28.967 4.212 13.634 1.00 0.00 N ATOM 819 CD2 HIS P 10 27.729 6.022 13.861 1.00 0.00 C ATOM 820 CE1 HIS P 10 29.678 5.158 14.276 1.00 0.00 C ATOM 821 NE2 HIS P 10 28.965 6.282 14.438 1.00 0.00 N ATOM 0 H HIS P 10 27.949 5.509 10.078 1.00 0.00 H new ATOM 0 HA HIS P 10 27.661 3.397 10.822 1.00 0.00 H new ATOM 0 HB2 HIS P 10 25.661 4.328 12.913 1.00 0.00 H new ATOM 0 HB3 HIS P 10 26.688 2.908 12.952 1.00 0.00 H new ATOM 0 HD2 HIS P 10 26.905 6.719 13.815 1.00 0.00 H new ATOM 0 HE1 HIS P 10 30.694 5.028 14.617 1.00 0.00 H new ATOM 0 HE2 HIS P 10 29.267 7.145 14.890 1.00 0.00 H new ATOM 830 N SER P 11 25.453 2.361 10.107 1.00 0.00 N ATOM 831 CA SER P 11 24.268 1.859 9.409 1.00 0.00 C ATOM 832 C SER P 11 23.967 0.408 9.789 1.00 0.00 C ATOM 833 O SER P 11 24.709 -0.224 10.539 1.00 0.00 O ATOM 834 CB SER P 11 24.467 1.935 7.896 1.00 0.00 C ATOM 835 OG SER P 11 24.649 3.291 7.506 1.00 0.00 O ATOM 0 H SER P 11 26.153 1.652 10.326 1.00 0.00 H new ATOM 0 HA SER P 11 23.429 2.487 9.708 1.00 0.00 H new ATOM 0 HB2 SER P 11 25.334 1.342 7.603 1.00 0.00 H new ATOM 0 HB3 SER P 11 23.603 1.512 7.384 1.00 0.00 H new ATOM 0 HG SER P 11 23.819 3.789 7.657 1.00 0.00 H new ATOM 841 N CYS P 12 22.861 -0.102 9.265 1.00 0.00 N ATOM 842 CA CYS P 12 22.444 -1.484 9.556 1.00 0.00 C ATOM 843 C CYS P 12 23.361 -2.512 8.899 1.00 0.00 C ATOM 844 O CYS P 12 23.899 -2.291 7.811 1.00 0.00 O ATOM 845 CB CYS P 12 20.999 -1.700 9.068 1.00 0.00 C ATOM 846 SG CYS P 12 20.128 -0.175 9.420 1.00 0.00 S ATOM 0 H CYS P 12 22.235 0.408 8.641 1.00 0.00 H new ATOM 0 HA CYS P 12 22.506 -1.626 10.635 1.00 0.00 H new ATOM 0 HB2 CYS P 12 20.977 -1.925 8.002 1.00 0.00 H new ATOM 0 HB3 CYS P 12 20.535 -2.542 9.582 1.00 0.00 H new ATOM 0 HG CYS P 12 19.976 -0.049 10.705 1.00 0.00 H new ATOM 851 N ASP P 13 23.509 -3.658 9.560 1.00 0.00 N ATOM 852 CA ASP P 13 24.334 -4.723 8.998 1.00 0.00 C ATOM 853 C ASP P 13 23.926 -4.984 7.548 1.00 0.00 C ATOM 854 O ASP P 13 24.773 -5.129 6.664 1.00 0.00 O ATOM 855 CB ASP P 13 24.148 -6.016 9.780 1.00 0.00 C ATOM 856 CG ASP P 13 23.820 -7.150 8.808 1.00 0.00 C ATOM 857 OD1 ASP P 13 24.748 -7.740 8.282 1.00 0.00 O ATOM 858 OD2 ASP P 13 22.645 -7.409 8.607 1.00 0.00 O ATOM 0 H ASP P 13 23.081 -3.870 10.461 1.00 0.00 H new ATOM 0 HA ASP P 13 25.375 -4.406 9.052 1.00 0.00 H new ATOM 0 HB2 ASP P 13 25.054 -6.251 10.338 1.00 0.00 H new ATOM 0 HB3 ASP P 13 23.345 -5.902 10.508 1.00 0.00 H new ATOM 863 N PRO P 14 22.608 -5.034 7.279 1.00 0.00 N ATOM 864 CA PRO P 14 22.084 -5.266 5.922 1.00 0.00 C ATOM 865 C PRO P 14 22.396 -4.083 5.007 1.00 0.00 C ATOM 866 O PRO P 14 22.589 -4.231 3.793 1.00 0.00 O ATOM 867 CB PRO P 14 20.577 -5.454 6.157 1.00 0.00 C ATOM 868 CG PRO P 14 20.305 -4.658 7.424 1.00 0.00 C ATOM 869 CD PRO P 14 21.541 -4.841 8.286 1.00 0.00 C ATOM 0 HA PRO P 14 22.530 -6.124 5.418 1.00 0.00 H new ATOM 0 HB2 PRO P 14 19.992 -5.081 5.317 1.00 0.00 H new ATOM 0 HB3 PRO P 14 20.320 -6.506 6.282 1.00 0.00 H new ATOM 0 HG2 PRO P 14 20.136 -3.605 7.198 1.00 0.00 H new ATOM 0 HG3 PRO P 14 19.413 -5.022 7.933 1.00 0.00 H new ATOM 0 HD2 PRO P 14 21.729 -3.971 8.915 1.00 0.00 H new ATOM 0 HD3 PRO P 14 21.449 -5.701 8.950 1.00 0.00 H new ATOM 877 N CYS P 15 22.487 -2.913 5.612 1.00 0.00 N ATOM 878 CA CYS P 15 22.812 -1.719 4.868 1.00 0.00 C ATOM 879 C CYS P 15 24.209 -1.841 4.276 1.00 0.00 C ATOM 880 O CYS P 15 24.403 -1.690 3.072 1.00 0.00 O ATOM 881 CB CYS P 15 22.735 -0.508 5.791 1.00 0.00 C ATOM 882 SG CYS P 15 21.110 0.235 5.580 1.00 0.00 S ATOM 0 H CYS P 15 22.341 -2.768 6.611 1.00 0.00 H new ATOM 0 HA CYS P 15 22.098 -1.594 4.054 1.00 0.00 H new ATOM 0 HB2 CYS P 15 22.888 -0.807 6.828 1.00 0.00 H new ATOM 0 HB3 CYS P 15 23.519 0.209 5.547 1.00 0.00 H new ATOM 0 HG CYS P 15 20.481 0.233 6.718 1.00 0.00 H new ATOM 887 N ARG P 16 25.177 -2.138 5.119 1.00 0.00 N ATOM 888 CA ARG P 16 26.537 -2.295 4.637 1.00 0.00 C ATOM 889 C ARG P 16 26.580 -3.385 3.570 1.00 0.00 C ATOM 890 O ARG P 16 27.375 -3.326 2.632 1.00 0.00 O ATOM 891 CB ARG P 16 27.467 -2.668 5.790 1.00 0.00 C ATOM 892 CG ARG P 16 27.347 -1.623 6.882 1.00 0.00 C ATOM 893 CD ARG P 16 28.251 -0.440 6.559 1.00 0.00 C ATOM 894 NE ARG P 16 28.248 0.450 7.699 1.00 0.00 N ATOM 895 CZ ARG P 16 27.581 1.607 7.686 1.00 0.00 C ATOM 896 NH1 ARG P 16 27.053 2.053 6.575 1.00 0.00 N ATOM 897 NH2 ARG P 16 27.458 2.329 8.778 1.00 0.00 N ATOM 0 H ARG P 16 25.054 -2.274 6.122 1.00 0.00 H new ATOM 0 HA ARG P 16 26.870 -1.351 4.207 1.00 0.00 H new ATOM 0 HB2 ARG P 16 27.206 -3.652 6.180 1.00 0.00 H new ATOM 0 HB3 ARG P 16 28.497 -2.728 5.438 1.00 0.00 H new ATOM 0 HG2 ARG P 16 26.313 -1.290 6.969 1.00 0.00 H new ATOM 0 HG3 ARG P 16 27.625 -2.054 7.844 1.00 0.00 H new ATOM 0 HD2 ARG P 16 29.264 -0.782 6.345 1.00 0.00 H new ATOM 0 HD3 ARG P 16 27.895 0.079 5.669 1.00 0.00 H new ATOM 0 HE ARG P 16 28.769 0.187 8.535 1.00 0.00 H new ATOM 0 HH11 ARG P 16 27.150 1.516 5.713 1.00 0.00 H new ATOM 0 HH12 ARG P 16 26.545 2.937 6.571 1.00 0.00 H new ATOM 0 HH21 ARG P 16 27.875 2.008 9.652 1.00 0.00 H new ATOM 0 HH22 ARG P 16 26.945 3.210 8.752 1.00 0.00 H new ATOM 911 N LYS P 17 25.711 -4.376 3.724 1.00 0.00 N ATOM 912 CA LYS P 17 