USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 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 128:sc= 0.576 USER MOD Set 1.2: P 15 CYS SG : rot 127:sc= -8.01! USER MOD Set 1.3: P 22 CYS SG : rot 160:sc= -0.999 USER MOD Set 1.4: P 39 CYS SG : rot 151:sc= -0.915! USER MOD Set 1.5: P 41 ASN : amide:sc= -11! C(o=-30!,f=-38!) USER MOD Set 1.6: P 42 CYS SG : rot 83:sc= -7.22! USER MOD Set 1.7: P 49 CYS SG : rot 7:sc= -2.12! USER MOD Single : P 8 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.29) USER MOD Single : P 9 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : P 10 HIS : no HE2:sc= -5.31! C(o=-5.3!,f=-5.2!) 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 : amide:sc= -2.49! K(o=-2.5!,f=-0.086) USER MOD Single : P 29 ASN : amide:sc= -0.0312 K(o=-0.031,f=1.1) USER MOD Single : P 32 ASN : amide:sc= -7.84! C(o=-7.8!,f=-9.6!) USER MOD Single : P 34 ASN : amide:sc= -4.33! C(o=-4.3!,f=-2!) USER MOD Single : P 38 SER OG : rot -170:sc= -5.66! USER MOD Single : P 40 SER OG : rot 180:sc= 0.0815 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= -0.0766 K(o=-0.077,f=-0.68) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -74:sc= -3.97! USER MOD Single : P 52 ASN : amide:sc= -5.44! K(o=-5.4!,f=-1.1) USER MOD Single : P 55 SER OG : rot -40:sc= 0.0706 USER MOD Single : P 56 SER OG : rot 180:sc= 0 USER MOD Single : P 57 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 8.784 -19.015 -2.177 1.00 0.00 N ATOM 734 CA ARG P 6 7.918 -19.975 -1.510 1.00 0.00 C ATOM 735 C ARG P 6 7.747 -19.730 0.000 1.00 0.00 C ATOM 736 O ARG P 6 8.602 -19.161 0.677 1.00 0.00 O ATOM 737 CB ARG P 6 8.485 -21.382 -1.713 1.00 0.00 C ATOM 738 CG ARG P 6 7.499 -22.223 -2.517 1.00 0.00 C ATOM 739 CD ARG P 6 6.130 -22.186 -1.844 1.00 0.00 C ATOM 740 NE ARG P 6 5.231 -23.086 -2.536 1.00 0.00 N ATOM 741 CZ ARG P 6 4.977 -24.309 -2.074 1.00 0.00 C ATOM 742 NH1 ARG P 6 5.553 -24.740 -0.981 1.00 0.00 N ATOM 743 NH2 ARG P 6 4.155 -25.089 -2.721 1.00 0.00 N ATOM 0 HA ARG P 6 6.932 -19.859 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG P 6 9.441 -21.328 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG P 6 8.675 -21.851 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG P 6 7.426 -21.842 -3.535 1.00 0.00 H new ATOM 0 HG3 ARG P 6 7.854 -23.251 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG P 6 6.219 -22.476 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG P 6 5.731 -21.172 -1.861 1.00 0.00 H new ATOM 0 HE ARG P 6 4.782 -22.776 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG P 6 6.203 -24.138 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG P 6 5.352 -25.678 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG P 6 3.709 -24.761 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG P 6 3.958 -26.026 -2.370 1.00 0.00 H new ATOM 757 N ARG P 7 6.617 -20.227 0.490 1.00 0.00 N ATOM 758 CA ARG P 7 6.224 -20.172 1.898 1.00 0.00 C ATOM 759 C ARG P 7 6.910 -19.083 2.735 1.00 0.00 C ATOM 760 O ARG P 7 8.074 -19.203 3.113 1.00 0.00 O ATOM 761 CB ARG P 7 6.521 -21.526 2.543 1.00 0.00 C ATOM 762 CG ARG P 7 5.716 -21.666 3.836 1.00 0.00 C ATOM 763 CD ARG P 7 4.829 -22.909 3.752 1.00 0.00 C ATOM 764 NE ARG P 7 5.656 -24.107 3.766 1.00 0.00 N ATOM 765 CZ ARG P 7 5.167 -25.278 3.386 1.00 0.00 C ATOM 766 NH1 ARG P 7 3.927 -25.370 2.990 1.00 0.00 N ATOM 767 NH2 ARG P 7 5.926 -26.340 3.408 1.00 0.00 N ATOM 0 H ARG P 7 5.926 -20.694 -0.097 1.00 0.00 H new ATOM 0 HA ARG P 7 5.163 -19.923 1.893 1.00 0.00 H new ATOM 0 HB2 ARG P 7 6.266 -22.332 1.855 1.00 0.00 H new ATOM 0 HB3 ARG P 7 7.587 -21.613 2.755 1.00 0.00 H new ATOM 0 HG2 ARG P 7 6.389 -21.744 4.690 1.00 0.00 H new ATOM 0 HG3 ARG P 7 5.103 -20.779 3.993 1.00 0.00 H new ATOM 0 HD2 ARG P 7 4.132 -22.927 4.590 1.00 0.00 H new ATOM 0 HD3 ARG P 7 4.231 -22.879 2.841 1.00 0.00 H new ATOM 0 HE ARG P 7 6.627 -24.044 4.073 1.00 0.00 H new ATOM 0 HH11 ARG P 7 3.334 -24.540 2.973 1.00 0.00 H new ATOM 0 HH12 ARG P 7 3.551 -26.272 2.697 1.00 0.00 H new ATOM 0 HH21 ARG P 7 6.895 -26.268 3.718 1.00 0.00 H new ATOM 0 HH22 ARG P 7 5.550 -27.242 3.115 1.00 0.00 H new ATOM 781 N GLN P 8 6.139 -18.055 3.075 1.00 0.00 N ATOM 782 CA GLN P 8 6.616 -16.982 3.929 1.00 0.00 C ATOM 783 C GLN P 8 5.441 -16.329 4.663 1.00 0.00 C ATOM 784 O GLN P 8 5.552 -15.965 5.833 1.00 0.00 O ATOM 785 CB GLN P 8 7.341 -15.930 3.116 1.00 0.00 C ATOM 786 CG GLN P 8 8.801 -15.888 3.553 1.00 0.00 C ATOM 787 CD GLN P 8 9.681 -15.960 2.315 1.00 0.00 C ATOM 788 OE1 GLN P 8 10.806 -16.455 2.364 1.00 0.00 O ATOM 789 NE2 GLN P 8 9.219 -15.485 1.199 1.00 0.00 N ATOM 0 H GLN P 8 5.173 -17.946 2.767 1.00 0.00 H new ATOM 0 HA GLN P 8 7.308 -17.411 4.654 1.00 0.00 H new ATOM 0 HB2 GLN P 8 7.272 -16.161 2.053 1.00 0.00 H new ATOM 0 HB3 GLN P 8 6.876 -14.955 3.261 1.00 0.00 H new ATOM 0 HG2 GLN P 8 9.003 -14.972 4.108 1.00 0.00 H new ATOM 0 HG3 GLN P 8 9.020 -16.721 4.221 1.00 0.00 H new ATOM 0 HE21 GLN P 8 8.285 -15.076 1.167 1.00 0.00 H new ATOM 0 HE22 GLN P 8 9.790 -15.521 0.354 1.00 0.00 H new ATOM 798 N ASN P 9 4.315 -16.184 3.973 1.00 0.00 N ATOM 799 CA ASN P 9 3.142 -15.575 4.588 1.00 0.00 C ATOM 800 C ASN P 9 1.879 -15.730 3.724 1.00 0.00 C ATOM 801 O ASN P 9 0.882 -15.053 3.958 1.00 0.00 O ATOM 802 CB ASN P 9 3.401 -14.086 4.826 1.00 0.00 C ATOM 803 CG ASN P 9 4.343 -13.545 3.749 1.00 0.00 C ATOM 804 OD1 ASN P 9 5.474 -13.162 4.043 1.00 0.00 O ATOM 805 ND2 ASN P 9 3.939 -13.492 2.509 1.00 0.00 N ATOM 0 H ASN P 9 4.190 -16.475 3.003 1.00 0.00 H new ATOM 0 HA ASN P 9 2.968 -16.093 5.531 1.00 0.00 H new ATOM 0 HB2 ASN P 9 2.460 -13.536 4.808 1.00 0.00 H new ATOM 0 HB3 ASN P 9 3.839 -13.937 5.813 1.00 0.00 H new ATOM 0 HD21 ASN P 9 4.561 -13.133 1.785 1.00 0.00 H new ATOM 0 HD22 ASN P 9 3.001 -13.809 2.264 1.00 0.00 H new ATOM 812 N HIS P 10 1.904 -16.612 2.734 1.00 0.00 N ATOM 813 CA HIS P 10 0.736 -16.799 1.896 1.00 0.00 C ATOM 814 C HIS P 10 0.350 -15.487 1.217 1.00 0.00 C ATOM 815 O HIS P 10 0.466 -14.411 1.796 1.00 0.00 O ATOM 816 CB HIS P 10 -0.436 -17.279 2.751 1.00 0.00 C ATOM 817 CG HIS P 10 0.075 -18.163 3.855 1.00 0.00 C ATOM 818 ND1 HIS P 10 0.015 -19.549 3.780 1.00 0.00 N ATOM 819 