USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=16 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 12 CYS SG : rot -144:sc= -0.2 USER MOD Set 1.2: P 15 CYS SG : rot 123:sc= -10.6! USER MOD Set 1.3: P 22 CYS SG : rot -138:sc= -1.66! USER MOD Set 1.4: P 39 CYS SG : rot -133:sc= -0.119! USER MOD Set 1.5: P 41 ASN : amide:sc= -16.2! C(o=-34!,f=-39!) USER MOD Set 1.6: P 42 CYS SG : rot 79:sc= -5.17! USER MOD Set 1.7: P 49 CYS SG : rot -46:sc= -0.196 USER MOD Single : P 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 9 ASN :FLIP amide:sc= -0.678 F(o=-4.6!,f=-0.68) USER MOD Single : P 10 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : P 11 SER OG : rot 180:sc= 0 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 :FLIP amide:sc= -0.0309 F(o=-2.4!,f=-0.031) USER MOD Single : P 29 ASN : amide:sc= -0.0105 X(o=-0.011,f=-0.04) USER MOD Single : P 32 ASN : amide:sc= -7.91! C(o=-7.9!,f=-8.8!) USER MOD Single : P 34 ASN :FLIP amide:sc= -1.62! C(o=-3.9!,f=-1.6!) USER MOD Single : P 38 SER OG : rot -152:sc= -3.01! USER MOD Single : P 40 SER OG : rot 180:sc= -0.0211 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -86:sc= 0.526 USER MOD Single : P 52 ASN :FLIP amide:sc= -0.31 F(o=-3.9!,f=-0.31) USER MOD Single : P 55 SER OG : rot 180:sc= 0 USER MOD Single : P 56 SER OG : rot -40:sc= 1.23 USER MOD Single : P 57 GLN : amide:sc= -2.51! C(o=-2.5!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 6.480 -6.963 24.155 1.00 0.00 N ATOM 734 CA ARG P 6 5.315 -6.338 24.788 1.00 0.00 C ATOM 735 C ARG P 6 5.424 -4.820 25.006 1.00 0.00 C ATOM 736 O ARG P 6 6.484 -4.266 25.295 1.00 0.00 O ATOM 737 CB ARG P 6 5.044 -6.995 26.149 1.00 0.00 C ATOM 738 CG ARG P 6 4.052 -8.142 25.974 1.00 0.00 C ATOM 739 CD ARG P 6 4.226 -8.731 24.580 1.00 0.00 C ATOM 740 NE ARG P 6 3.747 -10.096 24.544 1.00 0.00 N ATOM 741 CZ ARG P 6 4.461 -11.080 25.062 1.00 0.00 C ATOM 742 NH1 ARG P 6 5.580 -10.819 25.682 1.00 0.00 N ATOM 743 NH2 ARG P 6 4.034 -12.306 24.968 1.00 0.00 N ATOM 0 HA ARG P 6 4.499 -6.495 24.082 1.00 0.00 H new ATOM 0 HB2 ARG P 6 5.975 -7.368 26.576 1.00 0.00 H new ATOM 0 HB3 ARG P 6 4.645 -6.259 26.847 1.00 0.00 H new ATOM 0 HG2 ARG P 6 4.222 -8.907 26.731 1.00 0.00 H new ATOM 0 HG3 ARG P 6 3.032 -7.783 26.108 1.00 0.00 H new ATOM 0 HD2 ARG P 6 3.681 -8.129 23.853 1.00 0.00 H new ATOM 0 HD3 ARG P 6 5.277 -8.701 24.294 1.00 0.00 H new ATOM 0 HE ARG P 6 2.846 -10.302 24.113 1.00 0.00 H new ATOM 0 HH11 ARG P 6 5.903 -9.855 25.767 1.00 0.00 H new ATOM 0 HH12 ARG P 6 6.131 -11.579 26.082 1.00 0.00 H new ATOM 0 HH21 ARG P 6 3.152 -12.504 24.496 1.00 0.00 H new ATOM 0 HH22 ARG P 6 4.582 -13.069 25.366 1.00 0.00 H new ATOM 757 N ARG P 7 4.251 -4.201 24.926 1.00 0.00 N ATOM 758 CA ARG P 7 4.046 -2.774 25.167 1.00 0.00 C ATOM 759 C ARG P 7 4.896 -1.806 24.333 1.00 0.00 C ATOM 760 O ARG P 7 5.246 -0.735 24.827 1.00 0.00 O ATOM 761 CB ARG P 7 4.287 -2.470 26.641 1.00 0.00 C ATOM 762 CG ARG P 7 3.311 -1.380 27.078 1.00 0.00 C ATOM 763 CD ARG P 7 1.983 -2.020 27.478 1.00 0.00 C ATOM 764 NE ARG P 7 1.544 -1.488 28.760 1.00 0.00 N ATOM 765 CZ ARG P 7 0.543 -2.046 29.423 1.00 0.00 C ATOM 766 NH1 ARG P 7 -0.067 -3.088 28.928 1.00 0.00 N ATOM 767 NH2 ARG P 7 0.166 -1.554 30.572 1.00 0.00 N ATOM 0 H ARG P 7 3.390 -4.692 24.685 1.00 0.00 H new ATOM 0 HA ARG P 7 3.017 -2.598 24.855 1.00 0.00 H new ATOM 0 HB2 ARG P 7 4.144 -3.369 27.241 1.00 0.00 H new ATOM 0 HB3 ARG P 7 5.315 -2.142 26.797 1.00 0.00 H new ATOM 0 HG2 ARG P 7 3.725 -0.820 27.917 1.00 0.00 H new ATOM 0 HG3 ARG P 7 3.155 -0.669 26.267 1.00 0.00 H new ATOM 0 HD2 ARG P 7 1.230 -1.823 26.715 1.00 0.00 H new ATOM 0 HD3 ARG P 7 2.096 -3.102 27.543 1.00 0.00 H new ATOM 0 HE ARG P 7 2.015 -0.673 29.153 1.00 0.00 H new ATOM 0 HH11 ARG P 7 0.227 -3.473 28.030 1.00 0.00 H new ATOM 0 HH12 ARG P 7 -0.838 -3.518 29.439 1.00 0.00 H new ATOM 0 HH21 ARG P 7 0.643 -0.740 30.959 1.00 0.00 H new ATOM 0 HH22 ARG P 7 -0.605 -1.984 31.083 1.00 0.00 H new ATOM 781 N GLN P 8 5.196 -2.108 23.081 1.00 0.00 N ATOM 782 CA GLN P 8 5.949 -1.145 22.299 1.00 0.00 C ATOM 783 C GLN P 8 4.984 -0.224 21.544 1.00 0.00 C ATOM 784 O GLN P 8 5.232 0.973 21.406 1.00 0.00 O ATOM 785 CB GLN P 8 6.856 -1.850 21.315 1.00 0.00 C ATOM 786 CG GLN P 8 8.311 -1.493 21.605 1.00 0.00 C ATOM 787 CD GLN P 8 9.187 -2.157 20.552 1.00 0.00 C ATOM 788 OE1 GLN P 8 9.770 -1.486 19.702 1.00 0.00 O ATOM 789 NE2 GLN P 8 9.311 -3.451 20.564 1.00 0.00 N ATOM 0 H GLN P 8 4.943 -2.972 22.602 1.00 0.00 H new ATOM 0 HA GLN P 8 6.564 -0.552 22.976 1.00 0.00 H new ATOM 0 HB2 GLN P 8 6.716 -2.929 21.386 1.00 0.00 H new ATOM 0 HB3 GLN P 8 6.597 -1.561 20.296 1.00 0.00 H new ATOM 0 HG2 GLN P 8 8.448 -0.412 21.585 1.00 0.00 H new ATOM 0 HG3 GLN P 8 8.593 -1.832 22.602 1.00 0.00 H new ATOM 0 HE21 GLN P 8 8.826 -4.003 21.271 1.00 0.00 H new ATOM 0 HE22 GLN P 8 9.894 -3.914 19.867 1.00 0.00 H new ATOM 798 N ASN P 9 3.874 -0.786 21.071 1.00 0.00 N ATOM 799 CA ASN P 9 2.882 0.011 20.354 1.00 0.00 C ATOM 800 C ASN P 9 1.653 -0.814 19.936 1.00 0.00 C ATOM 801 O ASN P 9 0.939 -0.428 19.017 1.00 0.00 O ATOM 802 CB ASN P 9 3.505 0.636 19.105 1.00 0.00 C ATOM 803 CG ASN P 9 4.565 -0.298 18.523 1.00 0.00 C ATOM 804 OD1 ASN P 9 4.238 -1.510 18.170 1.00 0.00 O flip ATOM 805 ND2 ASN P 9 5.726 0.086 18.385 1.00 0.00 N flip ATOM 0 H ASN P 9 3.641 -1.774 21.169 1.00 0.00 H new ATOM 0 HA ASN P 9 2.550 0.788 21.043 1.00 0.00 H new ATOM 0 HB2 ASN P 9 2.732 0.829 18.361 1.00 0.00 H new ATOM 0 HB3 ASN P 9 3.954 1.597 19.355 1.00 0.00 H new ATOM 0 HD21 ASN P 9 5.986 1.033 18.660 1.00 0.00 H new ATOM 0 HD22 ASN P 9 6.428 -0.543 17.996 1.00 0.00 H new ATOM 812 N HIS P 10 1.390 -1.925 20.618 1.00 0.00 N ATOM 813 CA HIS P 10 0.230 -2.743 20.306 1.00 0.00 C ATOM 814 C HIS P 10 0.144 -3.088 18.818 1.00 0.00 C ATOM 815 O HIS P 10 0.651 -2.378 17.954 1.00 0.00 O ATOM 816 CB HIS P 10 -1.041 -1.997 20.718 1.00 0.00 C ATOM 817 CG HIS P 10 -0.906 -1.519 