25.644 -5.478 2.775 1.00 0.00 C ATOM 913 C LYS P 17 25.212 -4.989 1.388 1.00 0.00 C ATOM 914 O LYS P 17 25.688 -5.486 0.369 1.00 0.00 O ATOM 915 CB LYS P 17 24.643 -6.522 3.274 1.00 0.00 C ATOM 916 CG LYS P 17 24.522 -7.648 2.246 1.00 0.00 C ATOM 917 CD LYS P 17 23.113 -7.646 1.649 1.00 0.00 C ATOM 918 CE LYS P 17 23.133 -8.349 0.291 1.00 0.00 C ATOM 919 NZ LYS P 17 23.111 -9.825 0.496 1.00 0.00 N ATOM 0 H LYS P 17 25.045 -4.439 4.494 1.00 0.00 H new ATOM 0 HA LYS P 17 26.638 -5.918 2.693 1.00 0.00 H new ATOM 0 HB2 LYS P 17 24.969 -6.925 4.233 1.00 0.00 H new ATOM 0 HB3 LYS P 17 23.670 -6.059 3.437 1.00 0.00 H new ATOM 0 HG2 LYS P 17 25.263 -7.516 1.457 1.00 0.00 H new ATOM 0 HG3 LYS P 17 24.727 -8.609 2.718 1.00 0.00 H new ATOM 0 HD2 LYS P 17 22.421 -8.152 2.322 1.00 0.00 H new ATOM 0 HD3 LYS P 17 22.756 -6.622 1.535 1.00 0.00 H new ATOM 0 HE2 LYS P 17 22.273 -8.041 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS P 17 24.025 -8.062 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 23.125 -10.304 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 23.945 -10.111 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 22.248 -10.091 1.011 1.00 0.00 H new ATOM 933 N GLY P 18 24.317 -4.010 1.352 1.00 0.00 N ATOM 934 CA GLY P 18 23.849 -3.471 0.081 1.00 0.00 C ATOM 935 C GLY P 18 24.545 -2.149 -0.216 1.00 0.00 C ATOM 936 O GLY P 18 24.237 -1.474 -1.195 1.00 0.00 O ATOM 0 H GLY P 18 23.904 -3.577 2.178 1.00 0.00 H new ATOM 0 HA2 GLY P 18 24.048 -4.183 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY P 18 22.770 -3.323 0.115 1.00 0.00 H new ATOM 940 N LYS P 19 25.478 -1.789 0.648 1.00 0.00 N ATOM 941 CA LYS P 19 26.211 -0.558 0.496 1.00 0.00 C ATOM 942 C LYS P 19 25.264 0.627 0.611 1.00 0.00 C ATOM 943 O LYS P 19 25.011 1.314 -0.359 1.00 0.00 O ATOM 944 CB LYS P 19 26.881 -0.545 -0.867 1.00 0.00 C ATOM 945 CG LYS P 19 28.203 -1.300 -0.779 1.00 0.00 C ATOM 946 CD LYS P 19 28.726 -1.581 -2.188 1.00 0.00 C ATOM 947 CE LYS P 19 30.040 -2.356 -2.100 1.00 0.00 C ATOM 948 NZ LYS P 19 31.090 -1.637 -2.874 1.00 0.00 N ATOM 0 H LYS P 19 25.742 -2.340 1.465 1.00 0.00 H new ATOM 0 HA LYS P 19 26.966 -0.485 1.279 1.00 0.00 H new ATOM 0 HB2 LYS P 19 26.232 -1.008 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS P 19 27.055 0.481 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS P 19 28.932 -0.714 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS P 19 28.064 -2.236 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS P 19 27.991 -2.154 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS P 19 28.879 -0.644 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS P 19 30.346 -2.458 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS P 19 29.908 -3.364 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 31.985 -2.163 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 30.797 -1.561 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 31.222 -0.684 -2.479 1.00 0.00 H new ATOM 962 N ARG P 20 24.721 0.851 1.792 1.00 0.00 N ATOM 963 CA ARG P 20 23.789 1.951 1.960 1.00 0.00 C ATOM 964 C ARG P 20 23.855 2.585 3.350 1.00 0.00 C ATOM 965 O ARG P 20 23.397 2.008 4.335 1.00 0.00 O ATOM 966 CB ARG P 20 22.368 1.447 1.710 1.00 0.00 C ATOM 967 CG ARG P 20 21.736 2.251 0.573 1.00 0.00 C ATOM 968 CD ARG P 20 22.638 2.170 -0.650 1.00 0.00 C ATOM 969 NE ARG P 20 22.066 2.889 -1.774 1.00 0.00 N ATOM 970 CZ ARG P 20 21.569 2.252 -2.816 1.00 0.00 C ATOM 971 NH1 ARG P 20 21.267 0.987 -2.742 1.00 0.00 N ATOM 972 NH2 ARG P 20 21.296 2.928 -3.897 1.00 0.00 N ATOM 0 H ARG P 20 24.902 0.301 2.632 1.00 0.00 H new ATOM 0 HA ARG P 20 24.069 2.720 1.240 1.00 0.00 H new ATOM 0 HB2 ARG P 20 22.386 0.387 1.455 1.00 0.00 H new ATOM 0 HB3 ARG P 20 21.770 1.546 2.616 1.00 0.00 H new ATOM 0 HG2 ARG P 20 20.747 1.858 0.338 1.00 0.00 H new ATOM 0 HG3 ARG P 20 21.603 3.290 0.875 1.00 0.00 H new ATOM 0 HD2 ARG P 20 23.617 2.584 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG P 20 22.792 1.126 -0.923 1.00 0.00 H new ATOM 0 HE ARG P 20 22.048 3.909 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG P 20 21.414 0.478 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG P 20 20.883 0.506 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG P 20 21.467 3.933 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG P 20 20.911 2.452 -4.713 1.00 0.00 H new ATOM 986 N ARG P 21 24.374 3.803 3.405 1.00 0.00 N ATOM 987 CA ARG P 21 24.429 4.539 4.656 1.00 0.00 C ATOM 988 C ARG P 21 22.995 4.808 5.079 1.00 0.00 C ATOM 989 O ARG P 21 22.073 4.526 4.317 1.00 0.00 O ATOM 990 CB ARG P 21 25.173 5.861 4.422 1.00 0.00 C ATOM 991 CG ARG P 21 24.716 6.959 5.390 1.00 0.00 C ATOM 992 CD ARG P 21 23.416 7.609 4.891 1.00 0.00 C ATOM 993 NE ARG P 21 23.719 8.553 3.827 1.00 0.00 N ATOM 994 CZ ARG P 21 23.113 9.735 3.750 1.00 0.00 C ATOM 995 NH1 ARG P 21 22.162 10.052 4.589 1.00 0.00 N ATOM 996 NH2 ARG P 21 23.459 10.578 2.818 1.00 0.00 N ATOM 0 H ARG P 21 24.761 4.299 2.602 1.00 0.00 H new ATOM 0 HA ARG P 21 24.953 3.979 5.431 1.00 0.00 H new ATOM 0 HB2 ARG P 21 26.245 5.699 4.538 1.00 0.00 H new ATOM 0 HB3 ARG P 21 25.010 6.192 3.396 1.00 0.00 H new ATOM 0 HG2 ARG P 21 