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 -44:sc= -2.83! USER MOD Set 1.2: P 15 CYS SG : rot 155:sc= -11.3! USER MOD Set 1.3: P 22 CYS SG : rot 167:sc= -0.657 USER MOD Set 1.4: P 39 CYS SG : rot -119:sc= 0.415! USER MOD Set 1.5: P 41 ASN : amide:sc= -18.3! C(o=-42!,f=-45!) USER MOD Set 1.6: P 42 CYS SG : rot -60:sc= -4.81! USER MOD Set 1.7: P 49 CYS SG : rot 38:sc= -4.86! USER MOD Single : P 8 GLN : amide:sc= -0.929 K(o=-0.93,f=-4.4!) USER MOD Single : P 9 ASN : amide:sc= -7.49! C(o=-7.5!,f=-8.3!) USER MOD Single : P 10 HIS :FLIP no HD1:sc= -2.41! C(o=-3.9!,f=-2.4!) USER MOD Single : P 11 SER OG : rot -126:sc= 0.608 USER MOD Single : P 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 27 ASN : amide:sc=-0.00244 X(o=-0.0024,f=-0.0024) USER MOD Single : P 29 ASN : amide:sc= -2.78! C(o=-2.8!,f=-2.5!) USER MOD Single : P 32 ASN : amide:sc= -9.51! C(o=-9.5!,f=-9.5!) USER MOD Single : P 34 ASN :FLIP amide:sc= -2.49! C(o=-4.7!,f=-2.5!) USER MOD Single : P 38 SER OG : rot 180:sc= -5.19! USER MOD Single : P 40 SER OG : rot 180:sc= 0 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= 0 X(o=0,f=0.0026) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -67:sc= 1.32 USER MOD Single : P 52 ASN :FLIP amide:sc= -0.252 F(o=-4.9!,f=-0.25) USER MOD Single : P 55 SER OG : rot 180:sc= 0 USER MOD Single : P 56 SER OG : rot 180:sc= 0 USER MOD Single : P 57 GLN :FLIP amide:sc= -1.19 F(o=-2.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 -1.568 -30.163 -2.205 1.00 0.00 N ATOM 734 CA ARG P 6 -1.644 -30.056 -3.654 1.00 0.00 C ATOM 735 C ARG P 6 -3.056 -29.706 -4.102 1.00 0.00 C ATOM 736 O ARG P 6 -4.004 -30.412 -3.762 1.00 0.00 O ATOM 737 CB ARG P 6 -1.271 -31.405 -4.270 1.00 0.00 C ATOM 738 CG ARG P 6 0.121 -31.806 -3.796 1.00 0.00 C ATOM 739 CD ARG P 6 1.129 -30.853 -4.417 1.00 0.00 C ATOM 740 NE ARG P 6 2.136 -30.470 -3.442 1.00 0.00 N ATOM 741 CZ ARG P 6 2.957 -29.483 -3.709 1.00 0.00 C ATOM 742 NH1 ARG P 6 2.934 -28.937 -4.895 1.00 0.00 N ATOM 743 NH2 ARG P 6 3.821 -29.092 -2.816 1.00 0.00 N ATOM 0 HA ARG P 6 -0.961 -29.271 -3.977 1.00 0.00 H new ATOM 0 HB2 ARG P 6 -1.999 -32.163 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG P 6 -1.293 -31.340 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG P 6 0.179 -31.764 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG P 6 0.340 -32.833 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG P 6 1.607 -31.328 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG P 6 0.618 -29.965 -4.788 1.00 0.00 H new ATOM 0 HE ARG P 6 2.204 -30.967 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG P 6 2.282 -29.279 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG P 6 3.568 -28.169 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG P 6 3.860 -29.554 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG P 6 4.459 -28.324 -3.025 1.00 0.00 H new ATOM 757 N ARG P 7 -3.219 -28.643 -4.881 1.00 0.00 N ATOM 758 CA ARG P 7 -4.559 -28.333 -5.327 1.00 0.00 C ATOM 759 C ARG P 7 -4.681 -27.173 -6.329 1.00 0.00 C