22.138 1.00 0.00 C ATOM 818 ND1 HIS P 10 -1.553 -2.146 23.195 1.00 0.00 N ATOM 819 CD2 HIS P 10 -0.203 -0.477 22.693 1.00 0.00 C ATOM 820 CE1 HIS P 10 -1.230 -1.482 24.322 1.00 0.00 C ATOM 821 NE2 HIS P 10 -0.407 -0.455 24.067 1.00 0.00 N ATOM 0 H HIS P 10 1.963 -2.275 21.386 1.00 0.00 H new ATOM 0 HA HIS P 10 0.330 -3.677 20.859 1.00 0.00 H new ATOM 0 HB2 HIS P 10 -1.210 -1.150 20.053 1.00 0.00 H new ATOM 0 HB3 HIS P 10 -1.907 -2.653 20.625 1.00 0.00 H new ATOM 0 HD2 HIS P 10 0.414 0.219 22.144 1.00 0.00 H new ATOM 0 HE1 HIS P 10 -1.589 -1.744 25.306 1.00 0.00 H new ATOM 0 HE2 HIS P 10 -0.014 0.203 24.740 1.00 0.00 H new ATOM 830 N SER P 11 -0.518 -4.196 18.547 1.00 0.00 N ATOM 831 CA SER P 11 -0.702 -4.664 17.174 1.00 0.00 C ATOM 832 C SER P 11 -2.179 -5.004 16.908 1.00 0.00 C ATOM 833 O SER P 11 -2.921 -5.336 17.828 1.00 0.00 O ATOM 834 CB SER P 11 0.152 -5.908 16.934 1.00 0.00 C ATOM 835 OG SER P 11 0.947 -6.161 18.084 1.00 0.00 O ATOM 0 H SER P 11 -0.941 -4.795 19.256 1.00 0.00 H new ATOM 0 HA SER P 11 -0.396 -3.868 16.496 1.00 0.00 H new ATOM 0 HB2 SER P 11 -0.486 -6.766 16.723 1.00 0.00 H new ATOM 0 HB3 SER P 11 0.789 -5.763 16.062 1.00 0.00 H new ATOM 0 HG SER P 11 1.495 -6.959 17.934 1.00 0.00 H new ATOM 841 N CYS P 12 -2.598 -4.907 15.647 1.00 0.00 N ATOM 842 CA CYS P 12 -4.000 -5.199 15.286 1.00 0.00 C ATOM 843 C CYS P 12 -4.373 -6.651 15.529 1.00 0.00 C ATOM 844 O CYS P 12 -3.514 -7.525 15.594 1.00 0.00 O ATOM 845 CB CYS P 12 -4.233 -4.910 13.810 1.00 0.00 C ATOM 846 SG CYS P 12 -3.429 -3.365 13.415 1.00 0.00 S ATOM 0 H CYS P 12 -2.004 -4.634 14.864 1.00 0.00 H new ATOM 0 HA CYS P 12 -4.617 -4.562 15.920 1.00 0.00 H new ATOM 0 HB2 CYS P 12 -3.831 -5.716 13.196 1.00 0.00 H new ATOM 0 HB3 CYS P 12 -5.300 -4.849 13.598 1.00 0.00 H new ATOM 0 HG CYS P 12 -4.145 -2.713 12.548 1.00 0.00 H new ATOM 851 N ASP P 13 -5.675 -6.905 15.637 1.00 0.00 N ATOM 852 CA ASP P 13 -6.137 -8.275 15.852 1.00 0.00 C ATOM 853 C ASP P 13 -5.524 -9.233 14.828 1.00 0.00 C ATOM 854 O ASP P 13 -5.031 -10.310 15.174 1.00 0.00 O ATOM 855 CB ASP P 13 -7.643 -8.347 15.704 1.00 0.00 C ATOM 856 CG ASP P 13 -7.991 -9.438 14.692 1.00 0.00 C ATOM 857 OD1 ASP P 13 -7.795 -10.598 15.012 1.00 0.00 O ATOM 858 OD2 ASP P 13 -8.447 -9.095 13.614 1.00 0.00 O ATOM 0 H ASP P 13 -6.412 -6.202 15.581 1.00 0.00 H new ATOM 0 HA ASP P 13 -5.832 -8.565 16.857 1.00 0.00 H new ATOM 0 HB2 ASP P 13 -8.106 -8.565 16.666 1.00 0.00 H new ATOM 0 HB3 ASP P 13 -8.035 -7.386 15.372 1.00 0.00 H new ATOM 863 N PRO P 14 -5.547 -8.853 13.543 1.00 0.00 N ATOM 864 CA PRO P 14 -5.000 -9.684 12.462 1.00 0.00 C ATOM 865 C PRO P 14 -3.483 -9.718 12.531 1.00 0.00 C ATOM 866 O PRO P 14 -2.829 -10.665 12.079 1.00 0.00 O ATOM 867 CB PRO P 14 -5.510 -8.997 11.195 1.00 0.00 C ATOM 868 CG PRO P 14 -5.673 -7.543 11.604 1.00 0.00 C ATOM 869 CD PRO P 14 -6.080 -7.561 13.072 1.00 0.00 C ATOM 0 HA PRO P 14 -5.308 -10.728 12.512 1.00 0.00 H new ATOM 0 HB2 PRO P 14 -4.803 -9.103 10.372 1.00 0.00 H new ATOM 0 HB3 PRO P 14 -6.455 -9.426 10.861 1.00 0.00 H new ATOM 0 HG2 PRO P 14 -4.743 -6.992 11.464 1.00 0.00 H new ATOM 0 HG3 PRO P 14 -6.431 -7.049 10.995 1.00 0.00 H new ATOM 0 HD2 PRO P 14 -5.651 -6.722 13.621 1.00 0.00 H new ATOM 0 HD3 PRO P 14 -7.162 -7.502 13.193 1.00 0.00 H new ATOM 877 N CYS P 15 -2.936 -8.692 13.151 1.00 0.00 N ATOM 878 CA CYS P 15 -1.512 -8.618 13.327 1.00 0.00 C ATOM 879 C CYS P 15 -1.087 -9.715 14.293 1.00 0.00 C ATOM 880 O CYS P 15 -0.128 -10.434 14.053 1.00 0.00 O ATOM 881 CB CYS P 15 -1.132 -7.233 13.854 1.00 0.00 C ATOM 882 SG CYS P 15 -0.811 -6.183 12.421 1.00 0.00 S ATOM 0 H CYS P 15 -3.458 -7.905 13.537 1.00 0.00 H new ATOM 0 HA CYS P 15 -0.998 -8.766 12.377 1.00 0.00 H new ATOM 0 HB2 CYS P 15 -1.937 -6.819 14.461 1.00 0.00 H new ATOM 0 HB3 CYS P 15 -0.250 -7.293 14.492 1.00 0.00 H new ATOM 0 HG CYS P 15 -1.582 -5.138 12.468 1.00 0.00 H new ATOM 887 N ARG P 16 -1.846 -9.869 15.361 1.00 0.00 N ATOM 888 CA ARG P 16 -1.563 -10.912 16.327 1.00 0.00 C ATOM 889 C ARG P 16 -1.701 -12.276 15.655 1.00 0.00 C ATOM 890 O ARG P 16 -0.997 -13.227 15.991 1.00 0.00 O ATOM 891 CB ARG P 16 -2.547 -10.812 17.491 1.00 0.00 C ATOM 892 CG ARG P 16 -2.390 -9.448 18.158 1.00 0.00 C ATOM 893 CD ARG P 16 -3.761 -8.800 18.349 1.00 0.00 C ATOM 894 NE ARG P 16 -3.703 -7.898 19.489 1.00 0.00 N ATOM 895 CZ ARG P 16 -4.277 -6.692 19.464 1.00 0.00 C ATOM 896 NH1 ARG P 16 -5.005 -6.333 18.444 1.00 0.00 N ATOM 897 NH2 ARG P 16 -4.147 -5.872 20.479 1.00 0.00 N ATOM 0 H ARG P 16 -2.657 -9.290 15.580 1.00 0.00 H new ATOM 0 HA ARG P 16 -0.547 -10.794 16.703 1.00 0.00 H new ATOM 0 HB2 ARG P 16 -3.568 -10.941 17.133 1.00 0.00 H new ATOM 0 HB3 ARG P 16 -2.359 -11.608 18.212 1.00 0.00 H new ATOM 0 HG2 ARG P 16 -1.894 -9.560 19.122 1.00 0.00 H new ATOM 0 HG3 ARG P 16 -1.757 -8.805 17.546 1.00 0.00 H new ATOM 0 HD2 ARG P 16 -4.048 -8.253 17.451 1.00 0.00 H new ATOM 0 HD3 ARG P 16 -4.520 -9.565 18.512 1.00 0.00 H new ATOM 0 HE ARG P 16 -3.210 -8.195 20.331 1.00 0.00 H new ATOM 0 HH11 ARG P 16 -5.138 -6.974 17.662 1.00 0.00 H new ATOM 0 HH12 ARG P 16 -5.442 -5.411 18.428 1.00 0.00 H new ATOM 0 HH21 ARG P 16 -3.604 -6.153 21.296 1.00 0.00 H new ATOM 0 HH22 ARG P 16 -4.588 -4.953 20.452 1.00 0.00 H new ATOM 911 N LYS P 17 -2.616 -12.357 14.698 1.00 0.00 N ATOM 912 CA LYS P 17 -2.842 -13.602 13.979 1.00 0.00 C ATOM 913 C LYS P 17 -1.627 -13.972 13.119 1.00 0.00 C ATOM 914 O LYS P 17 -1.281 -15.146 12.994 1.00 0.00 O ATOM 915 CB LYS P 17 -4.072 -13.463 13.080 1.00 0.00 C ATOM 916 CG LYS P 17 -5.217 -14.302 13.650 1.00 0.00 C ATOM 917 CD LYS P 17 -5.811 -15.177 12.545 1.00 0.00 C ATOM 918 CE LYS P 17 -4.866 -16.344 12.255 1.00 0.00 C ATOM 919 NZ LYS P 17 -5.660 -17.588 12.049 1.00 0.00 N ATOM 0 H LYS P 17 -3.209 -11.581 14.404 1.00 0.00 H new ATOM 0 HA LYS P 17 -3.003 -14.392 14.712 1.00 0.00 H new ATOM 0 HB2 LYS P 17 -4.371 -12.417 13.014 1.00 0.00 H new ATOM 0 HB3 LYS P 17 -3.835 -13.791 12.068 1.00 0.00 H new ATOM 0 HG2 LYS P 17 -4.853 -14.926 14.466 1.00 0.00 H new ATOM 0 HG3 LYS P 17 -5.986 -13.651 14.066 1.00 0.00 H new ATOM 0 HD2 LYS P 17 -6.788 -15.553 12.850 1.00 0.00 H new ATOM 0 HD3 LYS P 17 -5.965 -14.586 11.642 1.00 0.00 H new ATOM 0 HE2 LYS P 17 -4.269 -16.130 11.369 1.00 0.00 H new ATOM 0 HE3 LYS P 17 -4.170 -16.477 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 -5.017 -18.381 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 -6.211 -17.794 12.906 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 -6.306 -17.458 11.245 1.00 0.00 H new ATOM 933 N GLY P 18 -0.975 -12.972 12.540 1.00 0.00 N ATOM 934 CA GLY P 18 0.202 -13.224 11.717 1.00 0.00 C ATOM 935 C GLY P 18 1.457 -12.887 12.502 1.00 0.00 C ATOM 936 O GLY P 18 2.563 -12.877 11.968 1.00 0.00 O ATOM 0 H GLY P 18 -1.237 -11.990 12.623 1.00 0.00 H new ATOM 0 HA2 GLY P 18 0.224 -14.269 11.408 1.00 0.00 H new ATOM 0 HA3 GLY P 18 0.158 -12.624 10.808 1.00 0.00 H new ATOM 940 N LYS P 19 1.265 -12.582 13.770 1.00 0.00 N ATOM 941 CA LYS P 19 2.351 -12.215 14.619 1.00 0.00 C ATOM 942 C LYS P 19 3.041 -11.005 14.027 1.00 0.00 C ATOM 943 O LYS P 19 4.084 -11.108 13.406 1.00 0.00 O ATOM 944 CB LYS P 19 3.322 -13.380 14.735 1.00 0.00 C ATOM 945 CG LYS P 19 2.800 -14.350 15.794 1.00 0.00 C ATOM 946 CD LYS P 19 3.451 -15.719 15.606 1.00 0.00 C ATOM 947 CE LYS P 19 4.040 -16.189 16.936 1.00 0.00 C ATOM 948 NZ LYS P 19 5.502 -16.413 16.776 1.00 0.00 N ATOM 0 H LYS P 19 0.353 -12.585 14.227 1.00 0.00 H new ATOM 0 HA LYS P 19 1.986 -11.970 15.616 1.00 0.00 H new ATOM 0 HB2 LYS P 19 3.421 -13.886 13.775 1.00 0.00 H new ATOM 0 HB3 LYS P 19 4.314 -13.020 15.009 1.00 0.00 H new ATOM 0 HG2 LYS P 19 3.018 -13.967 16.791 1.00 0.00 H new ATOM 0 HG3 LYS P 19 1.716 -14.439 15.717 1.00 0.00 H new ATOM 0 HD2 LYS P 19 2.714 -16.438 15.248 1.00 0.00 H new ATOM 0 HD3 LYS P 19 4.234 -15.661 14.850 1.00 0.00 H new ATOM 0 HE2 LYS P 19 3.857 -15.444 17.711 1.00 0.00 H new ATOM 0 HE3 LYS P 19 3.553 -17.110 17.257 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 5.905 -16.733 17.680 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 5.665 -17.138 16.048 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 5.960 -15.525 16.488 1.00 0.00 H new ATOM 962 N ARG P 20 2.453 -9.845 14.185 1.00 0.00 N ATOM 963 CA ARG P 20 3.084 -8.693 13.628 1.00 0.00 C ATOM 964 C ARG P 20 2.880 -7.438 14.468 1.00 0.00 C ATOM 965 O ARG P 20 1.792 -7.155 14.964 1.00 0.00 O ATOM 966 CB ARG P 20 2.598 -8.445 12.202 1.00 0.00 C ATOM 967 CG ARG P 20 3.790 -8.361 11.226 1.00 0.00 C ATOM 968 CD ARG P 20 5.131 -8.418 11.966 1.00 0.00 C ATOM 969 NE ARG P 20 6.147 -7.712 11.208 1.00 0.00 N ATOM 970 CZ ARG P 20 6.147 -6.391 11.126 1.00 0.00 C ATOM 971 NH1 ARG P 20 5.191 -5.699 11.683 1.00 0.00 N ATOM 972 NH2 ARG P 20 7.106 -5.784 10.484 1.00 0.00 N ATOM 0 H ARG P 20 1.574 -9.683 14.676 1.00 0.00 H new ATOM 0 HA ARG P 20 4.153 -8.906 13.619 1.00 0.00 H new ATOM 0 HB2 ARG P 20 1.927 -9.248 11.896 1.00 0.00 H new ATOM 0 HB3 ARG P 20 2.025 -7.519 12.164 1.00 0.00 H new ATOM 0 HG2 ARG P 20 3.734 -9.181 10.511 1.00 0.00 H new ATOM 0 HG3 ARG P 20 3.728 -7.435 10.654 1.00 0.00 H new ATOM 0 HD2 ARG P 20 5.029 -7.973 12.956 1.00 0.00 H new ATOM 0 HD3 ARG P 20 5.431 -9.456 12.113 1.00 0.00 H new ATOM 0 HE ARG P 20 6.874 -8.243 10.730 1.00 0.00 H new ATOM 0 HH11 ARG P 20 4.441 -6.176 12.183 1.00 0.00 H new ATOM 0 HH12 ARG P 20 5.194 -4.681 11.618 1.00 0.00 H new ATOM 0 HH21 ARG P 20 7.851 -6.327 10.048 1.00 0.00 H new ATOM 0 HH22 ARG P 20 7.111 -4.766 10.418 1.00 0.00 H new ATOM 986 N ARG P 21 3.956 -6.686 14.578 1.00 0.00 N ATOM 987 CA ARG P 21 3.973 -5.441 15.298 1.00 0.00 C ATOM 988 C ARG P 21 3.568 -4.348 14.342 1.00 0.00 C ATOM 989 O ARG P 21 3.547 -4.570 13.133 1.00 0.00 O ATOM 990 CB ARG P 21 5.396 -5.161 15.746 1.00 0.00 C ATOM 991 CG ARG P 21 5.428 -3.888 16.577 1.00 0.00 C ATOM 992 CD ARG P 21 6.094 -2.787 15.770 1.00 0.00 C ATOM 993 NE ARG P 21 7.494 -3.102 15.632 1.00 0.00 N ATOM 994 CZ ARG P 21 8.378 -2.150 15.357 1.00 0.00 C ATOM 995 NH1 ARG P 21 7.969 -0.928 15.149 1.00 0.00 N ATOM 996 NH2 ARG P 21 9.649 -2.427 15.291 1.00 0.00 N ATOM 0 H ARG P 21 4.854 -6.931 14.161 1.00 0.00 H new ATOM 0 HA ARG P 21 3.302 -5.486 16.156 1.00 0.00 H new ATOM 0 HB2 ARG P 21 5.775 -5.999 16.331 1.00 0.00 H new ATOM 0 HB3 ARG P 21 6.047 -5.057 14.878 1.00 0.00 H new ATOM 0 HG2 ARG P 21 4.416 -3.593 16.853 1.00 0.00 H new ATOM 0 HG3 ARG P 21 5.974 -4.058 17.505 1.00 0.00 H new ATOM 0 HD2 ARG P 21 5.627 -2.701 14.789 1.00 0.00 H new ATOM 0 HD3 ARG P 21 5.970 -1.825 16.267 1.00 0.00 H new ATOM 0 HE ARG P 21 7.809 -4.065 15.747 1.00 0.00 H new ATOM 0 HH11 ARG P 21 6.974 -0.708 15.198 1.00 0.00 H new ATOM 0 HH12 ARG P 21 8.644 -0.193 14.937 1.00 0.00 H new ATOM 0 HH21 ARG P 21 9.972 -3.381 15.451 1.00 0.00 H new ATOM 0 HH22 ARG P 21 10.321 -1.690 15.079 1.00 0.00 H new ATOM 1010 N CYS P 22 3.267 -3.169 14.835 1.00 0.00 N ATOM 1011 CA CYS P 22 2.904 -2.137 13.880 1.00 0.00 C ATOM 1012 C CYS P 22 2.633 -0.765 14.484 1.00 0.00 C ATOM 1013 O CYS P 22 2.973 -0.471 15.629 1.00 0.00 O ATOM 1014 CB CYS P 22 1.678 -2.597 13.105 1.00 0.00 C ATOM 1015 SG CYS P 22 0.322 -2.965 14.243 1.00 0.00 S ATOM 0 H CYS P 22 3.263 -2.906 15.820 1.00 0.00 H new ATOM 0 HA CYS P 22 3.773 -2.004 13.235 1.00 0.00 H new ATOM 0 HB2 CYS P 22 1.372 -1.823 12.401 1.00 0.00 H new ATOM 0 HB3 CYS P 22 1.921 -3.483 12.518 1.00 0.00 H new ATOM 0 HG CYS P 22 -0.280 -4.053 13.863 1.00 0.00 H new ATOM 1020 N ASP P 23 2.025 0.069 13.652 1.00 0.00 N ATOM 1021 CA ASP P 23 1.692 1.432 14.010 1.00 0.00 C ATOM 1022 C ASP P 23 0.439 1.463 14.869 1.00 0.00 C ATOM 1023 O ASP P 23 0.451 1.956 15.995 1.00 0.00 O ATOM 1024 CB ASP P 23 1.429 2.228 12.730 1.00 0.00 C ATOM 1025 CG ASP P 23 2.253 1.644 11.574 1.00 0.00 C ATOM 1026 OD1 ASP P 23 1.773 0.715 10.932 1.00 0.00 O ATOM 1027 OD2 ASP P 23 3.348 2.132 11.350 1.00 