24.560 6.536 6.382 1.00 0.00 H new ATOM 0 HG3 ARG P 21 25.495 7.716 5.485 1.00 0.00 H new ATOM 0 HD2 ARG P 21 22.731 6.843 4.527 1.00 0.00 H new ATOM 0 HD3 ARG P 21 22.915 8.120 5.713 1.00 0.00 H new ATOM 0 HE ARG P 21 24.413 8.303 3.123 1.00 0.00 H new ATOM 0 HH11 ARG P 21 21.878 9.390 5.312 1.00 0.00 H new ATOM 0 HH12 ARG P 21 21.704 10.961 4.521 1.00 0.00 H new ATOM 0 HH21 ARG P 21 24.191 10.330 2.152 1.00 0.00 H new ATOM 0 HH22 ARG P 21 22.998 11.486 2.754 1.00 0.00 H new ATOM 1010 N CYS P 22 22.769 5.346 6.259 1.00 0.00 N ATOM 1011 CA CYS P 22 21.380 5.596 6.631 1.00 0.00 C ATOM 1012 C CYS P 22 21.191 6.434 7.891 1.00 0.00 C ATOM 1013 O CYS P 22 22.113 7.073 8.394 1.00 0.00 O ATOM 1014 CB CYS P 22 20.664 4.266 6.810 1.00 0.00 C ATOM 1015 SG CYS P 22 21.553 3.200 7.974 1.00 0.00 S ATOM 0 H CYS P 22 23.476 5.608 6.946 1.00 0.00 H new ATOM 0 HA CYS P 22 20.958 6.183 5.816 1.00 0.00 H new ATOM 0 HB2 CYS P 22 19.651 4.440 7.172 1.00 0.00 H new ATOM 0 HB3 CYS P 22 20.576 3.764 5.846 1.00 0.00 H new ATOM 0 HG CYS P 22 21.515 1.971 7.553 1.00 0.00 H new ATOM 1020 N ASP P 23 19.949 6.419 8.373 1.00 0.00 N ATOM 1021 CA ASP P 23 19.567 7.166 9.551 1.00 0.00 C ATOM 1022 C ASP P 23 20.031 6.443 10.802 1.00 0.00 C ATOM 1023 O ASP P 23 20.749 7.002 11.627 1.00 0.00 O ATOM 1024 CB ASP P 23 18.043 7.274 9.593 1.00 0.00 C ATOM 1025 CG ASP P 23 17.489 7.334 8.166 1.00 0.00 C ATOM 1026 OD1 ASP P 23 17.220 6.278 7.607 1.00 0.00 O ATOM 1027 OD2 ASP P 23 17.343 8.432 7.654 1.00 0.00 O ATOM 0 H ASP P 23 19.187 5.887 7.952 1.00 0.00 H new ATOM 0 HA ASP P 23 20.025 8.154 9.511 1.00 0.00 H new ATOM 0 HB2 ASP P 23 17.623 6.418 10.121 1.00 0.00 H new ATOM 0 HB3 ASP P 23 17.747 8.166 10.146 1.00 0.00 H new ATOM 1032 N ALA P 24 19.620 5.193 10.925 1.00 0.00 N ATOM 1033 CA ALA P 24 20.003 4.394 12.070 1.00 0.00 C ATOM 1034 C ALA P 24 21.459 4.701 12.428 1.00 0.00 C ATOM 1035 O ALA P 24 22.385 4.134 11.864 1.00 0.00 O ATOM 1036 CB ALA P 24 19.835 2.916 11.719 1.00 0.00 C ATOM 0 H ALA P 24 19.025 4.714 10.249 1.00 0.00 H new ATOM 0 HA ALA P 24 19.373 4.628 12.928 1.00 0.00 H new ATOM 0 HB1 ALA P 24 20.121 2.304 12.575 1.00 0.00 H new ATOM 0 HB2 ALA P 24 18.794 2.719 11.463 1.00 0.00 H new ATOM 0 HB3 ALA P 24 20.470 2.670 10.868 1.00 0.00 H new ATOM 1042 N PRO P 25 21.670 5.654 13.345 1.00 0.00 N ATOM 1043 CA PRO P 25 22.995 6.112 13.765 1.00 0.00 C ATOM 1044 C PRO P 25 23.456 5.479 15.077 1.00 0.00 C ATOM 1045 O PRO P 25 22.991 4.408 15.462 1.00 0.00 O ATOM 1046 CB PRO P 25 22.744 7.608 13.959 1.00 0.00 C ATOM 1047 CG PRO P 25 21.273 7.702 14.382 1.00 0.00 C ATOM 1048 CD PRO P 25 20.604 6.363 14.049 1.00 0.00 C ATOM 0 HA PRO P 25 23.779 5.856 13.052 1.00 0.00 H new ATOM 0 HB2 PRO P 25 23.403 8.025 14.721 1.00 0.00 H new ATOM 0 HB3 PRO P 25 22.928 8.163 13.039 1.00 0.00 H new ATOM 0 HG2 PRO P 25 21.195 7.913 15.448 1.00 0.00 H new ATOM 0 HG3 PRO P 25 20.776 8.518 13.858 1.00 0.00 H new ATOM 0 HD2 PRO P 25 20.285 5.832 14.946 1.00 0.00 H new ATOM 0 HD3 PRO P 25 19.720 6.493 13.425 1.00 0.00 H new ATOM 1056 N GLU P 26 24.355 6.165 15.771 1.00 0.00 N ATOM 1057 CA GLU P 26 24.840 5.675 17.047 1.00 0.00 C ATOM 1058 C GLU P 26 23.711 5.748 18.077 1.00 0.00 C ATOM 1059 O GLU P 26 23.840 5.262 19.199 1.00 0.00 O ATOM 1060 CB GLU P 26 26.019 6.527 17.523 1.00 0.00 C ATOM 1061 CG GLU P 26 26.855 5.728 18.525 1.00 0.00 C ATOM 1062 CD GLU P 26 27.826 6.667 19.243 1.00 0.00 C ATOM 1063 OE1 GLU P 26 28.755 7.130 18.602 1.00 0.00 O ATOM 1064 OE2 GLU P 26 27.624 6.907 20.422 1.00 0.00 O ATOM 0 H GLU P 26 24.758 7.053 15.473 1.00 0.00 H new ATOM 0 HA GLU P 26 25.171 4.643 16.933 1.00 0.00 H new ATOM 0 HB2 GLU P 26 26.635 6.822 16.673 1.00 0.00 H new ATOM 0 HB3 GLU P 26 25.655 7.444 17.986 1.00 0.00 H new ATOM 0 HG2 GLU P 26 26.204 5.238 19.249 1.00 0.00 H new ATOM 0 HG3 GLU P 26 27.407 4.942 18.009 1.00 0.00 H new ATOM 1071 N ASN P 27 22.593 6.342 17.669 1.00 0.00 N ATOM 1072 CA ASN P 27 21.441 6.457 18.534 1.00 0.00 C ATOM 1073 C ASN P 27 20.306 5.652 17.924 1.00 0.00 C ATOM 1074 O ASN P 27 19.133 5.911 18.167 1.00 0.00 O ATOM 1075 CB ASN P 27 21.023 7.922 18.666 1.00 0.00 C ATOM 1076 CG ASN P 27 22.261 8.813 18.610 1.00 0.00 C ATOM 1077 OD1 ASN P 27 22.847 9.137 19.642 1.00 0.00 O ATOM 1078 ND2 ASN P 27 22.693 9.231 17.456 1.00 0.00 N ATOM 0 H ASN P 27 22.468 6.749 16.742 1.00 0.00 H new ATOM 0 HA ASN P 27 21.684 6.078 19.527 1.00 0.00 H new ATOM 0 HB2 ASN P 27 20.334 8.188 17.864 1.00 0.00 H new ATOM 0 HB3 ASN P 27 20.493 8.077 19.606 1.00 0.00 H new ATOM 0 HD21 ASN P 27 23.518 9.828 17.406 1.00 0.00 H new ATOM 0 HD22 ASN P 27 22.206 8.962 16.601 1.00 0.00 H new ATOM 1085 N ARG P 28 20.689 4.667 17.128 1.00 0.00 N ATOM 1086 CA ARG P 28 19.730 3.798 16.474 1.00 0.00 C ATOM 1087 C ARG P 28 19.040 2.948 17.532 1.00 0.00 C ATOM 1088 O ARG P 28 17.820 2.964 17.670 1.00 0.00 O ATOM 1089 CB ARG P 28 20.462 2.900 15.476 1.00 0.00 C ATOM 1090 CG ARG P 28 19.506 1.843 14.929 1.00 0.00 C ATOM 1091 CD ARG P 28 20.287 0.563 14.635 1.00 0.00 C ATOM 1092 NE ARG P 28 19.434 -0.591 14.856 1.00 0.00 N ATOM 1093 CZ ARG P 28 19.140 -0.998 16.082 1.00 0.00 C ATOM 1094 NH1 ARG P 28 19.661 -0.388 