ATOM 760 O ARG P 7 -5.674 -27.144 -7.054 1.00 0.00 O ATOM 761 CB ARG P 7 -5.465 -28.056 -4.125 1.00 0.00 C ATOM 762 CG ARG P 7 -4.681 -27.350 -3.021 1.00 0.00 C ATOM 763 CD ARG P 7 -5.407 -27.528 -1.683 1.00 0.00 C ATOM 764 NE ARG P 7 -6.596 -28.346 -1.865 1.00 0.00 N ATOM 765 CZ ARG P 7 -7.697 -27.838 -2.399 1.00 0.00 C ATOM 766 NH1 ARG P 7 -7.724 -26.587 -2.770 1.00 0.00 N ATOM 767 NH2 ARG P 7 -8.754 -28.587 -2.554 1.00 0.00 N ATOM 0 H ARG P 7 -2.481 -28.015 -5.200 1.00 0.00 H new ATOM 0 HA ARG P 7 -4.874 -29.222 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG P 7 -6.309 -27.439 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG P 7 -5.875 -28.992 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG P 7 -3.673 -27.760 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG P 7 -4.580 -26.290 -3.253 1.00 0.00 H new ATOM 0 HD2 ARG P 7 -4.741 -27.997 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG P 7 -5.684 -26.555 -1.278 1.00 0.00 H new ATOM 0 HE ARG P 7 -6.582 -29.325 -1.577 1.00 0.00 H new ATOM 0 HH11 ARG P 7 -6.898 -26.001 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG P 7 -8.571 -26.195 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG P 7 -8.733 -29.565 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG P 7 -9.601 -28.195 -2.965 1.00 0.00 H new ATOM 781 N GLN P 8 -3.775 -26.185 -6.407 1.00 0.00 N ATOM 782 CA GLN P 8 -4.090 -25.154 -7.379 1.00 0.00 C ATOM 783 C GLN P 8 -2.920 -24.294 -7.937 1.00 0.00 C ATOM 784 O GLN P 8 -2.039 -24.794 -8.634 1.00 0.00 O ATOM 785 CB GLN P 8 -5.155 -24.263 -6.757 1.00 0.00 C ATOM 786 CG GLN P 8 -4.744 -23.886 -5.337 1.00 0.00 C ATOM 787 CD GLN P 8 -5.935 -24.017 -4.389 1.00 0.00 C ATOM 788 OE1 GLN P 8 -6.913 -24.699 -4.692 1.00 0.00 O ATOM 789 NE2 GLN P 8 -5.899 -23.390 -3.246 1.00 0.00 N ATOM 0 H GLN P 8 -2.913 -26.086 -5.870 1.00 0.00 H new ATOM 0 HA GLN P 8 -4.424 -25.685 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN P 8 -5.287 -23.364 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN P 8 -6.114 -24.781 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN P 8 -3.931 -24.531 -5.003 1.00 0.00 H new ATOM 0 HG3 GLN P 8 -4.367 -22.863 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN P 8 -5.086 -22.826 -2.999 1.00 0.00 H new ATOM 0 HE22 GLN P 8 -6.684 -23.464 -2.599 1.00 0.00 H new ATOM 798 N ASN P 9 -3.009 -22.979 -7.707 1.00 0.00 N ATOM 799 CA ASN P 9 -2.072 -21.992 -8.257 1.00 0.00 C ATOM 800 C ASN P 9 -0.583 -22.332 -8.156 1.00 0.00 C ATOM 801 O ASN P 9 0.231 -21.638 -8.756 1.00 0.00 O ATOM 802 CB ASN P 9 -2.307 -20.639 -7.587 1.00 0.00 C ATOM 803 CG ASN P 9 -2.782 -20.848 -6.153 1.00 0.00 C ATOM 804 OD1 ASN P 9 -3.982 -20.931 -5.895 1.00 0.00 O ATOM 805 ND2 ASN P 9 -1.902 -20.931 -5.198 1.00 0.00 N ATOM 0 H ASN P 9 -3.740 -22.566 -7.128 1.00 0.00 H new ATOM 0 HA ASN P 9 -2.291 -21.981 -9.325 1.00 0.00 H new ATOM 0 HB2 ASN P 9 -1.387 -20.055 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN P 9 -3.050 -20.070 -8.146 1.00 0.00 H new ATOM 0 HD21 ASN P 9 -2.207 -21.065 