0.00 O ATOM 0 H ASP P 23 1.749 -0.187 12.704 1.00 0.00 H new ATOM 0 HA ASP P 23 2.521 1.865 14.570 1.00 0.00 H new ATOM 0 HB2 ASP P 23 0.368 2.197 12.484 1.00 0.00 H new ATOM 0 HB3 ASP P 23 1.691 3.275 12.882 1.00 0.00 H new ATOM 1032 N ALA P 24 -0.639 0.925 14.325 1.00 0.00 N ATOM 1033 CA ALA P 24 -1.896 0.885 15.046 1.00 0.00 C ATOM 1034 C ALA P 24 -1.616 0.634 16.527 1.00 0.00 C ATOM 1035 O ALA P 24 -1.440 -0.502 16.956 1.00 0.00 O ATOM 1036 CB ALA P 24 -2.768 -0.234 14.478 1.00 0.00 C ATOM 0 H ALA P 24 -0.668 0.513 13.392 1.00 0.00 H new ATOM 0 HA ALA P 24 -2.420 1.834 14.937 1.00 0.00 H new ATOM 0 HB1 ALA P 24 -3.714 -0.267 15.018 1.00 0.00 H new ATOM 0 HB2 ALA P 24 -2.959 -0.046 13.422 1.00 0.00 H new ATOM 0 HB3 ALA P 24 -2.253 -1.188 14.589 1.00 0.00 H new ATOM 1042 N PRO P 25 -1.527 1.711 17.319 1.00 0.00 N ATOM 1043 CA PRO P 25 -1.218 1.646 18.749 1.00 0.00 C ATOM 1044 C PRO P 25 -2.456 1.646 19.640 1.00 0.00 C ATOM 1045 O PRO P 25 -3.570 1.388 19.187 1.00 0.00 O ATOM 1046 CB PRO P 25 -0.421 2.931 18.956 1.00 0.00 C ATOM 1047 CG PRO P 25 -0.983 3.907 17.918 1.00 0.00 C ATOM 1048 CD PRO P 25 -1.728 3.086 16.859 1.00 0.00 C ATOM 0 HA PRO P 25 -0.698 0.726 19.016 1.00 0.00 H new ATOM 0 HB2 PRO P 25 -0.544 3.315 19.969 1.00 0.00 H new ATOM 0 HB3 PRO P 25 0.646 2.764 18.806 1.00 0.00 H new ATOM 0 HG2 PRO P 25 -1.656 4.622 18.391 1.00 0.00 H new ATOM 0 HG3 PRO P 25 -0.179 4.482 17.459 1.00 0.00 H new ATOM 0 HD2 PRO P 25 -2.785 3.347 16.814 1.00 0.00 H new ATOM 0 HD3 PRO P 25 -1.318 3.244 15.862 1.00 0.00 H new ATOM 1056 N GLU P 26 -2.247 1.951 20.913 1.00 0.00 N ATOM 1057 CA GLU P 26 -3.346 2.003 21.856 1.00 0.00 C ATOM 1058 C GLU P 26 -4.198 3.238 21.576 1.00 0.00 C ATOM 1059 O GLU P 26 -5.245 3.441 22.189 1.00 0.00 O ATOM 1060 CB GLU P 26 -2.807 2.071 23.287 1.00 0.00 C ATOM 1061 CG GLU P 26 -3.903 1.643 24.265 1.00 0.00 C ATOM 1062 CD GLU P 26 -3.528 2.089 25.679 1.00 0.00 C ATOM 1063 OE1 GLU P 26 -3.553 3.283 25.929 1.00 0.00 O ATOM 1064 OE2 GLU P 26 -3.222 1.230 26.489 1.00 0.00 O ATOM 0 H GLU P 26 -1.332 2.164 21.311 1.00 0.00 H new ATOM 0 HA GLU P 26 -3.953 1.104 21.745 1.00 0.00 H new ATOM 0 HB2 GLU P 26 -1.938 1.421 23.391 1.00 0.00 H new ATOM 0 HB3 GLU P 26 -2.477 3.084 23.515 1.00 0.00 H new ATOM 0 HG2 GLU P 26 -4.857 2.083 23.974 1.00 0.00 H new ATOM 0 HG3 GLU P 26 -4.029 0.561 24.235 1.00 0.00 H new ATOM 1071 N ASN P 27 -3.749 4.054 20.628 1.00 0.00 N ATOM 1072 CA ASN P 27 -4.484 5.245 20.263 1.00 0.00 C ATOM 1073 C ASN P 27 -5.003 5.105 18.841 1.00 0.00 C ATOM 1074 O ASN P 27 -5.524 6.049 18.251 1.00 0.00 O ATOM 1075 CB ASN P 27 -3.584 6.478 20.370 1.00 0.00 C ATOM 1076 CG ASN P 27 -3.234 6.742 21.838 1.00 0.00 C ATOM 1077 OD1 ASN P 27 -3.797 6.028 22.776 1.00 0.00 O flip ATOM 1078 ND2 ASN P 27 -2.429 7.621 22.138 1.00 0.00 N flip ATOM 0 H ASN P 27 -2.885 3.908 20.106 1.00 0.00 H new ATOM 0 HA ASN P 27 -5.325 5.367 20.946 1.00 0.00 H new ATOM 0 HB2 ASN P 27 -2.673 6.325 19.792 1.00 0.00 H new ATOM 0 HB3 ASN P 27 -4.089 7.346 19.946 1.00 0.00 H new ATOM 0 HD21 ASN P 27 -1.988 8.180 21.407 1.00 0.00 H new ATOM 0 HD22 ASN P 27 -2.202 7.792 23.118 1.00 0.00 H new ATOM 1085 N ARG P 28 -4.878 3.902 18.314 1.00 0.00 N ATOM 1086 CA ARG P 28 -5.360 3.621 16.977 1.00 0.00 C ATOM 1087 C ARG P 28 -6.790 4.109 16.879 1.00 0.00 C ATOM 1088 O ARG P 28 -7.251 4.542 15.827 1.00 0.00 O ATOM 1089 CB ARG P 28 -5.343 2.122 16.722 1.00 0.00 C ATOM 1090 CG ARG P 28 -6.524 1.495 17.457 1.00 0.00 C ATOM 1091 CD ARG P 28 -7.712 1.352 16.505 1.00 0.00 C ATOM 1092 NE ARG P 28 -7.443 0.278 15.561 1.00 0.00 N ATOM 1093 CZ ARG P 28 -7.603 0.452 14.262 1.00 0.00 C ATOM 1094 NH1 ARG P 28 -8.199 1.516 13.799 1.00 0.00 N ATOM 1095 NH2 ARG P 28 -7.227 -0.478 13.443 1.00 0.00 N ATOM 0 H ARG P 28 -4.449 3.108 18.789 1.00 0.00 H new ATOM 0 HA ARG P 28 -4.724 4.119 16.245 1.00 0.00 H new ATOM 0 HB2 ARG P 28 -5.410 1.918 15.653 1.00 0.00 H new ATOM 0 HB3 ARG P 28 -4.406 1.689 17.071 1.00 0.00 H new ATOM 0 HG2 ARG P 28 -6.242 0.518 17.850 1.00 0.00 H new ATOM 0 HG3 ARG P 28 -6.803 2.114 18.310 1.00 0.00 H new ATOM 0 HD2 ARG P 28 -8.621 1.138 17.068 1.00 0.00 H new ATOM 0 HD3 ARG P 28 -7.880 2.287 15.971 1.00 0.00 H new ATOM 0 HE ARG P 28 -7.125 -0.626 15.909 1.00 0.00 H new ATOM 0 HH11 ARG P 28 -8.548 2.226 14.443 1.00 0.00 H new ATOM 0 HH12 ARG P 28 -8.316 1.638 12.793 1.00 0.00 H new ATOM 0 HH21 ARG P 28 -6.811 -1.337 13.803 1.00 0.00 H new ATOM 0 HH22 ARG P 28 -7.347 -0.352 12.438 1.00 0.00 H new ATOM 1109 N ASN P 29 -7.478 4.051 18.005 1.00 0.00 N ATOM 1110 CA ASN P 29 -8.849 4.514 18.057 1.00 0.00 C ATOM 1111 C ASN P 29 -8.844 6.005 17.764 1.00 0.00 C ATOM 1112 O ASN P 29 -9.556 6.499 16.886 1.00 0.00 O ATOM 1113 CB ASN P 29 -9.443 4.261 19.444 1.00 0.00 C ATOM 1114 CG ASN P 29 -9.409 2.762 19.749 1.00 0.00 C ATOM 1115 OD1 ASN P 29 -10.109 1.977 19.112 1.00 0.00 O ATOM 1116 ND2 ASN P 29 -8.628 2.319 20.696 1.00 0.00 N ATOM 0 H ASN P 29 -7.113 3.691 18.887 1.00 0.00 H new ATOM 0 HA ASN P 29 -9.455 3.979 17.326 1.00 0.00 H new ATOM 0 HB2 ASN P 29 -8.879 4.809 20.198 1.00 0.00 H new ATOM 0 HB3 ASN P 29 -10.469 4.628 19.484 1.00 0.00 H new ATOM 0 HD21 ASN P 29 -8.598 1.322 20.908 1.00 0.00 H new ATOM 0 HD22 ASN P 29 -8.047 2.970 21.224 1.00 0.00 H new ATOM 1123 N GLU P 30 -7.986 6.707 18.481 1.00 0.00 N ATOM 1124 CA GLU P 30 -7.833 8.127 18.277 1.00 0.00 C ATOM 1125 C GLU P 30 -7.110 8.356 16.952 1.00 0.00 C ATOM 1126 O GLU P 30 -6.972 9.488 16.492 1.00 0.00 O ATOM 1127 CB GLU P 30 -7.016 8.736 19.418 1.00 0.00 C ATOM 1128 CG GLU P 30 -7.546 8.220 20.757 1.00 0.00 C ATOM 1129 CD GLU P 30 -8.014 9.401 21.610 1.00 0.00 C ATOM 1130 OE1 GLU P 30 -7.277 10.368 21.702 1.00 0.00 O ATOM 1131 OE2 GLU P 30 -9.103 9.317 22.155 1.00 0.00 O ATOM 0 H GLU P 30 -7.388 6.314 19.207 1.00 0.00 H new ATOM 0 HA GLU P 30 -8.814 8.602 18.256 1.00 0.00 H new ATOM 0 HB2 GLU P 30 -5.964 8.474 19.306 1.00 0.00 H new ATOM 0 HB3 GLU P 