17.109 1.00 0.00 N ATOM 1095 NH2 ARG P 28 18.350 -2.022 16.268 1.00 0.00 N ATOM 0 H ARG P 28 21.664 4.450 16.920 1.00 0.00 H new ATOM 0 HA ARG P 28 18.986 4.389 15.940 1.00 0.00 H new ATOM 0 HB2 ARG P 28 20.861 3.500 14.658 1.00 0.00 H new ATOM 0 HB3 ARG P 28 21.311 2.419 15.961 1.00 0.00 H new ATOM 0 HG2 ARG P 28 18.715 1.643 15.651 1.00 0.00 H new ATOM 0 HG3 ARG P 28 19.024 2.206 14.021 1.00 0.00 H new ATOM 0 HD2 ARG P 28 20.644 0.572 13.605 1.00 0.00 H new ATOM 0 HD3 ARG P 28 21.166 0.506 15.277 1.00 0.00 H new ATOM 0 HE ARG P 28 19.055 -1.096 14.055 1.00 0.00 H new ATOM 0 HH11 ARG P 28 20.293 0.400 16.967 1.00 0.00 H new ATOM 0 HH12 ARG P 28 19.437 -0.699 18.054 1.00 0.00 H new ATOM 0 HH21 ARG P 28 17.955 -2.514 15.466 1.00 0.00 H new ATOM 0 HH22 ARG P 28 18.128 -2.330 17.215 1.00 0.00 H new ATOM 1109 N ASN P 29 19.839 2.238 18.303 1.00 0.00 N ATOM 1110 CA ASN P 29 19.297 1.425 19.377 1.00 0.00 C ATOM 1111 C ASN P 29 18.490 2.333 20.303 1.00 0.00 C ATOM 1112 O ASN P 29 17.326 2.069 20.620 1.00 0.00 O ATOM 1113 CB ASN P 29 20.430 0.763 20.165 1.00 0.00 C ATOM 1114 CG ASN P 29 21.458 1.820 20.573 1.00 0.00 C ATOM 1115 OD1 ASN P 29 21.315 2.467 21.609 1.00 0.00 O ATOM 1116 ND2 ASN P 29 22.496 2.031 19.810 1.00 0.00 N ATOM 0 H ASN P 29 20.854 2.206 18.209 1.00 0.00 H new ATOM 0 HA ASN P 29 18.662 0.642 18.963 1.00 0.00 H new ATOM 0 HB2 ASN P 29 20.030 0.269 21.051 1.00 0.00 H new ATOM 0 HB3 ASN P 29 20.907 -0.007 19.558 1.00 0.00 H new ATOM 0 HD21 ASN P 29 23.188 2.732 20.073 1.00 0.00 H new ATOM 0 HD22 ASN P 29 22.615 1.494 18.951 1.00 0.00 H new ATOM 1123 N GLU P 30 19.112 3.433 20.699 1.00 0.00 N ATOM 1124 CA GLU P 30 18.445 4.400 21.546 1.00 0.00 C ATOM 1125 C GLU P 30 17.210 4.919 20.817 1.00 0.00 C ATOM 1126 O GLU P 30 16.230 5.335 21.434 1.00 0.00 O ATOM 1127 CB GLU P 30 19.387 5.566 21.852 1.00 0.00 C ATOM 1128 CG GLU P 30 18.684 6.563 22.775 1.00 0.00 C ATOM 1129 CD GLU P 30 19.644 6.998 23.883 1.00 0.00 C ATOM 1130 OE1 GLU P 30 20.481 7.845 23.616 1.00 0.00 O ATOM 1131 OE2 GLU P 30 19.526 6.478 24.980 1.00 0.00 O ATOM 0 H GLU P 30 20.071 3.674 20.448 1.00 0.00 H new ATOM 0 HA GLU P 30 18.155 3.927 22.484 1.00 0.00 H new ATOM 0 HB2 GLU P 30 20.298 5.197 22.324 1.00 0.00 H new ATOM 0 HB3 GLU P 30 19.685 6.059 20.927 1.00 0.00 H new ATOM 0 HG2 GLU P 30 18.353 7.431 22.205 1.00 0.00 H new ATOM 0 HG3 GLU P 30 17.794 6.108 23.209 1.00 0.00 H new ATOM 1138 N ALA P 31 17.259 4.852 19.490 1.00 0.00 N ATOM 1139 CA ALA P 31 16.137 5.281 18.679 1.00 0.00 C ATOM 1140 C ALA P 31 14.959 4.399 19.033 1.00 0.00 C ATOM 1141 O ALA P 31 13.891 4.873 19.418 1.00 0.00 O ATOM 1142 CB ALA P 31 16.466 5.133 17.200 1.00 0.00 C ATOM 0 H ALA P 31 18.060 4.507 18.961 1.00 0.00 H new ATOM 0 HA ALA P 31 15.909 6.330 18.870 1.00 0.00 H new ATOM 0 HB1 ALA P 31 15.614 5.459 16.603 1.00 0.00 H new ATOM 0 HB2 ALA P 31 17.334 5.745 16.957 1.00 0.00 H new ATOM 0 HB3 ALA P 31 16.685 4.088 16.979 1.00 0.00 H new ATOM 1148 N ASN P 32 15.200 3.102 18.951 1.00 0.00 N ATOM 1149 CA ASN P 32 14.198 2.130 19.318 1.00 0.00 C ATOM 1150 C ASN P 32 13.724 2.471 20.725 1.00 0.00 C ATOM 1151 O ASN P 32 12.558 2.292 21.073 1.00 0.00 O ATOM 1152 CB ASN P 32 14.819 0.735 19.321 1.00 0.00 C ATOM 1153 CG ASN P 32 15.191 0.330 17.895 1.00 0.00 C ATOM 1154 OD1 ASN P 32 14.345 -0.131 17.131 1.00 0.00 O ATOM 1155 ND2 ASN P 32 16.423 0.478 17.494 1.00 0.00 N ATOM 0 H ASN P 32 16.083 2.702 18.633 1.00 0.00 H new ATOM 0 HA ASN P 32 13.368 2.147 18.612 1.00 0.00 H new ATOM 0 HB2 ASN P 32 15.706 0.723 19.955 1.00 0.00 H new ATOM 0 HB3 ASN P 32 14.117 0.015 19.742 1.00 0.00 H new ATOM 0 HD21 ASN P 32 16.686 0.211 16.545 1.00 0.00 H new ATOM 0 HD22 ASN P 32 17.124 0.861 18.129 1.00 0.00 H new ATOM 1162 N GLU P 33 14.653 2.996 21.519 1.00 0.00 N ATOM 1163 CA GLU P 33 14.334 3.405 22.878 1.00 0.00 C ATOM 1164 C GLU P 33 13.212 4.444 22.834 1.00 0.00 C ATOM 1165 O GLU P 33 12.221 4.341 23.555 1.00 0.00 O ATOM 1166 CB GLU P 33 15.570 4.017 23.541 1.00 0.00 C ATOM 1167 CG GLU P 33 15.549 3.718 25.040 1.00 0.00 C ATOM 1168 CD GLU P 33 16.663 4.504 25.733 1.00 0.00 C ATOM 1169 OE1 GLU P 33 17.816 4.272 25.406 1.00 0.00 O ATOM 1170 OE2 GLU P 33 16.346 5.326 26.577 1.00 0.00 O ATOM 0 H GLU P 33 15.624 3.146 21.245 1.00 0.00 H new ATOM 0 HA GLU P 33 14.015 2.537 23.454 1.00 0.00 H new ATOM 0 HB2 GLU P 33 16.476 3.610 23.091 1.00 0.00 H new ATOM 0 HB3 GLU P 33 15.588 5.094 23.375 1.00 0.00 H new ATOM 0 HG2 GLU P 33 14.581 3.989 25.462 1.00 0.00 H new ATOM 0 HG3 GLU P 33 15.683 2.650 25.210 1.00 0.00 H new ATOM 1177 N ASN P 34 13.358 5.419 21.942 1.00 0.00 N ATOM 1178 CA ASN P 34 12.336 6.435 21.769 1.00 0.00 C ATOM 1179 C ASN P 34 11.506 6.086 20.549 1.00 0.00 C ATOM 1180 O ASN P 34 10.845 6.921 19.933 1.00 0.00 O ATOM 1181 CB ASN P 34 12.946 7.805 21.589 1.00 0.00 C ATOM 1182 CG ASN P 34 14.462 7.712 21.590 1.00 0.00 C ATOM 1183 OD1 ASN P 34 15.120 8.100 22.555 1.00 0.00 O ATOM 1184 ND2 ASN P 34 15.052 7.216 20.554 1.00 0.00 N ATOM 0 H ASN P 34 14.170 5.523 21.333 1.00 0.00 H new ATOM 0 HA ASN P 34 11.713 6.461 22.663 1.00 0.00 H new ATOM 0 HB2 ASN P 34 12.602 8.243 20.652 1.00 0.00 H new ATOM 0 HB3 