CD2 HIS P 10 0.656 -17.876 5.066 1.00 0.00 C ATOM 820 CE1 HIS P 10 0.546 -20.041 4.916 1.00 0.00 C ATOM 821 NE2 HIS P 10 0.953 -19.058 5.733 1.00 0.00 N ATOM 0 H HIS P 10 2.705 -17.197 2.497 1.00 0.00 H new ATOM 0 HA HIS P 10 0.972 -17.541 1.133 1.00 0.00 H new ATOM 0 HB2 HIS P 10 -0.967 -16.425 3.171 1.00 0.00 H new ATOM 0 HB3 HIS P 10 -1.150 -17.826 2.134 1.00 0.00 H new ATOM 0 HD1 HIS P 10 -0.363 -20.095 3.005 1.00 0.00 H new ATOM 0 HD2 HIS P 10 0.852 -16.883 5.442 1.00 0.00 H new ATOM 0 HE1 HIS P 10 0.633 -21.094 5.141 1.00 0.00 H new ATOM 830 N SER P 11 -0.114 -15.590 -0.010 1.00 0.00 N ATOM 831 CA SER P 11 -0.530 -14.411 -0.760 1.00 0.00 C ATOM 832 C SER P 11 -2.057 -14.381 -0.866 1.00 0.00 C ATOM 833 O SER P 11 -2.692 -15.427 -0.952 1.00 0.00 O ATOM 834 CB SER P 11 0.075 -14.452 -2.163 1.00 0.00 C ATOM 835 OG SER P 11 1.469 -14.710 -2.066 1.00 0.00 O ATOM 0 H SER P 11 -0.215 -16.472 -0.513 1.00 0.00 H new ATOM 0 HA SER P 11 -0.183 -13.517 -0.242 1.00 0.00 H new ATOM 0 HB2 SER P 11 -0.409 -15.226 -2.758 1.00 0.00 H new ATOM 0 HB3 SER P 11 -0.096 -13.504 -2.673 1.00 0.00 H new ATOM 0 HG SER P 11 1.860 -14.738 -2.964 1.00 0.00 H new ATOM 841 N CYS P 12 -2.649 -13.192 -0.839 1.00 0.00 N ATOM 842 CA CYS P 12 -4.121 -13.108 -0.915 1.00 0.00 C ATOM 843 C CYS P 12 -4.663 -13.667 -2.224 1.00 0.00 C ATOM 844 O CYS P 12 -3.935 -13.844 -3.197 1.00 0.00 O ATOM 845 CB CYS P 12 -4.606 -11.664 -0.848 1.00 0.00 C ATOM 846 SG CYS P 12 -3.670 -10.771 0.383 1.00 0.00 S ATOM 0 H CYS P 12 -2.163 -12.298 -0.768 1.00 0.00 H new ATOM 0 HA CYS P 12 -4.480 -13.689 -0.066 1.00 0.00 H new ATOM 0 HB2 CYS P 12 -4.493 -11.187 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS P 12 -5.667 -11.638 -0.601 1.00 0.00 H new ATOM 0 HG CYS P 12 -3.189 -9.683 -0.142 1.00 0.00 H new ATOM 851 N ASP P 13 -5.967 -13.919 -2.236 1.00 0.00 N ATOM 852 CA ASP P 13 -6.620 -14.431 -3.450 1.00 0.00 C ATOM 853 C ASP P 13 -6.077 -13.725 -4.705 1.00 0.00 C ATOM 854 O ASP P 13 -5.630 -14.360 -5.671 1.00 0.00 O ATOM 855 CB ASP P 13 -8.148 -14.201 -3.427 1.00 0.00 C ATOM 856 CG ASP P 13 -8.612 -13.496 -2.141 1.00 0.00 C ATOM 857 OD1 ASP P 13 -7.949 -12.573 -1.705 1.00 0.00 O ATOM 858 OD2 ASP P 13 -9.646 -13.882 -1.626 1.00 0.00 O ATOM 0 H ASP P 13 -6.589 -13.783 -1.439 1.00 0.00 H new ATOM 0 HA ASP P 13 -6.406 -15.499 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP P 13 -8.436 -13.603 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP P 13 -8.659 -15.159 -3.518 1.00 0.00 H new ATOM 863 N PRO P 14 -6.134 -12.387 -4.702 1.00 0.00 N ATOM 864 CA PRO P 14 -5.690 -11.548 -5.832 1.00 0.00 C ATOM 865 C PRO P 14 -4.183 -11.619 -6.060 1.00 0.00 C ATOM 866 O PRO P 14 -3.693 -11.436 -7.177 1.00 0.00 O ATOM 867 CB PRO P 14 -6.146 -10.142 -5.414 1.00 0.00 C ATOM 868 CG PRO P 14 -6.154 -10.201 -3.894 1.00 0.00 C ATOM 869 CD PRO P 14 -6.612 -11.604 -3.553 1.00 0.00 C ATOM 0 HA PRO P 14 -6.109 -11.870 -6.785 1.00 0.00 H new ATOM 0 HB2 PRO P 14 -5.464 -9.375 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO P 14 -7.134 -9.907 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO P 14 -5.163 -10.001 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO P 14 -6.828 -9.454 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO P 14 -6.180 -11.955 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO P 14 -7.695 -11.662 -3.446 1.00 0.00 H new ATOM 877 N CYS P 15 -3.456 -11.897 -5.000 1.00 0.00 N ATOM 878 CA CYS P 15 -2.019 -11.995 -5.095 1.00 0.00 C ATOM 879 C CYS P 15 -1.604 -13.268 -5.835 1.00 0.00 C ATOM 880 O CYS P 15 -0.748 -13.229 -6.712 1.00 0.00 O ATOM 881 CB CYS P 15 -1.440 -11.932 -3.686 1.00 0.00 C ATOM 882 SG CYS P 15 -1.852 -10.293 -3.051 1.00 0.00 S ATOM 0 H CYS P 15 -3.836 -12.058 -4.067 1.00 0.00 H new ATOM 0 HA CYS P 15 -1.623 -11.163 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS P 15 -1.864 -12.713 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS P 15 -0.361 -12.085 -3.700 1.00 0.00 H new ATOM 0 HG CYS P 15 -2.461 -10.411 -1.908 1.00 0.00 H new ATOM 887 N ARG P 16 -2.232 -14.385 -5.521 1.00 0.00 N ATOM 888 CA ARG P 16 -1.905 -15.620 -6.219 1.00 0.00 C ATOM 889 C ARG P 16 -2.210 -15.467 -7.705 1.00 0.00 C ATOM 890 O ARG P 16 -1.510 -16.009 -8.559 1.00 0.00 O ATOM 891 CB ARG P 16 -2.753 -16.785 -5.706 1.00 0.00 C ATOM 892 CG ARG P 16 -2.743 -16.841 -4.185 1.00 0.00 C ATOM 893 CD ARG P 16 -3.794 -17.856 -3.737 1.00 0.00 C ATOM 894 NE ARG P 16 -3.391 -18.462 -2.483 1.00 0.00 N ATOM 895 CZ ARG P 16 -3.763 -17.943 -1.317 1.00 0.00 C ATOM 896 NH1 ARG P 16 -4.510 -16.871 -1.293 1.00 0.00 N ATOM 897 NH2 ARG P 16 -3.381 -18.498 -0.193 1.00 0.00 N ATOM 0 H ARG P 16 -2.955 -14.467 -4.806 1.00 0.00 H new ATOM 0 HA ARG P 16 -0.848 -15.822 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG P 16 -3.777 -16.678 -6.062 1.00 0.00 H new ATOM 0 HB3 ARG P 16 -2.371 -17.723 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG P 16 -1.757 -17.130 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG P 16 -2.961 -15.858 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG P 16 -4.760 -17.365 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG P 16 -3.918 -18.625 -4.499 1.00 0.00 H new ATOM 0 HE ARG P 16 -2.812 -19.301 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG P 16 -4.805 -16.436 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG P 16 -4.798 -16.470 -0.400 1.00 0.00 H new ATOM 0 HH21 ARG P 16 -2.795 -19.333 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG P 16 -3.670 -18.095 0.699 1.00 0.00 H new ATOM 911 N LYS P 17 -3.286 -14.747 -7.993 1.00 0.00 N ATOM 912 CA LYS P 17 -3.720 -14.551 -9.374 1.00 0.00 C ATOM 913 C LYS P 17 -2.894 -13.486 -10.103 1.00 0.00 C ATOM 914 O LYS P 17 -2.818 -13.486 -11.331 1.00 0.00 O ATOM 915 CB LYS P 17 -5.191 -14.134 -9.390 1.00 0.00 C ATOM 916 CG LYS P 17 -6.075 -15.381 -9.460 1.00 0.00 C ATOM 917 CD LYS P 17 -7.547 -14.963 -9.481 1.00 0.00 C ATOM 918 CE LYS P 17 -7.851 -14.104 -8.253 1.00 0.00 C ATOM 919 NZ LYS P 17 -9.043 -14.652 -7.546 1.00 0.00 N ATOM 0 H LYS P 17 -3.873 -14.290 -7.295 1.00 0.00 H new ATOM 0 HA LYS P 17 -3.577 -15.497 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS P 17 -5.426 -13.558 -8.495 1.00 0.00 H new ATOM 0 HB3 LYS P 17 -5.387 -13.488 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS P 17 -5.837 -15.959 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS P 17 -5.881 -16.026 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS P 17 -7.764 -14.405 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS P 17 -8.187 -15.846 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS P 17 -6.991 -14.091 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS P 17 -8.036 -13.073 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 -9.250 -14.068 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 -9.862 -14.642 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 -8.850 -15.629 -7.246 1.00 0.00 H new ATOM 933 N GLY P 18 -2.280 -12.582 -9.359 1.00 0.00 N ATOM 934 CA GLY P 18 -1.478 -11.538 -9.975 1.00 0.00 C ATOM 935 C GLY P 18 -0.001 -11.874 -9.876 1.00 0.00 C ATOM 936 O GLY P 18 0.842 -11.162 -10.402 1.00 0.00 O ATOM 0 H GLY P 18 -2.320 -12.549 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY P 18 -1.761 -11.423 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY P 18 -1.674 -10.584 -9.485 1.00 0.00 H new ATOM 940 N LYS P 19 0.293 -12.962 -9.195 1.00 0.00 N ATOM 941 CA LYS P 19 1.646 -13.399 -9.012 1.00 0.00 C ATOM 942 C LYS P 19 2.397 -12.432 -8.125 1.00 0.00 C ATOM 943 O LYS P 19 3.362 -11.811 -8.550 1.00 0.00 O ATOM 944 CB LYS P 19 2.336 -13.510 -10.357 1.00 0.00 C ATOM 945 CG LYS P 19 2.415 -14.984 -10.705 1.00 0.00 C ATOM 946 CD LYS P 19 3.180 -15.172 -12.017 1.00 0.00 C ATOM 947 CE LYS P 19 3.538 -16.648 -12.193 1.00 0.00 C ATOM 948 NZ LYS P 19 4.935 -16.763 -12.697 1.00 0.00 N ATOM 0 H LYS P 19 -0.405 -13.563 -8.756 1.00 0.00 H new ATOM 0 HA LYS P 19 1.637 -14.377 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS P 19 1.780 -12.965 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS P 19 3.333 -13.072 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS P 19 2.913 -15.529 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS P 19 1.411 -15.399 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS P 19 2.573 -14.832 -12.856 1.00 0.00 H new ATOM 0 HD3 LYS P 19 4.086 -14.565 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS P 19 3.438 -17.173 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS P 19 2.848 -17.120 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 5.179 -17.767 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 5.015 -16.275 -13.612 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 5.587 -16.327 -12.014 1.00 0.00 H new ATOM 962 N ARG P 20 1.954 -12.288 -6.891 1.00 0.00 N ATOM 963 CA ARG P 20 2.632 -11.380 -6.014 1.00 0.00 C ATOM 964 C ARG P 20 2.627 -11.833 -4.558 1.00 0.00 C ATOM 965 O ARG P 20 1.647 -12.364 -4.041 1.00 0.00 O ATOM 966 CB ARG P 20 1.997 -9.996 -6.111 1.00 0.00 C ATOM 967 CG ARG P 20 2.847 -9.098 -7.008 1.00 0.00 C ATOM 968 CD ARG P 20 4.324 -9.381 -6.752 1.00 0.00 C ATOM 969 NE ARG P 20 5.045 -8.139 -6.596 1.00 0.00 N ATOM 970 CZ ARG P 20 5.164 -7.551 -5.414 1.00 0.00 C ATOM 971 NH1 ARG P 20 4.568 -8.051 -4.366 1.00 0.00 N ATOM 972 NH2 ARG P 20 5.875 -6.464 -5.305 1.00 0.00 N ATOM 0 H ARG P 20 1.152 -12.775 -6.491 1.00 0.00 H new ATOM 0 HA ARG P 20 3.672 -11.352 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG P 20 0.987 -10.077 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG P 20 1.910 -9.555 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG P 20 2.607 -9.279 -8.056 1.00 0.00 H new ATOM 0 HG3 ARG P 20 2.626 -8.050 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG P 20 4.436 -9.991 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG P 20 4.742 -9.952 -7.581 1.00 0.00 H new ATOM 0 HE ARG P 20 5.472 -7.705 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG P 20 4.007 -8.898 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG P 20 4.663 -7.594 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG P 20 6.335 -6.071 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG P 20 5.971 -6.006 -4.399 1.00 0.00 H new ATOM 986 N ARG P 21 3.745 -11.564 -3.912 1.00 0.00 N ATOM 987 CA ARG P 21 3.937 -11.870 -2.511 1.00 0.00 C ATOM 988 C ARG P 21 3.353 -10.738 -1.686 1.00 0.00 C ATOM 989 O ARG P 21 3.058 -9.676 -2.226 1.00 0.00 O ATOM 990 CB ARG P 21 5.425 -11.885 -2.236 1.00 0.00 C ATOM 991 CG ARG P 21 5.915 -10.435 -2.309 1.00 0.00 C ATOM 992 CD ARG P 21 7.427 -10.407 -2.197 1.00 0.00 C ATOM 993 NE ARG P 21 7.821 -11.195 -1.051 1.00 0.00 N ATOM 994 CZ ARG P 21 7.961 -10.650 0.154 1.00 0.00 C ATOM 995 NH1 ARG P 21 7.777 -9.368 0.326 1.00 0.00 N ATOM 996 NH2 ARG P 21 8.273 -11.400 1.175 1.00 0.00 N ATOM 0 H ARG P 21 4.553 -11.122 -4.351 1.00 0.00 H new ATOM 0 HA ARG P 21 3.468 -12.823 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG P 21 5.630 -12.311 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG P 21 5.945 -12.504 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG P 21 5.601 -9.980 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG P 21 5.469 -9.848 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG P 21 7.881 -10.806 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG P 21 7.779 -9.381 -2.089 1.00 0.00 H new ATOM 0 HE ARG P 21 7.996 -12.193 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG P 21 7.524 -8.778 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG P 21 7.886 -8.957 1.253 1.00 0.00 H new ATOM 0 HH21 ARG P 21 8.409 -12.403 1.048 1.00 0.00 H new ATOM 0 HH22 ARG P 21 8.381 -10.983 2.100 1.00 0.00 H new ATOM 1010 N CYS P 22 3.214 -10.913 -0.385 1.00 0.00 N ATOM 1011 CA CYS P 22 2.694 -9.800 0.385 1.00 0.00 C ATOM 1012 C CYS P 22 2.733 -9.999 1.898 1.00 0.00 C ATOM 1013 O CYS P 22 3.356 -10.922 2.420 1.00 0.00 O ATOM 1014 CB CYS P 22 1.276 -9.504 -0.058 1.00 0.00 C ATOM 1015 SG CYS P 22 0.219 -10.944 0.187 1.00 0.00 S ATOM 0 H CYS P 22 3.438 -11.761 0.136 1.00 0.00 H new ATOM 0 HA CYS P 22 3.356 -8.958 0.184 1.00 0.00 H new ATOM 0 HB2 CYS P 22 0.883 -8.658 0.505 1.00 0.00 H new ATOM 0 HB3 CYS P 22 1.270 -9.217 -1.110 1.00 0.00 H new ATOM 0 HG CYS P 22 -1.026 -10.570 0.205 1.00 0.00 H new ATOM 1020 N ASP P 23 2.076 -9.069 2.583 1.00 0.00 N ATOM 1021 CA ASP P 23 2.028 -9.054 4.034 1.00 0.00 C ATOM 1022 C ASP P 23 0.984 -10.018 4.577 1.00 0.00 C ATOM 1023 O ASP P 23 1.294 -10.888 5.385 1.00 0.00 O ATOM 1024 CB ASP P 23 1.658 -7.645 4.497 1.00 0.00 C ATOM 1025 CG ASP P 23 2.295 -6.616 3.561 1.00 0.00 C ATOM 1026 OD1 ASP P 23 1.683 -6.301 2.553 1.00 0.00 O ATOM 1027 OD2 ASP P 23 3.384 -6.159 3.868 1.00 0.00 O ATOM 0 H ASP P 23 1.562 -8.305 2.144 1.00 0.00 H new ATOM 0 HA ASP P 23 3.007 -9.358 4.405 1.00 0.00 H new ATOM 0 HB2 ASP P 23 0.575 -7.525 4.503 1.00 0.00 H new ATOM 0 HB3 ASP P 23 2.002 -7.485 5.519 1.00 0.00 H new ATOM 1032 N ALA P 24 -0.252 -9.836 4.138 1.00 0.00 N ATOM 1033 CA ALA P 24 -1.345 -10.672 4.596 1.00 0.00 C ATOM 1034 C ALA P 24 -0.845 -12.091 4.858 1.00 0.00 C ATOM 1035 O ALA P 24 -0.827 -12.935 3.969 1.00 0.00 O ATOM 1036 CB ALA P 24 -2.442 -10.686 3.533 1.00 0.00 C ATOM 0 H ALA P 24 -0.521 -9.117 3.466 1.00 0.00 H new ATOM 0 HA ALA P 24 -1.747 -10.271 5.526 1.00 0.00 H new ATOM 0 HB1 ALA P 24 -3.268 -11.313 3.870 1.00 0.00 H new ATOM 0 HB2 ALA P 24 -2.802 -9.670 3.368 1.00 0.00 H new ATOM 0 HB3 ALA P 24 -2.041 -11.085 2.601 1.00 0.00 H new ATOM 1042 N PRO P 25 -0.398 -12.349 6.097 1.00 0.00 N ATOM 1043 CA PRO P 25 0.154 -13.641 6.511 1.00 0.00 C ATOM 1044 C PRO P 25 -0.892 -14.580 7.107 1.00 0.00 C ATOM 1045 O PRO P 25 -2.095 -14.379 6.948 1.00 0.00 O ATOM 1046 CB PRO P 25 1.168 -13.232 7.575 1.00 0.00 C ATOM 1047 CG PRO P 25 0.594 -11.954 8.186 1.00 0.00 C ATOM 1048 CD PRO P 25 -0.411 -11.370 7.189 1.00 0.00 C ATOM 0 HA PRO P 25 0.568 -14.199 5.671 1.00 0.00 H new ATOM 0 HB2 PRO P 25 1.289 -14.011 8.327 1.00 0.00 H new ATOM 0 HB3 PRO P 25 2.151 -13.056 7.138 1.00 0.00 H new ATOM 0 HG2 PRO P 25 0.107 -12.170 9.137 1.00 0.00 H new ATOM 0 HG3 PRO P 25 1.390 -11.238 8.391 1.00 0.00 H new ATOM 0 HD2 PRO P 25 -1.403 -11.269 7.629 1.00 0.00 H new ATOM 0 HD3 PRO P 25 -0.111 -10.379 6.847 1.00 0.00 H new ATOM 1056 N GLU P 26 -0.419 -15.601 7.806 1.00 0.00 N ATOM 1057 CA GLU P 26 -1.316 -16.553 8.435 1.00 0.00 C ATOM 1058 C GLU P 26 -1.998 -15.899 9.636 1.00 0.00 C ATOM 1059 O GLU P 26 -2.870 -16.490 10.271 1.00 0.00 O ATOM 1060 CB GLU P 26 -0.533 -17.781 8.900 1.00 0.00 C ATOM 1061 CG GLU P 26 -0.948 -18.995 8.066 1.00 0.00 C ATOM 1062 CD GLU P 26 -1.985 -19.815 8.835 1.00 0.00 C ATOM 1063 OE1 GLU P 26 -1.786 -20.023 10.021 1.00 0.00 O ATOM 1064 OE2 GLU P 26 -2.961 -20.220 8.226 1.00 0.00 O ATOM 0 H GLU P 26 0.573 -15.789 7.950 1.00 0.00 H new ATOM 0 HA GLU P 26 -2.070 -16.862 7.711 1.00 0.00 H new ATOM 0 HB2 GLU P 26 0.538 -17.604 8.797 1.00 0.00 H new ATOM 0 HB3 GLU P 26 -0.724 -17.969 9.956 1.00 0.00 H new ATOM 0 HG2 GLU P 26 -1.362 -18.669 7.112 1.00 0.00 H new ATOM 0 HG3 GLU P 26 -0.077 -19.610 7.842 1.00 0.00 H new ATOM 1071 N ASN P 27 -1.605 -14.664 9.930 1.00 0.00 N ATOM 1072 CA ASN P 27 -2.194 -13.937 11.035 1.00 0.00 C ATOM 1073 C ASN P 27 -2.956 -12.733 10.502 1.00 0.00 C ATOM 1074 O ASN P 27 -3.445 -11.892 11.255 1.00 0.00 O ATOM 1075 CB ASN P 27 -1.107 -13.475 12.008 1.00 0.00 C ATOM 1076 CG ASN P 27 -0.414 -14.693 12.623 1.00 0.00 C ATOM 1077 OD1 ASN P 27 0.627 -14.562 13.266 1.00 0.00 O ATOM 1078 ND2 ASN P 27 -0.933 -15.880 12.463 1.00 0.00 N ATOM 0 H ASN P 27 -0.885 -14.153 9.419 1.00 0.00 H new ATOM 0 HA ASN P 27 -2.880 -14.596 11.567 1.00 0.00 H new ATOM 0 HB2 ASN P 27 -0.378 -12.855 11.486 1.00 0.00 H new ATOM 0 HB3 ASN P 27 -1.546 -12.859 12.793 1.00 0.00 H new ATOM 0 HD21 ASN P 27 -0.476 -16.696 12.870 1.00 0.00 H new ATOM 0 HD22 ASN P 27 -1.796 -15.992 11.931 1.00 0.00 H new ATOM 1085 N ARG P 28 -3.075 -12.682 9.192 1.00 0.00 N ATOM 1086 CA ARG P 28 -3.799 -11.614 8.552 1.00 0.00 C ATOM 1087 C ARG P 28 -5.245 -11.684 9.007 1.00 0.00 C ATOM 1088 O ARG P 28 -5.926 -10.673 9.117 1.00 0.00 O ATOM 1089 CB ARG P 28 -3.741 -11.789 7.046 1.00 0.00 C ATOM 1090 CG ARG P 28 -4.800 -12.803 6.644 1.00 0.00 C ATOM 1091 CD ARG P 28 -6.119 -12.081 6.407 1.00 0.00 C ATOM 1092 NE ARG P 28 -6.189 -11.693 5.017 1.00 0.00 N ATOM 1093 CZ ARG P 28 -6.790 -10.582 4.663 1.00 0.00 C ATOM 1094 NH1 ARG P 28 -7.476 -9.905 5.537 1.00 0.00 N ATOM 1095 NH2 ARG P 28 -6.742 -10.191 3.430 1.00 0.00 N ATOM 0 H ARG P 28 -2.678 -13.370 8.552 1.00 0.00 H new ATOM 0 HA ARG P 28 -3.360 -10.652 8.817 1.00 0.00 H new ATOM 0 HB2 ARG P 28 -3.917 -10.837 6.546 1.00 0.00 H new ATOM 0 HB3 ARG P 28 -2.752 -12.131 6.741 1.00 0.00 H new ATOM 0 HG2 ARG P 28 -4.492 -13.329 5.741 1.00 0.00 H new ATOM 0 HG3 ARG P 28 -4.918 -13.553 7.426 1.00 0.00 H new ATOM 0 HD2 ARG P 28 -6.957 -12.730 6.661 1.00 0.00 H new ATOM 0 HD3 ARG P 28 -6.190 -11.203 7.049 1.00 0.00 H new ATOM 0 HE ARG P 28 -5.767 -12.288 4.304 1.00 0.00 H new ATOM 0 HH11 ARG P 28 -7.547 -10.238 6.499 1.00 0.00 H new ATOM 0 HH12 ARG P 28 -7.943 -9.041 5.261 1.00 0.00 H new ATOM 0 HH21 ARG P 28 -6.238 -10.746 2.738 1.00 0.00 H new ATOM 0 HH22 ARG P 28 -7.208 -9.328 3.150 1.00 0.00 H new ATOM 1109 N ASN P 29 -5.699 -12.895 9.294 1.00 0.00 N ATOM 1110 CA ASN P 29 -7.052 -13.079 9.774 1.00 0.00 C ATOM 1111 C ASN P 29 -7.156 -12.365 11.112 1.00 0.00 C ATOM 1112 O ASN P 29 -8.011 -11.502 11.327 1.00 0.00 O ATOM 1113 CB ASN P 29 -7.350 -14.569 9.957 1.00 0.00 C ATOM 1114 CG ASN P 29 -7.350 -15.262 8.593 1.00 0.00 C ATOM 1115 OD1 ASN P 29 -8.329 -15.187 7.851 1.00 0.00 O ATOM 1116 ND2 ASN P 29 -6.299 -15.939 8.218 1.00 0.00 N ATOM 0 H ASN P 29 -5.155 -13.753 9.203 1.00 0.00 H new ATOM 0 HA ASN P 29 -7.770 -12.676 9.060 1.00 0.00 H new ATOM 0 HB2 ASN P 29 -6.602 -15.023 10.607 1.00 0.00 H new ATOM 0 HB3 ASN P 29 -8.317 -14.700 10.443 1.00 0.00 H new ATOM 0 HD21 ASN P 29 -6.290 -16.405 7.311 1.00 0.00 H new ATOM 0 HD22 ASN P 29 -5.487 -16.002 8.832 1.00 0.00 H new ATOM 1123 N GLU P 30 -6.227 -12.702 11.990 1.00 0.00 N ATOM 1124 CA GLU P 30 -6.163 -12.067 13.284 1.00 0.00 C ATOM 1125 C GLU P 30 -5.721 -10.619 13.091 1.00 0.00 C ATOM 1126 O GLU P 30 -5.774 -9.811 14.017 1.00 0.00 O ATOM 1127 CB GLU P 30 -5.156 -12.795 14.176 1.00 0.00 C ATOM 1128 CG GLU P 30 -5.439 -14.298 14.145 1.00 0.00 C ATOM 1129 CD GLU P 30 -5.551 -14.825 15.577 1.00 0.00 C ATOM 1130 OE1 GLU P 30 -6.413 -14.348 16.297 1.00 