30 -7.079 9.824 19.385 1.00 0.00 H new ATOM 0 HG2 GLU P 30 -8.372 7.528 20.591 1.00 0.00 H new ATOM 0 HG3 GLU P 30 -6.766 7.666 21.280 1.00 0.00 H new ATOM 1138 N ALA P 31 -6.669 7.263 16.327 1.00 0.00 N ATOM 1139 CA ALA P 31 -5.994 7.368 15.054 1.00 0.00 C ATOM 1140 C ALA P 31 -7.053 7.523 13.976 1.00 0.00 C ATOM 1141 O ALA P 31 -6.995 8.418 13.140 1.00 0.00 O ATOM 1142 CB ALA P 31 -5.169 6.116 14.799 1.00 0.00 C ATOM 0 H ALA P 31 -6.770 6.313 16.683 1.00 0.00 H new ATOM 0 HA ALA P 31 -5.322 8.226 15.050 1.00 0.00 H new ATOM 0 HB1 ALA P 31 -4.663 6.203 13.837 1.00 0.00 H new ATOM 0 HB2 ALA P 31 -4.428 6.001 15.590 1.00 0.00 H new ATOM 0 HB3 ALA P 31 -5.824 5.245 14.787 1.00 0.00 H new ATOM 1148 N ASN P 32 -8.050 6.665 14.042 1.00 0.00 N ATOM 1149 CA ASN P 32 -9.153 6.741 13.116 1.00 0.00 C ATOM 1150 C ASN P 32 -9.915 8.030 13.401 1.00 0.00 C ATOM 1151 O ASN P 32 -10.458 8.665 12.498 1.00 0.00 O ATOM 1152 CB ASN P 32 -10.066 5.532 13.286 1.00 0.00 C ATOM 1153 CG ASN P 32 -10.729 5.564 14.658 1.00 0.00 C ATOM 1154 OD1 ASN P 32 -11.524 6.454 14.956 1.00 0.00 O ATOM 1155 ND2 ASN P 32 -10.439 4.629 15.514 1.00 0.00 N ATOM 0 H ASN P 32 -8.116 5.911 14.726 1.00 0.00 H new ATOM 0 HA ASN P 32 -8.788 6.741 12.089 1.00 0.00 H new ATOM 0 HB2 ASN P 32 -10.827 5.529 12.506 1.00 0.00 H new ATOM 0 HB3 ASN P 32 -9.490 4.613 13.173 1.00 0.00 H new ATOM 0 HD21 ASN P 32 -10.871 4.631 16.438 1.00 0.00 H new ATOM 0 HD22 ASN P 32 -9.779 3.893 15.262 1.00 0.00 H new ATOM 1162 N GLU P 33 -9.906 8.433 14.669 1.00 0.00 N ATOM 1163 CA GLU P 33 -10.552 9.673 15.063 1.00 0.00 C ATOM 1164 C GLU P 33 -9.801 10.835 14.414 1.00 0.00 C ATOM 1165 O GLU P 33 -10.402 11.782 13.908 1.00 0.00 O ATOM 1166 CB GLU P 33 -10.515 9.827 16.584 1.00 0.00 C ATOM 1167 CG GLU P 33 -11.323 11.060 16.992 1.00 0.00 C ATOM 1168 CD GLU P 33 -10.858 11.545 18.366 1.00 0.00 C ATOM 1169 OE1 GLU P 33 -9.667 11.753 18.527 1.00 0.00 O ATOM 1170 OE2 GLU P 33 -11.701 11.699 19.234 1.00 0.00 O ATOM 0 H GLU P 33 -9.462 7.922 15.432 1.00 0.00 H new ATOM 0 HA GLU P 33 -11.593 9.665 14.739 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -10.925 8.936 17.060 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -9.484 9.925 16.925 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -11.196 11.851 16.253 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -12.385 10.818 17.021 1.00 0.00 H new ATOM 1177 N ASN P 34 -8.477 10.721 14.393 1.00 0.00 N ATOM 1178 CA ASN P 34 -7.641 11.719 13.764 1.00 0.00 C ATOM 1179 C ASN P 34 -7.240 11.188 12.387 1.00 0.00 C ATOM 1180 O ASN P 34 -6.305 11.663 11.743 1.00 0.00 O ATOM 1181 CB ASN P 34 -6.411 11.981 14.630 1.00 0.00 C ATOM 1182 CG ASN P 34 -5.159 11.478 13.929 1.00 0.00 C ATOM 1183 OD1 ASN P 34 -5.018 10.206 13.754 1.00 0.00 O flip ATOM 1184 ND2 ASN P 34 -4.294 12.260 13.536 1.00 0.00 N flip ATOM 0 H ASN P 34 -7.965 9.942 14.808 1.00 0.00 H new ATOM 0 HA ASN P 34 -8.175 12.663 13.653 1.00 0.00 H new ATOM 0 HB2 ASN P 34 -6.320 13.048 14.832 1.00 0.00 H new ATOM 0 HB3 ASN P 34 -6.522 11.483 15.593 1.00 0.00 H new ATOM 0 HD21 ASN P 34 -4.411 13.263 13.677 1.00 0.00 H new ATOM 0 HD22 ASN P 34 -3.460 11.905 13.069 1.00 0.00 H new ATOM 1191 N GLY P 35 -7.993 10.185 11.961 1.00 0.00 N ATOM 1192 CA GLY P 35 -7.785 9.533 10.682 1.00 0.00 C ATOM 1193 C GLY P 35 -6.547 8.642 10.660 1.00 0.00 C ATOM 1194 O GLY P 35 -5.415 9.108 10.533 1.00 0.00 O ATOM 0 H GLY P 35 -8.770 9.800 12.498 1.00 0.00 H new ATOM 0 HA2 GLY P 35 -8.662 8.933 10.440 1.00 0.00 H new ATOM 0 HA3 GLY P 35 -7.693 10.292 9.905 1.00 0.00 H new ATOM 1198 N TRP P 36 -6.798 7.341 10.759 1.00 0.00 N ATOM 1199 CA TRP P 36 -5.745 6.345 10.726 1.00 0.00 C ATOM 1200 C TRP P 36 -5.692 5.751 9.309 1.00 0.00 C ATOM 1201 O TRP P 36 -5.420 6.475 8.354 1.00 0.00 O ATOM 1202 CB TRP P 36 -6.046 5.265 11.780 1.00 0.00 C ATOM 1203 CG TRP P 36 -5.074 4.129 11.679 1.00 0.00 C ATOM 1204 CD1 TRP P 36 -5.296 2.879 12.144 1.00 0.00 C ATOM 1205 CD2 TRP P 36 -3.752 4.106 11.075 1.00 0.00 C ATOM 1206 NE1 TRP P 36 -4.193 2.096 11.864 1.00 0.00 N ATOM 1207 CE2 TRP P 36 -3.215 2.806 11.210 1.00 0.00 C ATOM 1208 CE3 TRP P 36 -2.978 5.077 10.435 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 -1.952 2.481 10.724 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 -1.702 4.756 9.940 1.00 0.00 C ATOM 1211 CH2 TRP P 36 -1.191 3.459 10.086 1.00 0.00 C ATOM 0 H TRP P 36 -7.735 6.953 10.864 1.00 0.00 H new ATOM 0 HA TRP P 36 -4.775 6.784 10.960 1.00 0.00 H new ATOM 0 HB2 TRP P 36 -5.998 5.702 12.777 1.00 0.00 H new ATOM 0 HB3 TRP P 36 -7.061 4.892 11.644 1.00 0.00 H new ATOM 0 HD1 TRP P 36 -6.190 2.547 12.651 1.00 0.00 H new ATOM 0 HE1 TRP P 36 -4.114 1.110 12.113 1.00 0.00 H new ATOM 0 HE3 TRP P 36 -3.362 6.080 10.320 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 -1.565 1.479 10.840 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 -1.112 5.513 9.444 1.00 0.00 H new ATOM 0 HH2 TRP P 36 -0.210 3.218 9.705 1.00 0.00 H new ATOM 1222 N VAL P 37 -5.987 4.459 9.164 1.00 0.00 N ATOM 1223 CA VAL P 37 -5.996 3.826 7.846 1.00 0.00 C ATOM 1224 C VAL P 37 -5.708 2.321 7.967 1.00 0.00 C ATOM 1225 O VAL P 37 -6.593 1.541 8.314 1.00 0.00 O ATOM 1226 CB VAL P 37 -4.970 4.496 6.917 1.00 0.00 C ATOM 1227 CG1 VAL P 37 -3.645 4.703 7.657 1.00 0.00 C ATOM 1228 CG2 VAL P 37 -4.743 3.619 5.682 1.00 0.00 C ATOM 0 H VAL P 37 -6.221 3.835 9.936 1.00 0.00 H new ATOM 0 HA VAL P 37 -6.988 3.953 7.413 1.00 0.00 H new ATOM 0 HB VAL P 37 -5.355 5.467 6.605 1.00 0.00 H new ATOM 0 HG11 VAL P 37 -2.926 5.178 6.990 1.00 0.00 H new ATOM 0 HG12 VAL P 37 -3.809 5.340 8.526 1.00 0.00 H new ATOM 0 HG13 VAL P 37 -3.256 3.738 7.983 1.00 0.00 H new ATOM 0 HG21 VAL P 37 -4.016 4.096 5.026 1.00 0.00 H new ATOM 0 HG22 VAL P 37 -4.367 2.644 5.992 1.00 0.00 H new ATOM 0 HG23 VAL P 37 -5.685 3.492 5.148 1.00 0.00 H new ATOM 1238 N SER P 38 -4.477 1.917 7.688 1.00 0.00 N ATOM 1239 CA SER P 38 -4.107 0.517 7.777 1.00 