ASN P 34 12.615 8.466 22.390 1.00 0.00 H new ATOM 0 HD21 ASN P 34 16.069 7.144 20.532 1.00 0.00 H new ATOM 0 HD22 ASN P 34 14.501 6.896 19.758 1.00 0.00 H new ATOM 1191 N GLY P 35 11.567 4.821 20.241 1.00 0.00 N ATOM 1192 CA GLY P 35 10.856 4.240 19.123 1.00 0.00 C ATOM 1193 C GLY P 35 11.458 4.589 17.769 1.00 0.00 C ATOM 1194 O GLY P 35 11.401 5.725 17.299 1.00 0.00 O ATOM 0 H GLY P 35 12.122 4.146 20.767 1.00 0.00 H new ATOM 0 HA2 GLY P 35 10.842 3.156 19.236 1.00 0.00 H new ATOM 0 HA3 GLY P 35 9.820 4.577 19.148 1.00 0.00 H new ATOM 1198 N TRP P 36 12.017 3.560 17.153 1.00 0.00 N ATOM 1199 CA TRP P 36 12.629 3.666 15.843 1.00 0.00 C ATOM 1200 C TRP P 36 11.880 2.725 14.887 1.00 0.00 C ATOM 1201 O TRP P 36 10.666 2.851 14.734 1.00 0.00 O ATOM 1202 CB TRP P 36 14.108 3.280 15.959 1.00 0.00 C ATOM 1203 CG TRP P 36 14.801 3.317 14.625 1.00 0.00 C ATOM 1204 CD1 TRP P 36 15.950 2.664 14.350 1.00 0.00 C ATOM 1205 CD2 TRP P 36 14.416 3.988 13.389 1.00 0.00 C ATOM 1206 NE1 TRP P 36 16.300 2.899 13.039 1.00 0.00 N ATOM 1207 CE2 TRP P 36 15.394 3.701 12.409 1.00 0.00 C ATOM 1208 CE3 TRP P 36 13.347 4.804 13.012 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 15.322 4.193 11.116 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 13.265 5.305 11.696 1.00 0.00 C ATOM 1211 CH2 TRP P 36 14.253 4.998 10.753 1.00 0.00 C ATOM 0 H TRP P 36 12.058 2.622 17.553 1.00 0.00 H new ATOM 0 HA TRP P 36 12.569 4.683 15.456 1.00 0.00 H new ATOM 0 HB2 TRP P 36 14.608 3.961 16.648 1.00 0.00 H new ATOM 0 HB3 TRP P 36 14.190 2.280 16.384 1.00 0.00 H new ATOM 0 HD1 TRP P 36 16.506 2.055 15.047 1.00 0.00 H new ATOM 0 HE1 TRP P 36 17.135 2.519 12.593 1.00 0.00 H new ATOM 0 HE3 TRP P 36 12.580 5.052 13.731 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 16.091 3.952 10.397 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 12.432 5.931 11.413 1.00 0.00 H new ATOM 0 HH2 TRP P 36 14.183 5.386 9.748 1.00 0.00 H new ATOM 1222 N VAL P 37 12.584 1.777 14.270 1.00 0.00 N ATOM 1223 CA VAL P 37 11.951 0.832 13.354 1.00 0.00 C ATOM 1224 C VAL P 37 12.971 0.382 12.303 1.00 0.00 C ATOM 1225 O VAL P 37 13.772 -0.520 12.547 1.00 0.00 O ATOM 1226 CB VAL P 37 10.747 1.489 12.666 1.00 0.00 C ATOM 1227 CG1 VAL P 37 11.116 2.915 12.249 1.00 0.00 C ATOM 1228 CG2 VAL P 37 10.357 0.676 11.428 1.00 0.00 C ATOM 0 H VAL P 37 13.588 1.644 14.388 1.00 0.00 H new ATOM 0 HA VAL P 37 11.602 -0.034 13.916 1.00 0.00 H new ATOM 0 HB VAL P 37 9.905 1.519 13.357 1.00 0.00 H new ATOM 0 HG11 VAL P 37 10.262 3.384 11.760 1.00 0.00 H new ATOM 0 HG12 VAL P 37 11.391 3.493 13.132 1.00 0.00 H new ATOM 0 HG13 VAL P 37 11.959 2.886 11.558 1.00 0.00 H new ATOM 0 HG21 VAL P 37 9.502 1.144 10.940 1.00 0.00 H new ATOM 0 HG22 VAL P 37 11.197 0.644 10.734 1.00 0.00 H new ATOM 0 HG23 VAL P 37 10.094 -0.339 11.727 1.00 0.00 H new ATOM 1238 N SER P 38 12.956 1.030 11.148 1.00 0.00 N ATOM 1239 CA SER P 38 13.892 0.709 10.095 1.00 0.00 C ATOM 1240 C SER P 38 14.311 1.989 9.385 1.00 0.00 C ATOM 1241 O SER P 38 13.530 2.932 9.270 1.00 0.00 O ATOM 1242 CB SER P 38 13.257 -0.246 9.094 1.00 0.00 C ATOM 1243 OG SER P 38 11.861 0.009 9.016 1.00 0.00 O ATOM 0 H SER P 38 12.304 1.781 10.921 1.00 0.00 H new ATOM 0 HA SER P 38 14.766 0.227 10.532 1.00 0.00 H new ATOM 0 HB2 SER P 38 13.716 -0.120 8.113 1.00 0.00 H new ATOM 0 HB3 SER P 38 13.433 -1.278 9.398 1.00 0.00 H new ATOM 0 HG SER P 38 11.452 -0.604 8.370 1.00 0.00 H new ATOM 1249 N CYS P 39 15.534 2.015 8.894 1.00 0.00 N ATOM 1250 CA CYS P 39 16.005 3.196 8.185 1.00 0.00 C ATOM 1251 C CYS P 39 15.412 3.152 6.791 1.00 0.00 C ATOM 1252 O CYS P 39 14.557 2.327 6.508 1.00 0.00 O ATOM 1253 CB CYS P 39 17.529 3.229 8.095 1.00 0.00 C ATOM 1254 SG CYS P 39 18.049 1.719 7.296 1.00 0.00 S ATOM 0 H CYS P 39 16.209 1.253 8.968 1.00 0.00 H new ATOM 0 HA CYS P 39 15.695 4.092 8.723 1.00 0.00 H new ATOM 0 HB2 CYS P 39 17.861 4.098 7.527 1.00 0.00 H new ATOM 0 HB3 CYS P 39 17.971 3.310 9.088 1.00 0.00 H new ATOM 0 HG CYS P 39 18.814 1.043 8.101 1.00 0.00 H new ATOM 1259 N SER P 40 15.866 3.999 5.912 1.00 0.00 N ATOM 1260 CA SER P 40 15.325 3.972 4.563 1.00 0.00 C ATOM 1261 C SER P 40 15.652 2.635 3.885 1.00 0.00 C ATOM 1262 O SER P 40 14.882 2.111 3.078 1.00 0.00 O ATOM 1263 CB SER P 40 15.924 5.114 3.742 1.00 0.00 C ATOM 1264 OG SER P 40 14.967 6.158 3.621 1.00 0.00 O ATOM 0 H SER P 40 16.586 4.700 6.086 1.00 0.00 H new ATOM 0 HA SER P 40 14.243 4.089 4.619 1.00 0.00 H new ATOM 0 HB2 SER P 40 16.828 5.488 4.223 1.00 0.00 H new ATOM 0 HB3 SER P 40 16.214 4.754 2.755 1.00 0.00 H new ATOM 0 HG SER P 40 15.349 6.893 3.096 1.00 0.00 H new ATOM 1270 N ASN P 41 16.810 2.105 4.220 1.00 0.00 N ATOM 1271 CA ASN P 41 17.290 0.861 3.638 1.00 0.00 C ATOM 1272 C ASN P 41 16.564 -0.377 4.153 1.00 0.00 C ATOM 1273 O ASN P 41 15.636 -0.871 3.520 1.00 0.00 O ATOM 1274 CB ASN P 41 18.756 0.717 3.969 1.00 0.00 C ATOM 1275 CG ASN P 41 19.564 1.729 3.165 1.00 0.00 C ATOM 1276 OD1 ASN P 41 19.490 1.765 1.939 1.00 0.00 O ATOM 1277 ND2 ASN P 41 20.334 2.561 3.801 1.00 0.00 N ATOM 0 H ASN P 41 17.446 2.520 4.901 1.00 0.00 H new ATOM 0 HA ASN P 41 17.105 0.920 2.565 1.00 0.00 H new ATOM 0 HB2 ASN P 41 