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN P 9 -0.907 -20.862 -5.414 1.00 0.00 H new ATOM 812 N HIS P 10 -0.186 -23.344 -7.422 1.00 0.00 N ATOM 813 CA HIS P 10 1.231 -23.614 -7.346 1.00 0.00 C ATOM 814 C HIS P 10 1.934 -22.411 -6.714 1.00 0.00 C ATOM 815 O HIS P 10 1.530 -21.267 -6.911 1.00 0.00 O ATOM 816 CB HIS P 10 1.788 -23.832 -8.753 1.00 0.00 C ATOM 817 CG HIS P 10 0.921 -24.811 -9.494 1.00 0.00 C ATOM 818 ND1 HIS P 10 -0.158 -24.635 -10.326 1.00 0.00 N flip ATOM 819 CD2 HIS P 10 1.129 -26.183 -9.427 1.00 0.00 C flip ATOM 820 CE1 HIS P 10 -0.613 -25.871 -10.769 1.00 0.00 C flip ATOM 821 NE2 HIS P 10 0.197 -26.774 -10.198 1.00 0.00 N flip ATOM 0 H HIS P 10 -0.792 -23.970 -6.891 1.00 0.00 H new ATOM 0 HA HIS P 10 1.400 -24.507 -6.744 1.00 0.00 H new ATOM 0 HB2 HIS P 10 1.825 -22.885 -9.291 1.00 0.00 H new ATOM 0 HB3 HIS P 10 2.810 -24.207 -8.696 1.00 0.00 H new ATOM 0 HD2 HIS P 10 1.899 -26.685 -8.859 1.00 0.00 H new ATOM 0 HE1 HIS P 10 -1.443 -26.063 -11.433 1.00 0.00 H new ATOM 0 HE2 HIS P 10 0.117 -27.782 -10.331 1.00 0.00 H new ATOM 830 N SER P 11 2.970 -22.674 -5.952 1.00 0.00 N ATOM 831 CA SER P 11 3.706 -21.602 -5.293 1.00 0.00 C ATOM 832 C SER P 11 4.932 -21.189 -6.115 1.00 0.00 C ATOM 833 O SER P 11 5.550 -22.014 -6.784 1.00 0.00 O ATOM 834 CB SER P 11 4.165 -22.078 -3.920 1.00 0.00 C ATOM 835 OG SER P 11 3.048 -22.126 -3.041 1.00 0.00 O ATOM 0 H SER P 11 3.326 -23.612 -5.769 1.00 0.00 H new ATOM 0 HA SER P 11 3.046 -20.740 -5.196 1.00 0.00 H new ATOM 0 HB2 SER P 11 4.623 -23.064 -3.999 1.00 0.00 H new ATOM 0 HB3 SER P 11 4.925 -21.404 -3.524 1.00 0.00 H new ATOM 0 HG SER P 11 3.243 -21.602 -2.236 1.00 0.00 H new ATOM 841 N CYS P 12 5.282 -19.907 -6.055 1.00 0.00 N ATOM 842 CA CYS P 12 6.437 -19.417 -6.793 1.00 0.00 C ATOM 843 C CYS P 12 7.728 -19.832 -6.078 1.00 0.00 C ATOM 844 O CYS P 12 7.698 -20.197 -4.906 1.00 0.00 O ATOM 845 CB CYS P 12 6.354 -17.884 -6.994 1.00 0.00 C ATOM 846 SG CYS P 12 6.354 -16.974 -5.421 1.00 0.00 S ATOM 0 H CYS P 12 4.789 -19.199 -5.511 1.00 0.00 H new ATOM 0 HA CYS P 12 6.443 -19.867 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS P 12 7.197 -17.554 -7.601 1.00 0.00 H new ATOM 0 HB3 CYS P 12 5.448 -17.642 -7.550 1.00 0.00 H new ATOM 0 HG CYS P 12 5.550 -17.558 -4.582 1.00 0.00 H new ATOM 851 N ASP P 13 8.854 -19.829 -6.791 1.00 0.00 N ATOM 852 CA ASP P 13 10.110 -20.269 -6.171 1.00 0.00 C ATOM 853 C ASP P 13 10.219 -19.854 -4.700 1.00 0.00 C ATOM 854 O ASP P 13 10.475 -20.681 -3.814 1.00 0.00 O ATOM 855 CB ASP P 13 11.303 -19.676 -6.900 1.00 0.00 C ATOM 856 CG ASP P 13 12.306 -19.150 -5.873 1.00 0.00 C ATOM 857 OD1 ASP P 13 12.863 -19.959 -5.149 1.00 0.00 O ATOM 858 OD2 ASP P 13 12.503 -17.949 -5.831 1.00 0.00 O ATOM 0 H ASP P 13 8.927 -19.538 -7.766 1.00 0.00 H new ATOM 0 HA ASP P 13 10.109 -21.357 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP P 13 11.772 -20.431 -7.531 1.00 0.00 H new ATOM 0 HB3 ASP P 13 10.979 -18.869 -7.557 1.00 0.00 H new ATOM 863 N PRO P 14 10.059 -18.556 -4.419 1.00 0.00 