0.00 C ATOM 1240 C SER P 38 -2.611 0.397 8.059 1.00 0.00 C ATOM 1241 O SER P 38 -1.779 0.821 7.259 1.00 0.00 O ATOM 1242 CB SER P 38 -4.436 -0.194 6.465 1.00 0.00 C ATOM 1243 OG SER P 38 -3.971 0.593 5.376 1.00 0.00 O ATOM 0 H SER P 38 -3.722 2.539 7.399 1.00 0.00 H new ATOM 0 HA SER P 38 -4.669 0.053 8.588 1.00 0.00 H new ATOM 0 HB2 SER P 38 -3.968 -1.178 6.444 1.00 0.00 H new ATOM 0 HB3 SER P 38 -5.512 -0.351 6.382 1.00 0.00 H new ATOM 0 HG SER P 38 -4.524 0.418 4.586 1.00 0.00 H new ATOM 1249 N CYS P 39 -2.278 -0.178 9.200 1.00 0.00 N ATOM 1250 CA CYS P 39 -0.893 -0.339 9.572 1.00 0.00 C ATOM 1251 C CYS P 39 -0.158 -1.063 8.457 1.00 0.00 C ATOM 1252 O CYS P 39 -0.721 -1.319 7.402 1.00 0.00 O ATOM 1253 CB CYS P 39 -0.768 -1.120 10.883 1.00 0.00 C ATOM 1254 SG CYS P 39 -1.351 -2.816 10.659 1.00 0.00 S ATOM 0 H CYS P 39 -2.948 -0.538 9.880 1.00 0.00 H new ATOM 0 HA CYS P 39 -0.450 0.645 9.724 1.00 0.00 H new ATOM 0 HB2 CYS P 39 0.271 -1.126 11.213 1.00 0.00 H new ATOM 0 HB3 CYS P 39 -1.348 -0.629 11.664 1.00 0.00 H new ATOM 0 HG CYS P 39 -2.142 -3.136 11.640 1.00 0.00 H new ATOM 1259 N SER P 40 1.093 -1.379 8.684 1.00 0.00 N ATOM 1260 CA SER P 40 1.876 -2.052 7.653 1.00 0.00 C ATOM 1261 C SER P 40 1.334 -3.456 7.360 1.00 0.00 C ATOM 1262 O SER P 40 1.430 -3.957 6.242 1.00 0.00 O ATOM 1263 CB SER P 40 3.332 -2.160 8.103 1.00 0.00 C ATOM 1264 OG SER P 40 4.154 -2.430 6.975 1.00 0.00 O ATOM 0 H SER P 40 1.592 -1.190 9.553 1.00 0.00 H new ATOM 0 HA SER P 40 1.805 -1.460 6.740 1.00 0.00 H new ATOM 0 HB2 SER P 40 3.646 -1.233 8.583 1.00 0.00 H new ATOM 0 HB3 SER P 40 3.438 -2.953 8.843 1.00 0.00 H new ATOM 0 HG SER P 40 5.089 -2.498 7.260 1.00 0.00 H new ATOM 1270 N ASN P 41 0.775 -4.076 8.377 1.00 0.00 N ATOM 1271 CA ASN P 41 0.235 -5.423 8.257 1.00 0.00 C ATOM 1272 C ASN P 41 -1.051 -5.442 7.446 1.00 0.00 C ATOM 1273 O ASN P 41 -1.069 -5.859 6.277 1.00 0.00 O ATOM 1274 CB ASN P 41 -0.069 -5.937 9.647 1.00 0.00 C ATOM 1275 CG ASN P 41 1.234 -6.294 10.349 1.00 0.00 C ATOM 1276 OD1 ASN P 41 1.865 -7.293 10.019 1.00 0.00 O ATOM 1277 ND2 ASN P 41 1.665 -5.522 11.309 1.00 0.00 N ATOM 0 H ASN P 41 0.680 -3.668 9.307 1.00 0.00 H new ATOM 0 HA ASN P 41 0.970 -6.046 7.748 1.00 0.00 H new ATOM 0 HB2 ASN P 41 -0.607 -5.180 10.217 1.00 0.00 H new ATOM 0 HB3 ASN P 41 -0.716 -6.812 9.590 1.00 0.00 H new ATOM 0 HD21 ASN P 41 2.534 -5.747 11.793 1.00 0.00 H new ATOM 0 HD22 ASN P 41 1.133 -4.694 11.575 1.00 0.00 H new ATOM 1284 N CYS P 42 -2.131 -4.982 8.069 1.00 0.00 N ATOM 1285 CA CYS P 42 -3.397 -4.943 7.379 1.00 0.00 C ATOM 1286 C CYS P 42 -3.142 -4.383 5.992 1.00 0.00 C ATOM 1287 O CYS P 42 -3.875 -4.656 5.055 1.00 0.00 O ATOM 1288 CB CYS P 42 -4.399 -4.043 8.118 1.00 0.00 C ATOM 1289 SG CYS P 42 -4.600 -4.595 9.834 1.00 0.00 S ATOM 0 H CYS P 42 -2.148 -4.640 9.030 1.00 0.00 H new ATOM 0 HA CYS P 42 -3.822 -5.945 7.330 1.00 0.00 H new ATOM 0 HB2 CYS P 42 -4.051 -3.010 8.100 1.00 0.00 H new ATOM 0 HB3 CYS P 42 -5.362 -4.064 7.607 1.00 0.00 H new ATOM 0 HG CYS P 42 -3.591 -4.184 10.543 1.00 0.00 H new ATOM 1294 N LYS P 43 -2.078 -3.596 5.879 1.00 0.00 N ATOM 1295 CA LYS P 43 -1.718 -3.000 4.610 1.00 0.00 C ATOM 1296 C LYS P 43 -1.312 -4.058 3.594 1.00 0.00 C ATOM 1297 O LYS P 43 -1.908 -4.138 2.528 1.00 0.00 O ATOM 1298 CB LYS P 43 -0.559 -2.021 4.794 1.00 0.00 C ATOM 1299 CG LYS P 43 -1.107 -0.633 5.114 1.00 0.00 C ATOM 1300 CD LYS P 43 -1.589 0.041 3.828 1.00 0.00 C ATOM 1301 CE LYS P 43 -1.107 1.493 3.801 1.00 0.00 C ATOM 1302 NZ LYS P 43 0.205 1.569 3.097 1.00 0.00 N ATOM 0 H LYS P 43 -1.455 -3.360 6.651 1.00 0.00 H new ATOM 0 HA LYS P 43 -2.596 -2.473 4.237 1.00 0.00 H new ATOM 0 HB2 LYS P 43 0.093 -2.360 5.599 1.00 0.00 H new ATOM 0 HB3 LYS P 43 0.046 -1.984 3.888 1.00 0.00 H new ATOM 0 HG2 LYS P 43 -1.929 -0.711 5.825 1.00 0.00 H new ATOM 0 HG3 LYS P 43 -0.334 -0.026 5.586 1.00 0.00 H new ATOM 0 HD2 LYS P 43 -1.209 -0.496 2.959 1.00 0.00 H new ATOM 0 HD3 LYS P 43 -2.677 0.007 3.773 1.00 0.00 H new ATOM 0 HE2 LYS P 43 -1.840 2.121 3.295 1.00 0.00 H new ATOM 0 HE3 LYS P 43 -1.009 1.874 4.818 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 0.533 2.556 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 0.902 0.982 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 0.097 1.222 2.123 1.00 0.00 H new ATOM 1316 N ARG P 44 -0.306 -4.865 3.924 1.00 0.00 N ATOM 1317 CA ARG P 44 0.144 -5.898 3.008 1.00 0.00 C ATOM 1318 C ARG P 44 -0.986 -6.882 2.758 1.00 0.00 C ATOM 1319 O ARG P 44 -1.436 -7.076 1.648 1.00 0.00 O ATOM 1320 CB ARG P 44 1.353 -6.665 3.595 1.00 0.00 C ATOM 1321 CG ARG P 44 1.895 -5.935 4.827 1.00 0.00 C ATOM 1322 CD ARG P 44 3.174 -6.606 5.351 1.00 0.00 C ATOM 1323 NE ARG P 44 4.277 -6.395 4.427 1.00 0.00 N ATOM 1324 CZ ARG P 44 4.637 -5.173 4.042 1.00 0.00 C ATOM 1325 NH1 ARG P 44 4.114 -4.120 4.610 1.00 0.00 N ATOM 1326 NH2 ARG P 44 5.570 -5.024 3.140 1.00 0.00 N ATOM 0 H ARG P 44 0.204 -4.822 4.807 1.00 0.00 H new ATOM 0 HA ARG P 44 0.445 -5.421 2.075 1.00 0.00 H new ATOM 0 HB2 ARG P 44 1.054 -7.678 3.866 1.00 0.00 H new ATOM 0 HB3 ARG P 44 2.136 -6.754 2.842 1.00 0.00 H new ATOM 0 HG2 ARG P 44 2.104 -4.895 4.575 1.00 0.00 H new ATOM 0 HG3 ARG P 44 1.138 -5.927 5.611 1.00 0.00 H new ATOM 0 HD2 ARG P 44 3.429 -6.200 6.330 1.00 0.00 H new ATOM 0 HD3 ARG P 44 3.003 -7.674 5.484 1.00 0.00 H new ATOM 0 HE ARG P 44 4.786 -7.202 4.066 1.00 0.00 H new ATOM 0 HH11 ARG P 44 3.425 -4.231 5.354 1.00 0.00 H new ATOM 0 HH12 ARG P 44 4.395 -3.186 4.310 1.00 0.00 H new ATOM 0 HH21 ARG P 44 6.021 -5.843 2.732 1.00 0.00 H new ATOM 0 HH22 ARG P 44 5.848 -4.088 2.843 1.00 0.00 H new ATOM 1340 N TRP P 45 -1.430 -7.500 3.804 1.00 0.00 N ATOM 1341 CA TRP P 45 -2.487 -8.502 3.687 1.00 0.00 C ATOM 1342 C TRP P 45 -3.874 -7.906 3.734 1.00 0.00 C ATOM 1343 O TRP P 45 -4.846 -8.589 4.051 1.00 0.00 O ATOM 1344 CB TRP P 45 -2.279 -9.519 4.787 1.00 0.00 C ATOM 1345 CG TRP P 45 -0.883 -9.940 4.599 1.00 0.00 