18.915 0.874 5.036 1.00 0.00 H new ATOM 0 HB3 ASN P 41 19.093 -0.295 3.742 1.00 0.00 H new ATOM 0 HD21 ASN P 41 20.881 3.248 3.282 1.00 0.00 H new ATOM 0 HD22 ASN P 41 20.391 2.527 4.819 1.00 0.00 H new ATOM 1284 N CYS P 42 17.008 -0.910 5.284 1.00 0.00 N ATOM 1285 CA CYS P 42 16.372 -2.111 5.793 1.00 0.00 C ATOM 1286 C CYS P 42 14.861 -1.981 5.628 1.00 0.00 C ATOM 1287 O CYS P 42 14.159 -2.949 5.373 1.00 0.00 O ATOM 1288 CB CYS P 42 16.732 -2.361 7.250 1.00 0.00 C ATOM 1289 SG CYS P 42 16.056 -1.128 8.304 1.00 0.00 S ATOM 0 H CYS P 42 17.777 -0.545 5.846 1.00 0.00 H new ATOM 0 HA CYS P 42 16.733 -2.967 5.223 1.00 0.00 H new ATOM 0 HB2 CYS P 42 16.364 -3.341 7.553 1.00 0.00 H new ATOM 0 HB3 CYS P 42 17.816 -2.380 7.359 1.00 0.00 H new ATOM 0 HG CYS P 42 16.583 0.025 8.017 1.00 0.00 H new ATOM 1294 N LYS P 43 14.359 -0.771 5.755 1.00 0.00 N ATOM 1295 CA LYS P 43 12.932 -0.567 5.593 1.00 0.00 C ATOM 1296 C LYS P 43 12.467 -0.947 4.178 1.00 0.00 C ATOM 1297 O LYS P 43 11.526 -1.718 4.051 1.00 0.00 O ATOM 1298 CB LYS P 43 12.528 0.868 5.947 1.00 0.00 C ATOM 1299 CG LYS P 43 12.489 1.753 4.702 1.00 0.00 C ATOM 1300 CD LYS P 43 11.155 1.561 3.979 1.00 0.00 C ATOM 1301 CE LYS P 43 10.170 2.640 4.432 1.00 0.00 C ATOM 1302 NZ LYS P 43 9.833 3.523 3.280 1.00 0.00 N ATOM 0 H LYS P 43 14.900 0.068 5.965 1.00 0.00 H new ATOM 0 HA LYS P 43 12.426 -1.232 6.293 1.00 0.00 H new ATOM 0 HB2 LYS P 43 11.549 0.866 6.426 1.00 0.00 H new ATOM 0 HB3 LYS P 43 13.234 1.280 6.668 1.00 0.00 H new ATOM 0 HG2 LYS P 43 12.615 2.799 4.982 1.00 0.00 H new ATOM 0 HG3 LYS P 43 13.315 1.500 4.037 1.00 0.00 H new ATOM 0 HD2 LYS P 43 11.302 1.617 2.900 1.00 0.00 H new ATOM 0 HD3 LYS P 43 10.752 0.572 4.194 1.00 0.00 H new ATOM 0 HE2 LYS P 43 9.265 2.178 4.826 1.00 0.00 H new ATOM 0 HE3 LYS P 43 10.605 3.229 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 9.163 4.256 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 10.700 3.974 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 9.401 2.956 2.523 1.00 0.00 H new ATOM 1316 N ARG P 44 13.114 -0.452 3.112 1.00 0.00 N ATOM 1317 CA ARG P 44 12.678 -0.837 1.770 1.00 0.00 C ATOM 1318 C ARG P 44 12.876 -2.336 1.558 1.00 0.00 C ATOM 1319 O ARG P 44 12.153 -2.977 0.804 1.00 0.00 O ATOM 1320 CB ARG P 44 13.428 -0.073 0.672 1.00 0.00 C ATOM 1321 CG ARG P 44 14.827 0.386 1.098 1.00 0.00 C ATOM 1322 CD ARG P 44 15.063 1.829 0.618 1.00 0.00 C ATOM 1323 NE ARG P 44 14.814 1.940 -0.815 1.00 0.00 N ATOM 1324 CZ ARG P 44 13.625 2.318 -1.291 1.00 0.00 C ATOM 1325 NH1 ARG P 44 12.655 2.649 -0.478 1.00 0.00 N ATOM 1326 NH2 ARG P 44 13.428 2.383 -2.580 1.00 0.00 N ATOM 0 H ARG P 44 13.907 0.188 3.151 1.00 0.00 H new ATOM 0 HA ARG P 44 11.621 -0.583 1.698 1.00 0.00 H new ATOM 0 HB2 ARG P 44 13.515 -0.709 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG P 44 12.841 0.798 0.380 1.00 0.00 H new ATOM 0 HG2 ARG P 44 14.924 0.332 2.182 1.00 0.00 H new ATOM 0 HG3 ARG P 44 15.583 -0.277 0.676 1.00 0.00 H new ATOM 0 HD2 ARG P 44 14.408 2.510 1.160 1.00 0.00 H new ATOM 0 HD3 ARG P 44 16.087 2.129 0.839 1.00 0.00 H new ATOM 0 HE ARG P 44 15.566 1.724 -1.469 1.00 0.00 H new ATOM 0 HH11 ARG P 44 12.803 2.620 0.531 1.00 0.00 H new ATOM 0 HH12 ARG P 44 11.751 2.936 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG P 44 14.182 2.145 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG P 44 12.520 2.672 -2.943 1.00 0.00 H new ATOM 1340 N TRP P 45 13.873 -2.867 2.225 1.00 0.00 N ATOM 1341 CA TRP P 45 14.203 -4.291 2.122 1.00 0.00 C ATOM 1342 C TRP P 45 13.766 -5.075 3.349 1.00 0.00 C ATOM 1343 O TRP P 45 14.324 -6.128 3.652 1.00 0.00 O ATOM 1344 CB TRP P 45 15.706 -4.424 1.924 1.00 0.00 C ATOM 1345 CG TRP P 45 15.974 -3.721 0.664 1.00 0.00 C ATOM 1346 CD1 TRP P 45 15.133 -3.768 -0.368 1.00 0.00 C ATOM 1347 CD2 TRP P 45 17.075 -2.855 0.278 1.00 0.00 C ATOM 1348 NE1 TRP P 45 15.606 -2.983 -1.368 1.00 0.00 N ATOM 1349 CE2 TRP P 45 16.823 -2.395 -1.040 1.00 0.00 C ATOM 1350 CE3 TRP P 45 18.251 -2.423 0.919 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 17.715 -1.535 -1.690 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 19.142 -1.558 0.263 1.00 0.00 C ATOM 1353 CH2 TRP P 45 18.871 -1.119 -1.039 1.00 0.00 C ATOM 0 H TRP P 45 14.481 -2.340 2.852 1.00 0.00 H new ATOM 0 HA TRP P 45 13.663 -4.710 1.273 1.00 0.00 H new ATOM 0 HB2 TRP P 45 16.257 -3.978 2.752 1.00 0.00 H new ATOM 0 HB3 TRP P 45 16.008 -5.470 1.867 1.00 0.00 H new ATOM 0 HD1 TRP P 45 14.218 -4.341 -0.403 1.00 0.00 H new ATOM 0 HE1 TRP P 45 15.125 -2.841 -2.256 1.00 0.00 H new ATOM 0 HE3 TRP P 45 18.470 -2.759 1.922 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 17.506 -1.196 -2.694 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 20.040 -1.230 0.765 1.00 0.00 H new ATOM 0 HH2 TRP P 45 19.562 -0.456 -1.539 1.00 0.00 H new ATOM 1364 N ASN P 46 12.754 -4.562 4.028 1.00 0.00 N ATOM 1365 CA ASN P 46 12.226 -5.218 5.215 1.00 0.00 C ATOM 1366 C ASN P 46 13.317 -6.039 5.904 1.00 0.00 C ATOM 1367 O ASN P 46 13.074 -7.134 6.408 1.00 0.00 O ATOM 1368 CB ASN P 46 11.067 -6.131 4.827 1.00 0.00 C ATOM 1369 CG ASN P 46 11.610 -7.459 4.318 1.00 0.00 C ATOM 1370 OD1 ASN P 