N ATOM 864 CA PRO P 14 10.183 -18.019 -3.058 1.00 0.00 C ATOM 865 C PRO P 14 9.083 -18.507 -2.124 1.00 0.00 C ATOM 866 O PRO P 14 9.316 -18.701 -0.930 1.00 0.00 O ATOM 867 CB PRO P 14 10.178 -16.505 -3.270 1.00 0.00 C ATOM 868 CG PRO P 14 9.400 -16.314 -4.557 1.00 0.00 C ATOM 869 CD PRO P 14 9.704 -17.536 -5.420 1.00 0.00 C ATOM 0 HA PRO P 14 11.087 -18.359 -2.553 1.00 0.00 H new ATOM 0 HB2 PRO P 14 9.703 -15.987 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO P 14 11.191 -16.111 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO P 14 8.331 -16.233 -4.358 1.00 0.00 H new ATOM 0 HG3 PRO P 14 9.701 -15.396 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO P 14 8.842 -17.836 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO P 14 10.522 -17.348 -6.115 1.00 0.00 H new ATOM 877 N CYS P 15 7.899 -18.751 -2.656 1.00 0.00 N ATOM 878 CA CYS P 15 6.838 -19.263 -1.808 1.00 0.00 C ATOM 879 C CYS P 15 7.192 -20.660 -1.337 1.00 0.00 C ATOM 880 O CYS P 15 7.195 -20.947 -0.155 1.00 0.00 O ATOM 881 CB CYS P 15 5.529 -19.353 -2.560 1.00 0.00 C ATOM 882 SG CYS P 15 4.549 -17.892 -2.208 1.00 0.00 S ATOM 0 H CYS P 15 7.652 -18.609 -3.636 1.00 0.00 H new ATOM 0 HA CYS P 15 6.730 -18.578 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS P 15 5.715 -19.432 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS P 15 4.986 -20.251 -2.264 1.00 0.00 H new ATOM 0 HG CYS P 15 3.724 -17.676 -3.189 1.00 0.00 H new ATOM 887 N ARG P 16 7.485 -21.528 -2.280 1.00 0.00 N ATOM 888 CA ARG P 16 7.835 -22.893 -1.947 1.00 0.00 C ATOM 889 C ARG P 16 8.828 -22.919 -0.792 1.00 0.00 C ATOM 890 O ARG P 16 8.696 -23.717 0.135 1.00 0.00 O ATOM 891 CB ARG P 16 8.446 -23.569 -3.167 1.00 0.00 C ATOM 892 CG ARG P 16 7.410 -23.569 -4.284 1.00 0.00 C ATOM 893 CD ARG P 16 8.103 -23.475 -5.638 1.00 0.00 C ATOM 894 NE ARG P 16 7.401 -24.334 -6.573 1.00 0.00 N ATOM 895 CZ ARG P 16 7.014 -23.903 -7.776 1.00 0.00 C ATOM 896 NH1 ARG P 16 7.348 -22.710 -8.195 1.00 0.00 N ATOM 897 NH2 ARG P 16 6.314 -24.684 -8.561 1.00 0.00 N ATOM 0 H ARG P 16 7.488 -21.316 -3.278 1.00 0.00 H new ATOM 0 HA ARG P 16 6.935 -23.428 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG P 16 9.345 -23.040 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG P 16 8.744 -24.589 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG P 16 6.811 -24.478 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG P 16 6.726 -22.730 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG P 16 8.101 -22.445 -5.994 1.00 0.00 H new ATOM 0 HD3 ARG P 16 9.146 -23.780 -5.552 1.00 0.00 H new ATOM 0 HE ARG P 16 7.197 -25.296 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG P 16 7.909 -22.099 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG P 16 7.047 -22.390 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG P 16 6.063 -25.624 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG P 16 6.020 -24.352 -9.480 1.00 0.00 H new ATOM 911 N LYS P 17 9.816 -22.039 -0.858 1.00 0.00 N ATOM 912 CA LYS P 17 10.831 -21.970 0.188 1.00 0.00 