C ATOM 1346 CD1 TRP P 45 -0.414 -10.401 3.433 1.00 0.00 C ATOM 1347 CD2 TRP P 45 0.241 -9.881 5.516 1.00 0.00 C ATOM 1348 NE1 TRP P 45 0.925 -10.630 3.552 1.00 0.00 N ATOM 1349 CE2 TRP P 45 1.392 -10.345 4.832 1.00 0.00 C ATOM 1350 CE3 TRP P 45 0.376 -9.485 6.858 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 2.631 -10.406 5.477 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 1.626 -9.545 7.492 1.00 0.00 C ATOM 1353 CH2 TRP P 45 2.746 -10.009 6.796 1.00 0.00 C ATOM 0 H TRP P 45 -1.091 -7.343 4.753 1.00 0.00 H new ATOM 0 HA TRP P 45 -2.420 -8.978 2.709 1.00 0.00 H new ATOM 0 HB2 TRP P 45 -2.438 -9.083 5.773 1.00 0.00 H new ATOM 0 HB3 TRP P 45 -2.968 -10.358 4.694 1.00 0.00 H new ATOM 0 HD1 TRP P 45 -1.001 -10.565 2.542 1.00 0.00 H new ATOM 0 HE1 TRP P 45 1.515 -10.970 2.793 1.00 0.00 H new ATOM 0 HE3 TRP P 45 -0.487 -9.133 7.404 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 3.499 -10.764 4.944 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 1.723 -9.232 8.521 1.00 0.00 H new ATOM 0 HH2 TRP P 45 3.705 -10.057 7.291 1.00 0.00 H new ATOM 1364 N ASN P 46 -3.948 -6.639 3.380 1.00 0.00 N ATOM 1365 CA ASN P 46 -5.217 -5.941 3.345 1.00 0.00 C ATOM 1366 C ASN P 46 -6.148 -6.578 4.357 1.00 0.00 C ATOM 1367 O ASN P 46 -7.257 -7.004 4.037 1.00 0.00 O ATOM 1368 CB ASN P 46 -5.834 -6.036 1.949 1.00 0.00 C ATOM 1369 CG ASN P 46 -4.728 -6.247 0.913 1.00 0.00 C ATOM 1370 OD1 ASN P 46 -4.076 -7.290 0.895 1.00 0.00 O ATOM 1371 ND2 ASN P 46 -4.480 -5.307 0.043 1.00 0.00 N ATOM 0 H ASN P 46 -3.144 -6.071 3.112 1.00 0.00 H new ATOM 0 HA ASN P 46 -5.062 -4.889 3.586 1.00 0.00 H new ATOM 0 HB2 ASN P 46 -6.545 -6.861 1.910 1.00 0.00 H new ATOM 0 HB3 ASN P 46 -6.389 -5.126 1.723 1.00 0.00 H new ATOM 0 HD21 ASN P 46 -3.745 -5.437 -0.652 1.00 0.00 H new ATOM 0 HD22 ASN P 46 -5.021 -4.442 0.058 1.00 0.00 H new ATOM 1378 N LYS P 47 -5.652 -6.691 5.569 1.00 0.00 N ATOM 1379 CA LYS P 47 -6.400 -7.339 6.626 1.00 0.00 C ATOM 1380 C LYS P 47 -7.567 -6.478 7.116 1.00 0.00 C ATOM 1381 O LYS P 47 -8.412 -6.058 6.328 1.00 0.00 O ATOM 1382 CB LYS P 47 -5.453 -7.648 7.780 1.00 0.00 C ATOM 1383 CG LYS P 47 -4.357 -8.602 7.300 1.00 0.00 C ATOM 1384 CD LYS P 47 -4.937 -10.011 7.152 1.00 0.00 C ATOM 1385 CE LYS P 47 -4.943 -10.707 8.514 1.00 0.00 C ATOM 1386 NZ LYS P 47 -4.988 -12.184 8.318 1.00 0.00 N ATOM 0 H LYS P 47 -4.735 -6.343 5.848 1.00 0.00 H new ATOM 0 HA LYS P 47 -6.828 -8.260 6.230 1.00 0.00 H new ATOM 0 HB2 LYS P 47 -5.009 -6.727 8.156 1.00 0.00 H new ATOM 0 HB3 LYS P 47 -6.004 -8.097 8.606 1.00 0.00 H new ATOM 0 HG2 LYS P 47 -3.955 -8.261 6.346 1.00 0.00 H new ATOM 0 HG3 LYS P 47 -3.530 -8.610 8.010 1.00 0.00 H new ATOM 0 HD2 LYS P 47 -5.951 -9.958 6.754 1.00 0.00 H new ATOM 0 HD3 LYS P 47 -4.345 -10.586 6.440 1.00 0.00 H new ATOM 0 HE2 LYS P 47 -4.052 -10.432 9.079 1.00 0.00 H new ATOM 0 HE3 LYS P 47 -5.804 -10.381 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 -4.992 -12.657 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 -5.850 -12.439 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 -4.153 -12.488 7.778 1.00 0.00 H new ATOM 1400 N ASP P 48 -7.627 -6.238 8.418 1.00 0.00 N ATOM 1401 CA ASP P 48 -8.718 -5.453 8.975 1.00 0.00 C ATOM 1402 C ASP P 48 -8.237 -4.593 10.141 1.00 0.00 C ATOM 1403 O ASP P 48 -8.636 -4.793 11.287 1.00 0.00 O ATOM 1404 CB ASP P 48 -9.824 -6.388 9.466 1.00 0.00 C ATOM 1405 CG ASP P 48 -11.157 -5.637 9.481 1.00 0.00 C ATOM 1406 OD1 ASP P 48 -11.338 -4.811 10.361 1.00 0.00 O ATOM 1407 OD2 ASP P 48 -11.973 -5.900 8.614 1.00 0.00 O ATOM 0 H ASP P 48 -6.944 -6.570 9.099 1.00 0.00 H new ATOM 0 HA ASP P 48 -9.099 -4.798 8.192 1.00 0.00 H new ATOM 0 HB2 ASP P 48 -9.893 -7.260 8.816 1.00 0.00 H new ATOM 0 HB3 ASP P 48 -9.589 -6.753 10.466 1.00 0.00 H new ATOM 1412 N CYS P 49 -7.388 -3.631 9.835 1.00 0.00 N ATOM 1413 CA CYS P 49 -6.863 -2.740 10.842 1.00 0.00 C ATOM 1414 C CYS P 49 -7.929 -2.378 11.868 1.00 0.00 C ATOM 1415 O CYS P 49 -8.758 -1.504 11.619 1.00 0.00 O ATOM 1416 CB CYS P 49 -6.409 -1.448 10.165 1.00 0.00 C ATOM 1417 SG CYS P 49 -4.897 -0.878 10.952 1.00 0.00 S ATOM 0 H CYS P 49 -7.048 -3.449 8.891 1.00 0.00 H new ATOM 0 HA CYS P 49 -6.037 -3.242 11.346 1.00 0.00 H new ATOM 0 HB2 CYS P 49 -6.239 -1.619 9.102 1.00 0.00 H new ATOM 0 HB3 CYS P 49 -7.186 -0.687 10.245 1.00 0.00 H new ATOM 0 HG CYS P 49 -5.031 -0.939 12.244 1.00 0.00 H new ATOM 1422 N THR P 50 -7.905 -3.014 13.033 1.00 0.00 N ATOM 1423 CA THR P 50 -8.886 -2.660 14.045 1.00 0.00 C ATOM 1424 C THR P 50 -8.473 -3.061 15.472 1.00 0.00 C ATOM 1425 O THR P 50 -7.839 -4.102 15.705 1.00 0.00 O ATOM 1426 CB THR P 50 -10.236 -3.267 13.685 1.00 0.00 C ATOM 1427 OG1 THR P 50 -10.050 -4.566 13.149 1.00 0.00 O ATOM 1428 CG2 THR P 50 -10.904 -2.384 12.646 1.00 0.00 C ATOM 0 H THR P 50 -7.245 -3.748 13.292 1.00 0.00 H new ATOM 0 HA THR P 50 -8.955 -1.572 14.051 1.00 0.00 H new ATOM 0 HB THR P 50 -10.859 -3.336 14.577 1.00 0.00 H new ATOM 0 HG1 THR P 50 -9.879 -4.501 12.186 1.00 0.00 H new ATOM 0 HG21 THR P 50 -11.873 -2.806 12.378 1.00 0.00 H new ATOM 0 HG22 THR P 50 -11.045 -1.384 13.055 1.00 0.00 H new ATOM 0 HG23 THR P 50 -10.275 -2.327 11.758 1.00 0.00 H new ATOM 1436 N PHE P 51 -8.866 -2.192 16.410 1.00 0.00 N ATOM 1437 CA PHE P 51 -8.615 -2.354 17.848 1.00 0.00 C ATOM 1438 C PHE P 51 -9.920 -2.043 18.588 1.00 0.00 C ATOM 1439 O PHE P 51 -9.917 -1.699 19.769 1.00 0.00 O ATOM 1440 CB PHE P 51 -7.634 -1.297 18.357 1.00 0.00 C ATOM 1441 CG PHE P 51 -6.187 -1.607 18.070 1.00 0.00 C ATOM 1442 CD1 PHE P 51 -5.782 -2.231 16.886 1.00 0.00 C ATOM 1443 CD2 PHE P 51 -5.234 -1.199 19.006 1.00 0.00 C ATOM 1444 CE1 PHE P 51 -4.418 -2.449 16.650 1.00 0.00 C ATOM 1445 CE2 PHE P 51 -3.881 -1.417 18.774 1.00 0.00 C ATOM 1446 CZ PHE P 51 -3.468 -2.042 17.594 1.00 0.00 C ATOM 0 H PHE P 51 -9.378 -1.339 16.187 1.00 0.00 H new ATOM 0 HA PHE P 51 -8.233 -3.362 18.012 1.00 0.00 H new ATOM 0 HB2 PHE P 51 -7.885 -0.337 