46 11.593 -8.462 5.029 1.00 0.00 O ATOM 1371 ND2 ASN P 46 12.095 -7.518 3.117 1.00 0.00 N ATOM 0 H ASN P 46 12.281 -3.693 3.779 1.00 0.00 H new ATOM 0 HA ASN P 46 11.873 -4.453 5.907 1.00 0.00 H new ATOM 0 HB2 ASN P 46 10.419 -6.298 5.687 1.00 0.00 H new ATOM 0 HB3 ASN P 46 10.459 -5.656 4.057 1.00 0.00 H new ATOM 0 HD21 ASN P 46 12.464 -8.399 2.759 1.00 0.00 H new ATOM 0 HD22 ASN P 46 12.107 -6.684 2.530 1.00 0.00 H new ATOM 1378 N LYS P 47 14.525 -5.503 5.886 1.00 0.00 N ATOM 1379 CA LYS P 47 15.668 -6.172 6.467 1.00 0.00 C ATOM 1380 C LYS P 47 15.604 -6.169 7.994 1.00 0.00 C ATOM 1381 O LYS P 47 14.667 -6.710 8.581 1.00 0.00 O ATOM 1382 CB LYS P 47 16.938 -5.467 6.004 1.00 0.00 C ATOM 1383 CG LYS P 47 17.187 -5.777 4.527 1.00 0.00 C ATOM 1384 CD LYS P 47 17.178 -7.291 4.311 1.00 0.00 C ATOM 1385 CE LYS P 47 18.057 -7.964 5.366 1.00 0.00 C ATOM 1386 NZ LYS P 47 18.350 -9.364 4.948 1.00 0.00 N ATOM 0 H LYS P 47 14.737 -4.596 5.470 1.00 0.00 H new ATOM 0 HA LYS P 47 15.667 -7.211 6.138 1.00 0.00 H new ATOM 0 HB2 LYS P 47 16.842 -4.391 6.149 1.00 0.00 H new ATOM 0 HB3 LYS P 47 17.787 -5.795 6.603 1.00 0.00 H new ATOM 0 HG2 LYS P 47 16.419 -5.307 3.912 1.00 0.00 H new ATOM 0 HG3 LYS P 47 18.145 -5.361 4.214 1.00 0.00 H new ATOM 0 HD2 LYS P 47 16.159 -7.672 4.375 1.00 0.00 H new ATOM 0 HD3 LYS P 47 17.544 -7.528 3.312 1.00 0.00 H new ATOM 0 HE2 LYS P 47 18.986 -7.408 5.489 1.00 0.00 H new ATOM 0 HE3 LYS P 47 17.552 -7.960 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 18.948 -9.822 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 17.459 -9.891 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 18.848 -9.357 4.035 1.00 0.00 H new ATOM 1400 N ASP P 48 16.624 -5.621 8.642 1.00 0.00 N ATOM 1401 CA ASP P 48 16.667 -5.646 10.071 1.00 0.00 C ATOM 1402 C ASP P 48 17.417 -4.458 10.686 1.00 0.00 C ATOM 1403 O ASP P 48 18.505 -4.632 11.221 1.00 0.00 O ATOM 1404 CB ASP P 48 17.404 -6.904 10.439 1.00 0.00 C ATOM 1405 CG ASP P 48 18.545 -7.134 9.445 1.00 0.00 C ATOM 1406 OD1 ASP P 48 18.289 -7.718 8.405 1.00 0.00 O ATOM 1407 OD2 ASP P 48 19.654 -6.721 9.741 1.00 0.00 O ATOM 0 H ASP P 48 17.417 -5.162 8.194 1.00 0.00 H new ATOM 0 HA ASP P 48 15.647 -5.598 10.451 1.00 0.00 H new ATOM 0 HB2 ASP P 48 17.800 -6.824 11.451 1.00 0.00 H new ATOM 0 HB3 ASP P 48 16.722 -7.754 10.430 1.00 0.00 H new ATOM 1412 N CYS P 49 16.827 -3.273 10.637 1.00 0.00 N ATOM 1413 CA CYS P 49 17.457 -2.091 11.238 1.00 0.00 C ATOM 1414 C CYS P 49 18.107 -2.467 12.564 1.00 0.00 C ATOM 1415 O CYS P 49 17.485 -2.315 13.609 1.00 0.00 O ATOM 1416 CB CYS P 49 16.397 -1.025 11.558 1.00 0.00 C ATOM 1417 SG CYS P 49 17.053 0.635 11.208 1.00 0.00 S ATOM 0 H CYS P 49 15.925 -3.098 10.195 1.00 0.00 H new ATOM 0 HA CYS P 49 18.192 -1.711 10.528 1.00 0.00 H new ATOM 0 HB2 CYS P 49 15.501 -1.203 10.964 1.00 0.00 H new ATOM 0 HB3 CYS P 49 16.104 -1.095 12.606 1.00 0.00 H new ATOM 0 HG CYS P 49 16.255 1.531 11.708 1.00 0.00 H new ATOM 1422 N THR P 50 19.336 -2.963 12.543 1.00 0.00 N ATOM 1423 CA THR P 50 19.967 -3.338 13.808 1.00 0.00 C ATOM 1424 C THR P 50 21.486 -3.154 13.806 1.00 0.00 C ATOM 1425 O THR P 50 22.173 -3.493 12.831 1.00 0.00 O ATOM 1426 CB THR P 50 19.647 -4.794 14.144 1.00 0.00 C ATOM 1427 OG1 THR P 50 19.651 -5.571 12.960 1.00 0.00 O ATOM 1428 CG2 THR P 50 18.277 -4.876 14.800 1.00 0.00 C ATOM 0 H THR P 50 19.899 -3.112 11.706 1.00 0.00 H new ATOM 0 HA THR P 50 19.557 -2.666 14.562 1.00 0.00 H new ATOM 0 HB THR P 50 20.402 -5.178 14.829 1.00 0.00 H new ATOM 0 HG1 THR P 50 18.909 -5.292 12.383 1.00 0.00 H new ATOM 0 HG21 THR P 50 18.050 -5.915 15.039 1.00 0.00 H new ATOM 0 HG22 THR P 50 18.276 -4.284 15.715 1.00 0.00 H new ATOM 0 HG23 THR P 50 17.522 -4.488 14.116 1.00 0.00 H new ATOM 1436 N PHE P 51 21.979 -2.619 14.939 1.00 0.00 N ATOM 1437 CA PHE P 51 23.411 -2.378 15.181 1.00 0.00 C ATOM 1438 C PHE P 51 23.778 -3.035 16.524 1.00 0.00 C ATOM 1439 O PHE P 51 24.702 -2.602 17.210 1.00 0.00 O ATOM 1440 CB PHE P 51 23.724 -0.875 15.370 1.00 0.00 C ATOM 1441 CG PHE P 51 23.381 -0.015 14.169 1.00 0.00 C ATOM 1442 CD1 PHE P 51 22.636 -0.514 13.105 1.00 0.00 C ATOM 1443 CD2 PHE P 51 23.806 1.321 14.150 1.00 0.00 C ATOM 1444 CE1 PHE P 51 22.314 0.307 12.026 1.00 0.00 C ATOM 1445 CE2 PHE P 51 23.488 2.144 13.065 1.00 0.00 C ATOM 1446 CZ PHE P 51 22.739 1.633 12.003 1.00 0.00 C ATOM 0 H PHE P 51 21.386 -2.339 15.720 1.00 0.00 H new ATOM 0 HA PHE P 51 23.960 -2.771 14.325 1.00 0.00 H new ATOM 0 HB2 PHE P 51 23.174 -0.507 16.236 1.00 0.00 H new ATOM 0 HB3 PHE P 51 24.785 -0.761 15.594 1.00 0.00 H new ATOM 0 HD1 PHE P 51 22.306 -1.542 13.115 1.00 0.00 H new ATOM 0 HD2 PHE P 51 24.380 1.715 14.975 1.00 0.00 H new ATOM 0 HE1 PHE P 51 21.733 -0.086 11.205 1.00 0.00 H new ATOM 0 HE2 PHE P 51 23.821 3.171 13.048 1.00 0.00 H new ATOM 0 HZ PHE P 51 22.489 2.266 11.164 1.00 0.00 H new ATOM 1456 N ASN P 52 23.007 -4.039 16.915 1.00 0.00 N ATOM 1457 CA ASN P 52 23.202 -4.705 18.204 1.00 0.00 C ATOM 1458 C ASN P 52 23.970 -6.000 18.055 1.00 0.00 C ATOM 1459 O ASN P 52 25.185 -6.037 18.236 1.00 0.00 O ATOM 1460 CB ASN P 52 21.841 -4.993 18.812 1.00 0.00 C ATOM 1461 CG ASN P 52 20.970 -3.785 