0.00 O ATOM 1131 OE2 GLU P 30 -4.774 -15.697 15.929 1.00 0.00 O ATOM 0 H GLU P 30 -5.511 -13.410 11.826 1.00 0.00 H new ATOM 0 HA GLU P 30 -7.142 -12.102 13.761 1.00 0.00 H new ATOM 0 HB2 GLU P 30 -4.141 -12.598 13.832 1.00 0.00 H new ATOM 0 HB3 GLU P 30 -5.224 -12.423 15.198 1.00 0.00 H new ATOM 0 HG2 GLU P 30 -6.363 -14.494 13.601 1.00 0.00 H new ATOM 0 HG3 GLU P 30 -4.641 -14.818 13.616 1.00 0.00 H new ATOM 1138 N ALA P 31 -5.302 -10.292 11.867 1.00 0.00 N ATOM 1139 CA ALA P 31 -4.883 -8.938 11.572 1.00 0.00 C ATOM 1140 C ALA P 31 -6.128 -8.089 11.381 1.00 0.00 C ATOM 1141 O ALA P 31 -6.242 -6.989 11.904 1.00 0.00 O ATOM 1142 CB ALA P 31 -4.041 -8.912 10.303 1.00 0.00 C ATOM 0 H ALA P 31 -5.247 -10.941 11.082 1.00 0.00 H new ATOM 0 HA ALA P 31 -4.279 -8.548 12.392 1.00 0.00 H new ATOM 0 HB1 ALA P 31 -3.732 -7.888 10.092 1.00 0.00 H new ATOM 0 HB2 ALA P 31 -3.158 -9.536 10.439 1.00 0.00 H new ATOM 0 HB3 ALA P 31 -4.629 -9.293 9.468 1.00 0.00 H new ATOM 1148 N ASN P 32 -7.083 -8.641 10.661 1.00 0.00 N ATOM 1149 CA ASN P 32 -8.334 -7.960 10.456 1.00 0.00 C ATOM 1150 C ASN P 32 -9.089 -7.977 11.777 1.00 0.00 C ATOM 1151 O ASN P 32 -9.876 -7.081 12.079 1.00 0.00 O ATOM 1152 CB ASN P 32 -9.134 -8.645 9.352 1.00 0.00 C ATOM 1153 CG ASN P 32 -9.548 -10.050 9.775 1.00 0.00 C ATOM 1154 OD1 ASN P 32 -10.240 -10.233 10.775 1.00 0.00 O ATOM 1155 ND2 ASN P 32 -9.150 -11.058 9.055 1.00 0.00 N ATOM 0 H ASN P 32 -7.013 -9.554 10.212 1.00 0.00 H new ATOM 0 HA ASN P 32 -8.167 -6.930 10.139 1.00 0.00 H new ATOM 0 HB2 ASN P 32 -10.020 -8.055 9.119 1.00 0.00 H new ATOM 0 HB3 ASN P 32 -8.537 -8.696 8.442 1.00 0.00 H new ATOM 0 HD21 ASN P 32 -9.412 -12.008 9.319 1.00 0.00 H new ATOM 0 HD22 ASN P 32 -8.576 -10.898 8.227 1.00 0.00 H new ATOM 1162 N GLU P 33 -8.786 -8.984 12.590 1.00 0.00 N ATOM 1163 CA GLU P 33 -9.384 -9.082 13.908 1.00 0.00 C ATOM 1164 C GLU P 33 -8.772 -7.989 14.785 1.00 0.00 C ATOM 1165 O GLU P 33 -9.438 -7.400 15.635 1.00 0.00 O ATOM 1166 CB GLU P 33 -9.092 -10.455 14.519 1.00 0.00 C ATOM 1167 CG GLU P 33 -9.568 -10.478 15.972 1.00 0.00 C ATOM 1168 CD GLU P 33 -8.370 -10.292 16.905 1.00 0.00 C ATOM 1169 OE1 GLU P 33 -7.380 -10.977 16.709 1.00 0.00 O ATOM 1170 OE2 GLU P 33 -8.463 -9.469 17.800 1.00 0.00 O ATOM 0 H GLU P 33 -8.136 -9.735 12.359 1.00 0.00 H new ATOM 0 HA GLU P 33 -10.465 -8.959 13.839 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -9.597 -11.234 13.947 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -8.024 -10.666 14.472 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -10.299 -9.687 16.139 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -10.067 -11.423 16.187 1.00 0.00 H new ATOM 1177 N ASN P 34 -7.498 -7.700 14.529 1.00 0.00 N ATOM 1178 CA ASN P 34 -6.792 -6.659 15.241 1.00 0.00 C ATOM 1179 C ASN P 34 -6.605 -5.476 14.285 1.00 0.00 C ATOM 1180 O ASN P 34 -5.765 -4.597 14.475 1.00 0.00 O ATOM 1181 CB ASN P 34 -5.447 -7.201 15.723 1.00 0.00 C ATOM 1182 CG ASN P 34 -4.304 -6.487 15.022 1.00 0.00 C ATOM 1183 OD1 ASN P 34 -3.493 -5.813 15.656 1.00 0.00 O ATOM 1184 ND2 ASN P 34 -4.197 -6.602 13.741 1.00 0.00 N ATOM 0 H ASN P 34 -6.937 -8.182 13.826 1.00 0.00 H new ATOM 0 HA ASN P 34 -7.353 -6.328 16.115 1.00 0.00 H new ATOM 0 HB2 ASN P 34 -5.360 -7.068 16.801 1.00 0.00 H new ATOM 0 HB3 ASN P 34 -5.389 -8.272 15.528 1.00 0.00 H new ATOM 0 HD21 ASN P 34 -3.437 -6.133 13.249 1.00 0.00 H new ATOM 0 HD22 ASN P 34 -4.872 -7.162 13.221 1.00 0.00 H new ATOM 1191 N GLY P 35 -7.435 -5.486 13.254 1.00 0.00 N ATOM 1192 CA GLY P 35 -7.432 -4.457 12.226 1.00 0.00 C ATOM 1193 C GLY P 35 -6.245 -4.565 11.269 1.00 0.00 C ATOM 1194 O GLY P 35 -5.137 -4.113 11.557 1.00 0.00 O ATOM 0 H GLY P 35 -8.135 -6.213 13.106 1.00 0.00 H new ATOM 0 HA2 GLY P 35 -8.358 -4.521 11.655 1.00 0.00 H new ATOM 0 HA3 GLY P 35 -7.418 -3.477 12.702 1.00 0.00 H new ATOM 1198 N TRP P 36 -6.520 -5.152 10.107 1.00 0.00 N ATOM 1199 CA TRP P 36 -5.523 -5.314 9.063 1.00 0.00 C ATOM 1200 C TRP P 36 -5.737 -4.201 8.025 1.00 0.00 C ATOM 1201 O TRP P 36 -5.520 -3.032 8.333 1.00 0.00 O ATOM 1202 CB TRP P 36 -5.681 -6.710 8.429 1.00 0.00 C ATOM 1203 CG TRP P 36 -4.861 -6.826 7.180 1.00 0.00 C ATOM 1204 CD1 TRP P 36 -5.077 -7.722 6.186 1.00 0.00 C ATOM 1205 CD2 TRP P 36 -3.720 -6.032 6.764 1.00 0.00 C ATOM 1206 NE1 TRP P 36 -4.142 -7.518 5.193 1.00 0.00 N ATOM 1207 CE2 TRP P 36 -3.283 -6.496 5.505 1.00 0.00 C ATOM 1208 CE3 TRP P 36 -3.029 -4.969 7.350 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 -2.200 -5.928 4.848 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 -1.932 -4.387 6.689 1.00 0.00 C ATOM 1211 CH2 TRP P 36 -1.519 -4.869 5.440 1.00 0.00 C ATOM 0 H TRP P 36 -7.438 -5.526 9.867 1.00 0.00 H new ATOM 0 HA TRP P 36 -4.512 -5.238 9.464 1.00 0.00 H new ATOM 0 HB2 TRP P 36 -5.374 -7.475 9.143 1.00 0.00 H new ATOM 0 HB3 TRP P 36 -6.731 -6.892 8.198 1.00 0.00 H new ATOM 0 HD1 TRP P 36 -5.854 -8.472 6.174 1.00 0.00 H new ATOM 0 HE1 TRP P 36 -4.095 -8.061 4.331 1.00 0.00 H new ATOM 0 HE3 TRP P 36 -3.338 -4.593 8.314 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 -1.889 -6.305 3.885 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 -1.405 -3.563 7.147 1.00 0.00 H new ATOM 0 HH2 TRP P 36 -0.675 -4.420 4.938 1.00 0.00 H new ATOM 1222 N VAL P 37 -6.199 -4.557 6.826 1.00 0.00 N ATOM 1223 CA VAL P 37 -6.474 -3.566 5.783 1.00 0.00 C ATOM 1224 C VAL P 37 -6.272 -4.190 4.392 1.00 0.00 C ATOM 1225 O VAL P 37 -7.088 -4.996 3.947 1.00 0.00 O ATOM 1226 CB VAL P 37 -5.587 -2.320 5.958 1.00 0.00 C ATOM 1227 CG1 VAL P 37 -4.123 -2.730 6.142 1.00 0.00 C ATOM 1228 CG2 VAL P 37 -5.720 -1.415 4.728 1.00 0.00 C ATOM 0 H VAL P 37 -6.390 -5.521 6.553 1.00 0.00 H new ATOM 0 HA VAL P 37 -7.513 -3.249 5.874 1.00 0.00 H new ATOM 0 HB VAL P 37 -5.914 -1.778 6.845 1.00 0.00 H new ATOM 0 HG11 VAL P 37 -3.508 -1.838 6.264 1.00 0.00 H new ATOM 0 HG12 VAL P 37 -4.030 -3.359 7.027 1.00 0.00 H new ATOM 0 HG13 VAL P 37 -3.788 -3.284 5.266 1.00 0.00 H new ATOM 0 HG21 VAL P 37 -5.091 -0.534 4.855 1.00 0.00 H new ATOM 0 HG22 VAL P 37 -5.405 -1.961 3.839 1.00 0.00 H new ATOM 0 HG23 VAL P 37 -6.759 -1.106 4.614 1.00 0.00 H new ATOM 1238 N SER P 38 -5.195 -3.827 3.708 1.00 0.00 N ATOM 1239 CA SER P 38 -4.929 -4.373 2.393 1.00 0.00 C ATOM 1240 C SER P 38 -3.422 -4.450 2.157 1.00 0.00 C ATOM 1241 O SER P 38 -2.718 -3.443 2.203 1.00 0.00 O ATOM 1242 CB SER P 38 -5.571 -3.489 1.328 1.00 0.00 C ATOM 1243 OG SER P 38 -5.046 -3.829 0.052 1.00 0.00 O ATOM 0 H SER P 38 -4.499 -3.161 4.043 1.00 0.00 H new ATOM 0 HA SER P 38 -5.352 -5.376 2.332 1.00 0.00 H new ATOM 0 HB2 SER P 38 -6.653 -3.620 1.335 1.00 0.00 H new ATOM 0 HB3 SER P 38 -5.376 -2.439 1.546 1.00 0.00 H new ATOM 0 HG SER P 38 -5.334 -3.164 -0.608 1.00 0.00 H new ATOM 1249 N CYS P 39 -2.941 -5.653 1.911 1.00 0.00 N ATOM 1250 CA CYS P 39 -1.530 -5.861 1.676 1.00 0.00 C ATOM 1251 C CYS P 39 -1.063 -4.952 0.558 1.00 0.00 C ATOM 1252 O CYS P 39 -1.822 -4.132 0.055 1.00 0.00 O ATOM 1253 CB CYS P 39 -1.254 -7.325 1.318 1.00 0.00 C ATOM 1254 SG CYS P 39 -2.062 -7.736 -0.247 1.00 0.00 S ATOM 0 H CYS P 39 -3.508 -6.500 1.869 1.00 0.00 H new ATOM 0 HA CYS P 39 -0.981 -5.623 2.587 1.00 0.00 H new ATOM 0 HB2 CYS P 39 -0.180 -7.493 1.238 1.00 0.00 H new ATOM 0 HB3 CYS P 39 -1.621 -7.978 2.110 1.00 0.00 H new ATOM 0 HG CYS P 39 -1.393 -8.675 -0.847 1.00 0.00 H new ATOM 1259 N SER P 40 0.182 -5.089 0.179 1.00 0.00 N ATOM 1260 CA SER P 40 0.721 -4.243 -0.869 1.00 0.00 C ATOM 1261 C SER P 40 -0.045 -4.446 -2.172 1.00 0.00 C ATOM 1262 O SER P 40 -0.284 -3.507 -2.919 1.00 0.00 O ATOM 1263 CB SER P 40 2.197 -4.568 -1.091 1.00 0.00 C ATOM 1264 OG SER P 40 2.460 -5.890 -0.637 1.00 0.00 O ATOM 0 H SER P 40 0.838 -5.766 0.570 1.00 0.00 H new ATOM 0 HA SER P 40 0.618 -3.203 -0.559 1.00 0.00 H new ATOM 0 HB2 SER P 40 2.446 -4.478 -2.148 1.00 0.00 H new ATOM 0 HB3 SER P 40 2.823 -3.855 -0.554 1.00 0.00 H new ATOM 0 HG SER P 40 3.406 -6.103 -0.779 1.00 0.00 H new ATOM 1270 N ASN P 41 -0.420 -5.682 -2.424 1.00 0.00 N ATOM 1271 CA ASN P 41 -1.147 -6.041 -3.632 1.00 0.00 C ATOM 1272 C ASN P 41 -2.534 -5.419 -3.662 1.00 0.00 C ATOM 1273 O ASN P 41 -2.768 -4.415 -4.336 1.00 0.00 O ATOM 1274 CB ASN P 41 -1.311 -7.545 -3.664 1.00 0.00 C ATOM 1275 CG ASN P 41 -0.011 -8.196 -4.111 1.00 0.00 C ATOM 1276 OD1 ASN P 41 0.133 -8.573 -5.270 1.00 0.00 O ATOM 1277 ND2 ASN P 41 0.952 -8.343 -3.245 1.00 0.00 N ATOM 0 H ASN P 41 -0.232 -6.468 -1.801 1.00 0.00 H new ATOM 0 HA ASN P 41 -0.582 -5.674 -4.489 1.00 0.00 H new ATOM 0 HB2 ASN P 41 -1.590 -7.911 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN P 41 -2.118 -7.818 -4.345 1.00 0.00 H new ATOM 0 HD21 ASN P 41 1.832 -8.774 -3.529 1.00 0.00 H new ATOM 0 HD22 ASN P 41 0.826 -8.027 -2.283 1.00 0.00 H new ATOM 1284 N CYS P 42 -3.454 -6.034 -2.931 1.00 0.00 N ATOM 1285 CA CYS P 42 -4.813 -5.536 -2.887 1.00 0.00 C ATOM 1286 C CYS P 42 -4.790 -4.008 -2.878 1.00 0.00 C ATOM 1287 O CYS P 42 -5.726 -3.358 -3.335 1.00 0.00 O ATOM 1288 CB CYS P 42 -5.525 -6.062 -1.637 1.00 0.00 C ATOM 1289 SG CYS P 42 -5.532 -7.877 -1.658 1.00 0.00 S ATOM 0 H CYS P 42 -3.283 -6.868 -2.369 1.00 0.00 H new ATOM 0 HA CYS P 42 -5.356 -5.883 -3.766 1.00 0.00 H new ATOM 0 HB2 CYS P 42 -5.021 -5.701 -0.740 1.00 0.00 H new ATOM 0 HB3 CYS P 42 -6.547 -5.685 -1.603 1.00 0.00 H new ATOM 0 HG CYS P 42 -4.397 -8.321 -1.204 1.00 0.00 H new ATOM 1294 N LYS P 43 -3.701 -3.445 -2.363 1.00 0.00 N ATOM 1295 CA LYS P 43 -3.553 -2.003 -2.308 1.00 0.00 C ATOM 1296 C LYS P 43 -3.347 -1.409 -3.704 1.00 0.00 C ATOM 1297 O LYS P 43 -4.105 -0.552 -4.128 1.00 0.00 O ATOM 1298 CB LYS P 43 -2.345 -1.639 -1.444 1.00 0.00 C ATOM 1299 CG LYS P 43 -2.684 -1.846 0.030 1.00 0.00 C ATOM 1300 CD LYS P 43 -3.393 -0.605 0.575 1.00 0.00 C ATOM 1301 CE LYS P 43 -2.352 0.416 1.035 1.00 0.00 C ATOM 1302 NZ LYS P 43 -2.995 1.753 1.176 1.00 0.00 N ATOM 0 H LYS P 43 -2.913 -3.967 -1.980 1.00 0.00 H new ATOM 0 HA LYS P 43 -4.468 -1.594 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS P 43 -1.490 -2.255 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS P 43 -2.060 -0.602 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS P 43 -3.322 -2.722 0.147 1.00 0.00 H new ATOM 0 HG3 LYS P 43 -1.774 -2.036 0.599 1.00 0.00 H new ATOM 0 HD2 LYS P 43 -4.030 -0.169 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS P 43 -4.041 -0.879 1.407 1.00 0.00 H new ATOM 0 HE2 LYS P 43 -1.919 0.107 1.986 1.00 0.00 H new ATOM 0 HE3 LYS P 43 -1.535 0.468 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 -2.287 2.447 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 -3.388 2.048 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 -3.760 1.698 1.879 1.00 0.00 H new ATOM 1316 N ARG P 44 -2.315 -1.864 -4.405 1.00 0.00 N ATOM 1317 CA ARG P 44 -2.021 -1.337 -5.740 1.00 0.00 C ATOM 1318 C ARG P 44 -3.219 -1.547 -6.662 1.00 0.00 C ATOM 1319 O ARG P 44 -3.477 -0.754 -7.564 1.00 0.00 O ATOM 1320 CB ARG P 44 -0.797 -2.058 -6.346 1.00 0.00 C ATOM 1321 CG ARG P 44 -0.059 -2.836 -5.253 1.00 0.00 C ATOM 1322 CD ARG P 44 1.285 -3.387 -5.752 1.00 0.00 C ATOM 1323 NE ARG P 44 1.935 -2.451 -6.654 1.00 0.00 N ATOM 1324 CZ ARG P 44 2.279 -1.229 -6.265 1.00 0.00 C ATOM 1325 NH1 ARG P 44 2.094 -0.853 -5.029 1.00 0.00 N ATOM 1326 NH2 ARG P 44 2.844 -0.413 -7.113 1.00 0.00 N ATOM 0 H ARG P 44 -1.673 -2.587 -4.080 1.00 0.00 H new ATOM 0 HA ARG P 44 -1.808 -0.272 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -1.118 -2.738 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.126 -1.332 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.111 -2.185 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -0.684 -3.660 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG P 44 1.937 -3.589 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG P 44 1.125 -4.336 -6.263 1.00 0.00 H new ATOM 0 HE ARG P 44 2.132 -2.741 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG P 44 1.683 -1.499 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG P 44 2.360 0.087 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG P 44 3.020 -0.715 -8.071 1.00 0.00 H new ATOM 0 HH22 ARG P 44 3.109 0.526 -6.817 1.00 0.00 H new ATOM 1340 N TRP P 45 -3.926 -2.630 -6.432 1.00 0.00 N ATOM 1341 CA TRP P 45 -5.092 -2.967 -7.251 1.00 0.00 C ATOM 1342 C TRP P 45 -6.395 -2.972 -6.467 1.00 0.00 C ATOM 1343 O TRP P 45 -7.365 -3.596 -6.892 1.00 0.00 O ATOM 1344 CB TRP P 45 -4.853 -4.334 -7.868 1.00 0.00 C ATOM 1345 CG TRP P 45 -3.601 -4.175 -8.611 1.00 0.00 C ATOM 1346 CD1 TRP P 45 -3.330 -3.078 -9.316 1.00 0.00 C ATOM 1347 CD2 TRP P 45 -2.445 -5.047 -8.712 1.00 0.00 C ATOM 1348 NE1 TRP P 45 -2.083 -3.181 -9.841 1.00 0.00 N ATOM 1349 CE2 TRP P 45 -1.481 -4.391 -9.517 1.00 0.00 C ATOM 1350 CE3 TRP P 45 -2.130 -6.320 -8.202 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 -0.249 -4.987 -9.798 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 -0.890 -6.913 -8.487 1.00 0.00 C ATOM 1353 CH2 TRP P 45 0.045 -6.243 -9.285 1.00 0.00 C ATOM 0 H TRP P 45 -3.723 -3.298 -5.688 1.00 0.00 H new ATOM 0 HA TRP P 45 -5.203 -2.198 -8.015 1.00 0.00 H new ATOM 0 HB2 TRP P 45 -4.768 -5.107 -7.104 1.00 0.00 H new ATOM 0 HB3 TRP P 45 -5.673 -4.624 -8.525 1.00 0.00 H new ATOM 0 HD1 TRP P 45 -3.997 -2.239 -9.449 1.00 0.00 H new ATOM 0 HE1 TRP P 45 -1.640 -2.457 -10.406 1.00 0.00 H new ATOM 0 HE3 TRP P 45 -2.847 -6.844 -7.587 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 0.473 -4.471 -10.413 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 -0.656 -7.890 -8.089 1.00 0.00 H new ATOM 0 HH2 TRP P 45 0.997 -6.704 -9.502 1.00 0.00 H new ATOM 1364 N ASN P 46 -6.419 -2.265 -5.346 1.00 0.00 N ATOM 1365 CA ASN P 46 -7.630 -2.200 -4.536 1.00 0.00 C ATOM 1366 C ASN P 46 -8.447 -3.463 -4.774 1.00 0.00 C ATOM 1367 O ASN P 46 -9.650 -3.413 -5.026 1.00 0.00 O ATOM 1368 CB ASN P 46 -8.452 -0.974 -4.926 1.00 0.00 C ATOM 1369 CG ASN P 46 -7.525 0.222 -5.131 1.00 0.00 C ATOM 1370 OD1 ASN P 46 -6.878 0.345 -6.170 1.00 0.00 O ATOM 1371 ND2 ASN P 46 -7.424 1.116 -4.189 1.00 0.00 N ATOM 0 H ASN P 46 -5.628 -1.736 -4.980 1.00 0.00 H new ATOM 0 HA ASN P 46 -7.364 -2.123 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN P 46 -9.011 -1.174 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN P 46 -9.183 -0.751 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN P 46 -6.808 1.919 -4.312 1.00 0.00 H new ATOM 0 HD22 ASN P 46 -7.961 1.013 -3.328 1.00 0.00 H new ATOM 1378 N LYS P 47 -7.757 -4.589 -4.750 1.00 0.00 N ATOM 1379 CA LYS P 47 -8.389 -5.868 -5.025 1.00 0.00 C ATOM 1380 C LYS P 47 -9.294 -6.327 -3.878 1.00 0.00 C ATOM 1381 O LYS P 47 -10.268 -5.655 -3.543 1.00 0.00 O ATOM 1382 CB LYS P 47 -7.306 -6.910 -5.296 1.00 0.00 C ATOM 1383 CG LYS P 47 -6.679 -6.647 -6.667 1.00 0.00 C ATOM 1384 CD LYS P 47 -7.643 -7.103 -7.764 1.00 0.00 C ATOM 1385 CE LYS P 47 -7.466 -8.602 -8.010 1.00 0.00 C ATOM 1386 NZ LYS P 47 -7.847 -8.924 -9.415 1.00 0.00 N ATOM 0 H LYS P 47 -6.760 -4.645 -4.543 1.00 0.00 H new ATOM 0 HA LYS P 47 -9.026 -5.751 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS P 47 -6.542 -6.866 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS P 47 -7.734 -7.912 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS P 47 -6.458 -5.586 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS P 47 -5.733 -7.181 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS P 47 -8.671 -6.891 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS P 47 -7.453 -6.548 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS P 47 -6.431 -8.892 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS P 47 -8.084 -9.171 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 -7.727 -9.943 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 -8.841 -8.662 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 -7.240 -8.392 -10.070 1.00 0.00 H new ATOM 1400 N ASP P 48 -8.998 -7.482 -3.300 1.00 0.00 N ATOM 1401 CA ASP P 48 -9.835 -8.000 -2.229 1.00 0.00 C ATOM 1402 C ASP P 48 -9.017 -8.739 -1.170 1.00 0.00 C ATOM 1403 O ASP P 48 -9.160 -9.946 -0.991 1.00 0.00 O ATOM 1404 CB ASP P 48 -10.872 -8.959 -2.814 1.00 0.00 C ATOM 1405 CG ASP P 48 -12.133 -8.939 -1.950 1.00 0.00 C ATOM 1406 OD1 ASP P 48 -12.606 -7.855 -1.651 1.00 0.00 O ATOM 1407 OD2 ASP P 48 -12.605 -10.009 -1.602 1.00 0.00 O ATOM 0 H ASP P 48 -8.201 -8.068 -3.548 1.00 0.00 H new ATOM 0 HA ASP P 48 -10.321 -7.151 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP P 48 -11.115 -8.669 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP P 48 -10.465 -9.969 -2.857 1.00 0.00 H new ATOM 1412 N CYS P 49 -8.185 -8.006 -0.455 1.00 0.00 N ATOM 1413 CA CYS P 49 -7.385 -8.586 0.593 1.00 0.00 C ATOM 1414 C CYS P 49 -8.194 -9.623 1.335 1.00 0.00 C ATOM 1415 O CYS P 49 -9.030 -9.281 2.171 1.00 0.00 O ATOM 1416 CB CYS P 49 -6.983 -7.493 1.588 1.00 0.00 C ATOM 1417 SG CYS P 49 -5.322 -7.831 2.199 1.00 0.00 S ATOM 0 H CYS P 49 -8.049 -7.004 -0.586 1.00 0.00 H new ATOM 0 HA CYS P 49 -6.500 -9.045 0.152 1.00 0.00 H new ATOM 0 HB2 CYS P 49 -7.014 -6.516 1.106 1.00 0.00 H new ATOM 0 HB3 CYS P 49 -7.689 -7.462 2.418 1.00 0.00 H new ATOM 0 HG CYS P 49 -4.816 -8.836 1.548 1.00 0.00 H new ATOM 1422 N THR P 50 -7.951 -10.887 1.063 1.00 0.00 N ATOM 1423 CA THR P 50 -8.700 -11.892 1.781 1.00 0.00 C ATOM 1424 C THR P 50 -7.945 -13.181 2.001 1.00 0.00 C ATOM 1425 O THR P 50 -7.229 -13.695 1.115 1.00 0.00 O ATOM 1426 CB THR P 50 -9.994 -12.219 1.067 1.00 0.00 C ATOM 1427 OG1 THR P 50 -9.837 -12.001 -0.314 1.00 0.00 O ATOM 1428 CG2 THR P 50 -11.100 -11.327 1.614 1.00 0.00 C ATOM 0 H THR P 50 -7.274 -11.232 0.383 1.00 0.00 H new ATOM 0 HA THR P 50 -8.894 -11.448 2.758 1.00 0.00 H new ATOM 0 HB THR P 50 -10.256 -13.264 1.232 1.00 0.00 H new ATOM 0 HG1 THR P 50 -9.829 -11.038 -0.494 1.00 0.00 H new ATOM 0 HG21 THR P 50 -12.037 -11.555 1.105 1.00 0.00 H new ATOM 0 HG22 THR P 50 -11.215 -11.504 2.683 1.00 0.00 H new ATOM 0 HG23 THR P 50 -10.841 -10.282 1.445 1.00 0.00 H new ATOM 1436 N PHE P 51 -8.186 -13.694 3.200 1.00 0.00 N ATOM 1437 CA PHE P 51 -7.648 -14.946 3.674 1.00 0.00 C ATOM 1438 C PHE P 51 -8.783 -15.677 4.390 1.00 0.00 C ATOM 1439 O PHE P 51 -8.567 -16.435 5.334 1.00 0.00 O ATOM 1440 CB PHE P 51 -6.528 -14.706 4.684 1.00 0.00 C ATOM 1441 CG PHE P 51 -5.184 -14.596 4.013 1.00 0.00 C ATOM 1442 CD1 PHE P 51 -5.008 -13.806 2.870 1.00 0.00 C ATOM 1443 CD2 PHE P 51 -4.103 -15.282 4.562 1.00 0.00 C ATOM 1444 CE1 PHE P 51 -3.742 -13.707 2.278 1.00 0.00 C ATOM 1445 CE2 PHE P 51 -2.842 -15.186 3.977 1.00 0.00 C ATOM 1446 CZ PHE P 51 -2.657 -14.399 2.833 1.00 0.00 C ATOM 0 H PHE P 51 -8.781 -13.229 3.886 1.00 0.00 H new ATOM 0 HA PHE P 51 -7.248 -15.517 2.836 1.00 0.00 H new ATOM 0 HB2 PHE P 51 -6.732 -13.792 5.242 1.00 0.00 H new ATOM 0 HB3 PHE P 51 -6.508 -15.523 5.406 1.00 0.00 H new ATOM 0 HD1 PHE P 51 -5.847 -13.274 2.446 1.00 0.00 H new ATOM 0 HD2 PHE P 51 -4.243 -15.890 5.444 1.00 0.00 H new ATOM 0 HE1 PHE P 51 -3.603 -13.099 1.396 1.00 0.00 H new ATOM 0 HE2 PHE P 51 -2.006 -15.719 4.406 1.00 0.00 H new ATOM 0 HZ PHE P 51 -1.680 -14.326 2.379 1.00 0.00 H new ATOM 1456 N ASN P 52 -9.996 -15.424 3.924 1.00 0.00 N ATOM 1457 CA ASN P 52 -11.183 -16.034 4.511 1.00 0.00 C ATOM 1458 C ASN P 52 -11.525 -17.257 3.702 1.00 0.00 C ATOM 1459 O ASN P 52 -11.257 -18.393 4.099 1.00 0.00 O ATOM 1460 CB ASN P 52 -12.314 -15.025 4.452 1.00 0.00 C ATOM 1461 CG ASN P 52 -11.811 -13.734 5.073 1.00 0.00 C ATOM 1462 OD1 ASN P 52 -12.248 -13.335 6.151 1.00 0.00 O ATOM 1463 ND2 ASN P 52 -10.905 -13.054 4.437 1.00 0.00 N ATOM 0 H ASN P 52 -10.186 -14.800 3.140 1.00 0.00 H new ATOM 0 HA ASN P 52 -11.015 -16.322 5.549 1.00 0.00 H new ATOM 0 HB2 ASN P 52 -12.625 -14.858 3.421 1.00 0.00 H new ATOM 0 HB3 ASN P 52 -13.186 -15.395 4.992 1.00 0.00 H new ATOM 0 HD21 ASN P 52 -10.551 -12.182 4.831 1.00 0.00 H new ATOM 0 HD22 ASN P 52 -10.548 -13.392 3.543 1.00 0.00 H new ATOM 1470 N TRP P 53 -12.013 -17.004 2.510 1.00 0.00 N ATOM 1471 CA TRP P 53 -12.261 -18.063 1.587 1.00 0.00 C ATOM 1472 C TRP P 53 -11.036 -18.973 1.673 1.00 0.00 C ATOM 1473 O TRP P 53 -11.111 -20.168 1.413 1.00 0.00 O ATOM 1474 CB TRP P 53 -12.351 -17.463 0.191 1.00 0.00 C ATOM 1475 CG TRP P 53 -11.059 -16.766 -0.053 1.00 0.00 C ATOM 1476 CD1 TRP P 53 -10.599 -15.707 0.658 1.00 0.00 C ATOM 1477 CD2 TRP P 53 -10.041 -17.070 -1.036 1.00 0.00 C ATOM 1478 NE1 TRP P 53 -9.359 -15.369 0.202 1.00 0.00 N ATOM 1479 CE2 TRP P 53 -8.969 -16.169 -0.854 1.00 0.00 C ATOM 1480 CE3 TRP P 53 -9.937 -18.031 -2.054 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 -7.837 -16.221 -1.648 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 -8.796 -18.081 -2.867 1.00 0.00 C ATOM 1483 CH2 TRP P 53 -7.745 -17.176 -2.663 1.00 0.00 C ATOM 0 H TRP P 53 -12.243 -16.072 2.166 1.00 0.00 H new ATOM 0 HA TRP P 53 -13.181 -18.606 1.802 1.00 0.00 H new ATOM 0 HB2 TRP P 53 -12.520 -18.240 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP P 53 -13.187 -16.767 0.121 1.00 0.00 H new ATOM 0 HD1 TRP P 53 -11.130 -15.211 1.457 1.00 0.00 H new ATOM 0 HE1 TRP P 53 -8.790 -14.618 0.593 1.00 0.00 H new ATOM 0 HE3 TRP P 53 -10.740 -18.736 -2.212 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 -7.027 -15.525 -1.483 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 -8.726 -18.819 -3.653 1.00 0.00 H new ATOM 0 HH2 TRP P 53 -6.866 -17.217 -3.289 1.00 0.00 H new ATOM 1494 N LEU P 54 -9.903 -18.362 2.086 1.00 0.00 N ATOM 1495 CA LEU P 54 -8.647 -19.089 2.269 1.00 0.00 C ATOM 1496 C LEU P 54 -8.780 -20.020 3.450 1.00 0.00 C ATOM 1497 O LEU P 54 -8.594 -21.226 3.354 1.00 0.00 O ATOM 1498 CB LEU P 54 -7.528 -18.111 2.601 1.00 0.00 C ATOM 1499 CG LEU P 54 -7.184 -17.330 1.367 1.00 0.00 C ATOM 1500 CD1 LEU P 54 -5.894 -16.535 1.592 1.00 0.00 C ATOM 1501 CD2 LEU P 54 -6.974 -18.302 0.232 1.00 0.00 C ATOM 0 H LEU P 54 -9.843 -17.366 2.297 1.00 0.00 H new ATOM 0 HA LEU P 54 -8.425 -19.636 1.353 1.00 0.00 H new ATOM 0 HB2 LEU P 54 -7.840 -17.437 3.399 1.00 0.00 H new ATOM 0 HB3 LEU P 54 -6.652 -18.649 2.963 1.00 0.00 H new ATOM 0 HG LEU P 54 -7.992 -16.636 1.134 1.00 0.00 H new ATOM 0 HD11 LEU P 54 -5.652 -15.971 0.691 1.00 0.00 H new ATOM 0 HD12 LEU P 54 -6.032 -15.846 2.425 1.00 0.00 H new ATOM 0 HD13 LEU P 54 -5.079 -17.221 1.820 1.00 0.00 H new ATOM 0 HD21 LEU P 54 -6.723 -17.753 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU P 54 -6.160 -18.982 0.482 1.00 0.00 H new ATOM 0 HD23 LEU P 54 -7.888 -18.874 0.069 1.00 0.00 H new ATOM 1513 N SER P 55 -9.131 -19.438 4.570 1.00 0.00 N ATOM 1514 CA SER P 55 -9.328 -20.223 5.765 1.00 0.00 C ATOM 1515 C SER P 55 -10.314 -21.345 5.444 1.00 0.00 C ATOM 1516 O SER P 55 -10.471 -22.295 6.210 1.00 0.00 O ATOM 1517 CB SER P 55 -9.891 -19.346 6.884 1.00 0.00 C ATOM 1518 OG SER P 55 -9.944 -20.099 8.088 1.00 0.00 O ATOM 0 H SER P 55 -9.285 -18.436 4.680 1.00 0.00 H new ATOM 0 HA SER P 55 -8.377 -20.638 6.097 1.00 0.00 H new ATOM 0 HB2 SER P 55 -9.265 -18.464 7.020 1.00 0.00 H new ATOM 0 HB3 SER P 55 -10.887 -18.992 6.618 1.00 0.00 H new ATOM 0 HG SER P 55 -10.239 -21.012 7.890 1.00 0.00 H new ATOM 1524 N SER P 56 -10.981 -21.220 4.295 1.00 0.00 N ATOM 1525 CA SER P 56 -11.946 -22.216 3.879 1.00 0.00 C ATOM 1526 C SER P 56 -11.460 -22.992 2.647 1.00 0.00 C ATOM 1527 O SER P 56 -11.969 -24.073 2.357 1.00 0.00 O ATOM 1528 CB SER P 56 -13.276 -21.538 3.550 1.00 0.00 C ATOM 1529 OG SER P 56 -13.666 -21.886 2.229 1.00 0.00 O ATOM 0 H SER P 56 -10.866 -20.441 3.646 1.00 0.00 H new ATOM 0 HA SER P 56 -12.073 -22.920 4.701 1.00 0.00 H new ATOM 0 HB2 SER P 56 -14.041 -21.849 4.261 1.00 0.00 H new ATOM 0 HB3 SER P 56 -13.178 -20.456 3.639 1.00 0.00 H new ATOM 0 HG SER P 56 -14.519 -21.454 2.015 1.00 0.00 H new ATOM 1535 N GLN P 57 -10.487 -22.454 1.911 1.00 0.00 N ATOM 1536 CA GLN P 57 -10.007 -23.158 0.732 1.00 0.00 C ATOM 1537 C GLN P 57 -8.795 -24.035 1.071 1.00 0.00 C ATOM 1538 O GLN P 57 -8.709 -25.190 0.656 1.00 0.00 O ATOM 1539 CB GLN P 57 -9.622 -22.142 -0.342 1.00 0.00 C ATOM 1540 CG GLN P 57 -9.962 -22.703 -1.725 1.00 0.00 C ATOM 1541 CD GLN P 57 -8.853 -22.336 -2.711 1.00 0.00 C ATOM 1542 OE1 GLN P 57 -9.123 -21.987 -3.858 1.00 0.00 O ATOM 1543 NE2 GLN P 57 -7.610 -22.397 -2.322 1.00 0.00 N ATOM 0 H GLN P 57 -10.031 -21.562 2.104 1.00 0.00 H new ATOM 0 HA GLN P 57 -10.804 -23.804 0.364 1.00 0.00 H new ATOM 0 HB2 GLN P 57 -10.154 -21.205 -0.178 1.00 0.00 H new ATOM 0 HB3 GLN P 57 -8.557 -21.919 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN P 57 -10.073 -23.786 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN P 57 -10.916 -22.301 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN P 57 -7.387 -22.687 -1.370 1.00 0.00 H new ATOM 0 HE22 GLN P 57 -6.860 -22.155 -2.970 1.00 0.00 H new