17.905 1.00 0.00 H new ATOM 0 HB3 PHE P 51 -7.763 -1.186 19.434 1.00 0.00 H new ATOM 0 HD1 PHE P 51 -6.516 -2.543 16.158 1.00 0.00 H new ATOM 0 HD2 PHE P 51 -5.550 -0.711 19.916 1.00 0.00 H new ATOM 0 HE1 PHE P 51 -4.099 -2.932 15.738 1.00 0.00 H new ATOM 0 HE2 PHE P 51 -3.150 -1.104 19.505 1.00 0.00 H new ATOM 0 HZ PHE P 51 -2.417 -2.211 17.411 1.00 0.00 H new ATOM 1456 N ASN P 52 -11.016 -2.096 17.859 1.00 0.00 N ATOM 1457 CA ASN P 52 -12.323 -1.746 18.409 1.00 0.00 C ATOM 1458 C ASN P 52 -13.065 -2.979 18.872 1.00 0.00 C ATOM 1459 O ASN P 52 -13.036 -3.344 20.054 1.00 0.00 O ATOM 1460 CB ASN P 52 -13.127 -1.041 17.325 1.00 0.00 C ATOM 1461 CG ASN P 52 -12.224 -0.020 16.664 1.00 0.00 C ATOM 1462 OD1 ASN P 52 -11.306 -0.448 15.859 1.00 0.00 O flip ATOM 1463 ND2 ASN P 52 -12.353 1.184 16.884 1.00 0.00 N flip ATOM 0 H ASN P 52 -11.034 -2.379 16.879 1.00 0.00 H new ATOM 0 HA ASN P 52 -12.186 -1.093 19.271 1.00 0.00 H new ATOM 0 HB2 ASN P 52 -13.491 -1.760 16.591 1.00 0.00 H new ATOM 0 HB3 ASN P 52 -14.002 -0.554 17.755 1.00 0.00 H new ATOM 0 HD21 ASN P 52 -13.080 1.511 17.520 1.00 0.00 H new ATOM 0 HD22 ASN P 52 -11.733 1.855 16.430 1.00 0.00 H new ATOM 1470 N TRP P 53 -13.671 -3.663 17.921 1.00 0.00 N ATOM 1471 CA TRP P 53 -14.339 -4.890 18.225 1.00 0.00 C ATOM 1472 C TRP P 53 -13.410 -5.662 19.143 1.00 0.00 C ATOM 1473 O TRP P 53 -13.834 -6.487 19.947 1.00 0.00 O ATOM 1474 CB TRP P 53 -14.537 -5.661 16.934 1.00 0.00 C ATOM 1475 CG TRP P 53 -13.198 -5.857 16.308 1.00 0.00 C ATOM 1476 CD1 TRP P 53 -12.348 -4.869 15.929 1.00 0.00 C ATOM 1477 CD2 TRP P 53 -12.535 -7.101 15.990 1.00 0.00 C ATOM 1478 NE1 TRP P 53 -11.208 -5.431 15.421 1.00 0.00 N ATOM 1479 CE2 TRP P 53 -11.280 -6.810 15.415 1.00 0.00 C ATOM 1480 CE3 TRP P 53 -12.908 -8.442 16.147 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 -10.428 -7.821 15.002 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 -12.050 -9.467 15.732 1.00 0.00 C ATOM 1483 CH2 TRP P 53 -10.814 -9.158 15.155 1.00 0.00 C ATOM 0 H TRP P 53 -13.709 -3.383 16.941 1.00 0.00 H new ATOM 0 HA TRP P 53 -15.309 -4.727 18.694 1.00 0.00 H new ATOM 0 HB2 TRP P 53 -15.010 -6.623 17.133 1.00 0.00 H new ATOM 0 HB3 TRP P 53 -15.197 -5.114 16.260 1.00 0.00 H new ATOM 0 HD1 TRP P 53 -12.540 -3.810 16.015 1.00 0.00 H new ATOM 0 HE1 TRP P 53 -10.405 -4.897 15.088 1.00 0.00 H new ATOM 0 HE3 TRP P 53 -13.862 -8.686 16.590 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 -9.471 -7.579 14.564 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 -12.343 -10.499 15.858 1.00 0.00 H new ATOM 0 HH2 TRP P 53 -10.158 -9.951 14.828 1.00 0.00 H new ATOM 1494 N LEU P 54 -12.123 -5.340 19.008 1.00 0.00 N ATOM 1495 CA LEU P 54 -11.088 -5.942 19.816 1.00 0.00 C ATOM 1496 C LEU P 54 -11.136 -5.370 21.217 1.00 0.00 C ATOM 1497 O LEU P 54 -11.237 -6.087 22.207 1.00 0.00 O ATOM 1498 CB LEU P 54 -9.751 -5.594 19.199 1.00 0.00 C ATOM 1499 CG LEU P 54 -9.744 -6.178 17.818 1.00 0.00 C ATOM 1500 CD1 LEU P 54 -8.348 -6.058 17.214 1.00 0.00 C ATOM 1501 CD2 LEU P 54 -10.173 -7.639 17.909 1.00 0.00 C ATOM 0 H LEU P 54 -11.780 -4.655 18.334 1.00 0.00 H new ATOM 0 HA LEU P 54 -11.231 -7.022 19.860 1.00 0.00 H new ATOM 0 HB2 LEU P 54 -9.612 -4.514 19.162 1.00 0.00 H new ATOM 0 HB3 LEU P 54 -8.933 -6.000 19.794 1.00 0.00 H new ATOM 0 HG LEU P 54 -10.438 -5.638 17.173 1.00 0.00 H new ATOM 0 HD11 LEU P 54 -8.348 -6.484 16.211 1.00 0.00 H new ATOM 0 HD12 LEU P 54 -8.063 -5.007 17.162 1.00 0.00 H new ATOM 0 HD13 LEU P 54 -7.634 -6.597 17.837 1.00 0.00 H new ATOM 0 HD21 LEU P 54 -10.174 -8.081 16.913 1.00 0.00 H new ATOM 0 HD22 LEU P 54 -9.477 -8.184 18.547 1.00 0.00 H new ATOM 0 HD23 LEU P 54 -11.175 -7.698 18.333 1.00 0.00 H new ATOM 1513 N SER P 55 -11.080 -4.058 21.284 1.00 0.00 N ATOM 1514 CA SER P 55 -11.145 -3.388 22.564 1.00 0.00 C ATOM 1515 C SER P 55 -12.198 -4.090 23.415 1.00 0.00 C ATOM 1516 O SER P 55 -12.128 -4.099 24.643 1.00 0.00 O ATOM 1517 CB SER P 55 -11.534 -1.922 22.371 1.00 0.00 C ATOM 1518 OG SER P 55 -10.524 -1.091 22.927 1.00 0.00 O ATOM 0 H SER P 55 -10.991 -3.440 20.478 1.00 0.00 H new ATOM 0 HA SER P 55 -10.172 -3.426 23.054 1.00 0.00 H new ATOM 0 HB2 SER P 55 -11.658 -1.703 21.310 1.00 0.00 H new ATOM 0 HB3 SER P 55 -12.491 -1.722 22.852 1.00 0.00 H new ATOM 0 HG SER P 55 -10.770 -0.150 22.803 1.00 0.00 H new ATOM 1524 N SER P 56 -13.172 -4.686 22.736 1.00 0.00 N ATOM 1525 CA SER P 56 -14.235 -5.400 23.420 1.00 0.00 C ATOM 1526 C SER P 56 -14.021 -6.922 23.352 1.00 0.00 C ATOM 1527 O SER P 56 -14.504 -7.660 24.209 1.00 0.00 O ATOM 1528 CB SER P 56 -15.580 -5.054 22.782 1.00 0.00 C ATOM 1529 OG SER P 56 -15.738 -5.804 21.585 1.00 0.00 O ATOM 0 H SER P 56 -13.244 -4.687 21.719 1.00 0.00 H new ATOM 0 HA SER P 56 -14.225 -5.096 24.467 1.00 0.00 H new ATOM 0 HB2 SER P 56 -16.392 -5.277 23.474 1.00 0.00 H new ATOM 0 HB3 SER P 56 -15.629 -3.987 22.565 1.00 0.00 H new ATOM 0 HG SER P 56 -14.884 -5.840 21.106 1.00 0.00 H new ATOM 1535 N GLN P 57 -13.308 -7.392 22.329 1.00 0.00 N ATOM 1536 CA GLN P 57 -13.068 -8.826 22.182 1.00 0.00 C ATOM 1537 C GLN P 57 -12.204 -9.372 23.319 1.00 0.00 C ATOM 1538 O GLN P 57 -12.494 -10.423 23.888 1.00 0.00 O ATOM 1539 CB GLN P 57 -12.347 -9.101 20.861 1.00 0.00 C ATOM 1540 CG GLN P 57 -11.887 -10.561 20.823 1.00 0.00 C ATOM 1541 CD GLN P 57 -10.465 -10.672 21.387 1.00 0.00 C ATOM 1542 OE1 GLN P 57 -10.234 -11.377 22.368 1.00 0.00 O ATOM 1543 NE2 GLN P 57 -9.492 -10.009 20.818 1.00 0.00 N ATOM 0 H GLN P 57 -12.893 -6.811 21.601 1.00 0.00 H new ATOM 0 HA GLN P 57 -14.039 -9.321 22.203 1.00 0.00 H new ATOM 0 HB2 GLN P 57 -13.012 -8.897 20.022 1.00 0.00 H new ATOM 0 HB3 GLN P 57 -11.490 -8.436 20.757 1.00 0.00 H new ATOM 0 HG2 GLN P 57 -12.568 -11.182 21.405 1.00 0.00 H new ATOM 0 HG3 GLN P 57 -11.912 -10.933 19.799 1.00 0.00 H new ATOM 0 HE21 GLN P 57 -9.681 -9.424 20.004 1.00 0.00 H new ATOM 0 HE22 GLN P 57 -8.544 -10.077 21.188 1.00 0.00 H new