18.564 1.00 0.00 C ATOM 1462 OD1 ASN P 52 20.689 -3.000 19.469 1.00 0.00 O ATOM 1463 ND2 ASN P 52 20.527 -3.596 17.366 1.00 0.00 N ATOM 0 H ASN P 52 22.238 -4.414 16.360 1.00 0.00 H new ATOM 0 HA ASN P 52 23.784 -4.047 18.849 1.00 0.00 H new ATOM 0 HB2 ASN P 52 21.400 -5.883 18.362 1.00 0.00 H new ATOM 0 HB3 ASN P 52 21.932 -5.188 19.881 1.00 0.00 H new ATOM 0 HD21 ASN P 52 19.937 -2.789 17.162 1.00 0.00 H new ATOM 0 HD22 ASN P 52 20.767 -4.254 16.624 1.00 0.00 H new ATOM 1470 N TRP P 53 23.266 -7.053 17.670 1.00 0.00 N ATOM 1471 CA TRP P 53 23.912 -8.315 17.438 1.00 0.00 C ATOM 1472 C TRP P 53 25.197 -8.005 16.698 1.00 0.00 C ATOM 1473 O TRP P 53 26.202 -8.707 16.803 1.00 0.00 O ATOM 1474 CB TRP P 53 23.012 -9.173 16.560 1.00 0.00 C ATOM 1475 CG TRP P 53 22.674 -8.399 15.326 1.00 0.00 C ATOM 1476 CD1 TRP P 53 22.047 -7.197 15.297 1.00 0.00 C ATOM 1477 CD2 TRP P 53 22.931 -8.750 13.942 1.00 0.00 C ATOM 1478 NE1 TRP P 53 21.929 -6.784 14.000 1.00 0.00 N ATOM 1479 CE2 TRP P 53 22.437 -7.714 13.118 1.00 0.00 C ATOM 1480 CE3 TRP P 53 23.540 -9.854 13.327 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 22.536 -7.774 11.738 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 23.643 -9.921 11.930 1.00 0.00 C ATOM 1483 CH2 TRP P 53 23.137 -8.884 11.136 1.00 0.00 C ATOM 0 H TRP P 53 22.258 -7.050 17.515 1.00 0.00 H new ATOM 0 HA TRP P 53 24.110 -8.849 18.367 1.00 0.00 H new ATOM 0 HB2 TRP P 53 23.515 -10.104 16.297 1.00 0.00 H new ATOM 0 HB3 TRP P 53 22.103 -9.443 17.098 1.00 0.00 H new ATOM 0 HD1 TRP P 53 21.697 -6.653 16.162 1.00 0.00 H new ATOM 0 HE1 TRP P 53 21.515 -5.895 13.718 1.00 0.00 H new ATOM 0 HE3 TRP P 53 23.932 -10.657 13.933 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 22.151 -6.968 11.130 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 24.114 -10.775 11.465 1.00 0.00 H new ATOM 0 HH2 TRP P 53 23.211 -8.942 10.060 1.00 0.00 H new ATOM 1494 N LEU P 54 25.135 -6.902 15.966 1.00 0.00 N ATOM 1495 CA LEU P 54 26.267 -6.420 15.214 1.00 0.00 C ATOM 1496 C LEU P 54 27.233 -5.719 16.139 1.00 0.00 C ATOM 1497 O LEU P 54 28.416 -6.013 16.170 1.00 0.00 O ATOM 1498 CB LEU P 54 25.769 -5.421 14.208 1.00 0.00 C ATOM 1499 CG LEU P 54 24.671 -6.083 13.446 1.00 0.00 C ATOM 1500 CD1 LEU P 54 24.056 -5.073 12.493 1.00 0.00 C ATOM 1501 CD2 LEU P 54 25.260 -7.258 12.679 1.00 0.00 C ATOM 0 H LEU P 54 24.299 -6.324 15.882 1.00 0.00 H new ATOM 0 HA LEU P 54 26.768 -7.256 14.726 1.00 0.00 H new ATOM 0 HB2 LEU P 54 25.406 -4.521 14.705 1.00 0.00 H new ATOM 0 HB3 LEU P 54 26.573 -5.114 13.539 1.00 0.00 H new ATOM 0 HG LEU P 54 23.894 -6.447 14.118 1.00 0.00 H new ATOM 0 HD11 LEU P 54 23.252 -5.547 11.930 1.00 0.00 H new ATOM 0 HD12 LEU P 54 23.656 -4.233 13.061 1.00 0.00 H new ATOM 0 HD13 LEU P 54 24.819 -4.713 11.802 1.00 0.00 H new ATOM 0 HD21 LEU P 54 24.472 -7.756 12.115 1.00 0.00 H new ATOM 0 HD22 LEU P 54 26.026 -6.897 11.992 1.00 0.00 H new ATOM 0 HD23 LEU P 54 25.705 -7.964 13.380 1.00 0.00 H new ATOM 1513 N SER P 55 26.702 -4.787 16.900 1.00 0.00 N ATOM 1514 CA SER P 55 27.520 -4.053 17.847 1.00 0.00 C ATOM 1515 C SER P 55 28.505 -5.025 18.494 1.00 0.00 C ATOM 1516 O SER P 55 29.617 -4.657 18.871 1.00 0.00 O ATOM 1517 CB SER P 55 26.638 -3.424 18.927 1.00 0.00 C ATOM 1518 OG SER P 55 26.616 -2.014 18.752 1.00 0.00 O ATOM 0 H SER P 55 25.718 -4.520 16.884 1.00 0.00 H new ATOM 0 HA SER P 55 28.058 -3.259 17.329 1.00 0.00 H new ATOM 0 HB2 SER P 55 25.626 -3.825 18.866 1.00 0.00 H new ATOM 0 HB3 SER P 55 27.021 -3.673 19.917 1.00 0.00 H new ATOM 0 HG SER P 55 25.913 -1.775 18.112 1.00 0.00 H new ATOM 1524 N SER P 56 28.080 -6.278 18.596 1.00 0.00 N ATOM 1525 CA SER P 56 28.915 -7.316 19.169 1.00 0.00 C ATOM 1526 C SER P 56 29.729 -8.000 18.066 1.00 0.00 C ATOM 1527 O SER P 56 30.893 -8.348 18.260 1.00 0.00 O ATOM 1528 CB SER P 56 28.040 -8.356 19.869 1.00 0.00 C ATOM 1529 OG SER P 56 27.731 -7.904 21.181 1.00 0.00 O ATOM 0 H SER P 56 27.161 -6.596 18.288 1.00 0.00 H new ATOM 0 HA SER P 56 29.594 -6.864 19.892 1.00 0.00 H new ATOM 0 HB2 SER P 56 27.123 -8.517 19.302 1.00 0.00 H new ATOM 0 HB3 SER P 56 28.559 -9.313 19.915 1.00 0.00 H new ATOM 0 HG SER P 56 27.169 -8.568 21.632 1.00 0.00 H new ATOM 1535 N GLN P 57 29.107 -8.184 16.904 1.00 0.00 N ATOM 1536 CA GLN P 57 29.785 -8.820 15.780 1.00 0.00 C ATOM 1537 C GLN P 57 30.708 -7.825 15.076 1.00 0.00 C ATOM 1538 O GLN P 57 31.372 -8.159 14.095 1.00 0.00 O ATOM 1539 CB GLN P 57 28.749 -9.325 14.771 1.00 0.00 C ATOM 1540 CG GLN P 57 29.444 -9.676 13.451 1.00 0.00 C ATOM 1541 CD GLN P 57 29.415 -8.478 12.488 1.00 0.00 C ATOM 1542 OE1 GLN P 57 29.686 -8.633 11.298 1.00 0.00 O ATOM 1543 NE2 GLN P 57 29.102 -7.286 12.928 1.00 0.00 N ATOM 0 H GLN P 57 28.144 -7.904 16.718 1.00 0.00 H new ATOM 0 HA GLN P 57 30.376 -9.652 16.163 1.00 0.00 H new ATOM 0 HB2 GLN P 57 28.237 -10.202 15.168 1.00 0.00 H new ATOM 0 HB3 GLN P 57 27.989 -8.562 14.602 1.00 0.00 H new ATOM 0 HG2 GLN P 57 30.476 -9.969 13.644 1.00 0.00 H new ATOM 0 HG3 GLN P 57 28.950 -10.532 12.990 1.00 0.00 H new ATOM 0 HE21 GLN P 57 28.876 -7.149 13.913 1.00 0.00 H new ATOM 0 HE22 GLN P 57 29.084 -6.494 12.286 1.00 0.00 H new