C ATOM 913 C LYS P 17 10.261 -21.369 1.481 1.00 0.00 C ATOM 914 O LYS P 17 10.677 -21.728 2.582 1.00 0.00 O ATOM 915 CB LYS P 17 12.003 -21.112 -0.290 1.00 0.00 C ATOM 916 CG LYS P 17 12.786 -21.871 -1.364 1.00 0.00 C ATOM 917 CD LYS P 17 13.534 -23.040 -0.720 1.00 0.00 C ATOM 918 CE LYS P 17 12.765 -24.339 -0.968 1.00 0.00 C ATOM 919 NZ LYS P 17 13.725 -25.474 -1.068 1.00 0.00 N ATOM 0 H LYS P 17 9.938 -21.368 -1.616 1.00 0.00 H new ATOM 0 HA LYS P 17 11.168 -22.985 0.398 1.00 0.00 H new ATOM 0 HB2 LYS P 17 11.636 -20.167 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS P 17 12.656 -20.870 0.548 1.00 0.00 H new ATOM 0 HG2 LYS P 17 12.106 -22.239 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS P 17 13.491 -21.201 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS P 17 14.539 -23.115 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS P 17 13.644 -22.869 0.351 1.00 0.00 H new ATOM 0 HE2 LYS P 17 12.059 -24.517 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS P 17 12.183 -24.260 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 13.202 -26.357 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 14.382 -25.305 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 14.262 -25.554 -0.181 1.00 0.00 H new ATOM 933 N GLY P 18 9.297 -20.471 1.341 1.00 0.00 N ATOM 934 CA GLY P 18 8.666 -19.848 2.495 1.00 0.00 C ATOM 935 C GLY P 18 7.299 -20.477 2.703 1.00 0.00 C ATOM 936 O GLY P 18 6.409 -19.899 3.324 1.00 0.00 O ATOM 0 H GLY P 18 8.935 -20.158 0.440 1.00 0.00 H new ATOM 0 HA2 GLY P 18 9.284 -19.985 3.383 1.00 0.00 H new ATOM 0 HA3 GLY P 18 8.567 -18.774 2.338 1.00 0.00 H new ATOM 940 N LYS P 19 7.147 -21.655 2.133 1.00 0.00 N ATOM 941 CA LYS P 19 5.926 -22.381 2.186 1.00 0.00 C ATOM 942 C LYS P 19 4.740 -21.463 2.043 1.00 0.00 C ATOM 943 O LYS P 19 4.072 -21.192 3.002 1.00 0.00 O ATOM 944 CB LYS P 19 5.851 -23.123 3.502 1.00 0.00 C ATOM 945 CG LYS P 19 6.476 -24.488 3.290 1.00 0.00 C ATOM 946 CD LYS P 19 7.123 -24.971 4.588 1.00 0.00 C ATOM 947 CE LYS P 19 6.843 -26.461 4.774 1.00 0.00 C ATOM 948 NZ LYS P 19 6.160 -26.673 6.080 1.00 0.00 N ATOM 0 H LYS P 19 7.888 -22.129 1.616 1.00 0.00 H new ATOM 0 HA LYS P 19 5.901 -23.088 1.357 1.00 0.00 H new ATOM 0 HB2 LYS P 19 6.380 -22.576 4.282 1.00 0.00 H new ATOM 0 HB3 LYS P 19 4.816 -23.222 3.828 1.00 0.00 H new ATOM 0 HG2 LYS P 19 5.716 -25.199 2.966 1.00 0.00 H new ATOM 0 HG3 LYS P 19 7.223 -24.436 2.498 1.00 0.00 H new ATOM 0 HD2 LYS P 19 8.198 -24.793 4.559 1.00 0.00 H new ATOM 0 HD3 LYS P 19 6.730 -24.408 5.434 1.00 0.00 H new ATOM 0 HE2 LYS P 19 6.219 -26.830 3.960 1.00 0.00 H new ATOM 0 HE3 LYS P 19 7.775 -27.025 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 5.967 -27.687 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 6.771 -26.335 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 5.264 -26.146 6.093 1.00 0.00 H new ATOM 962 N ARG P 20 4.454 -20.966 0.861 1.00 0.00 N ATOM 963 CA ARG P 20 3.305 -20.110 0.776 1.00 0.00 C ATOM 964 C ARG P 20 2.525 -20.245 -0.525 1.00 0.00 C ATOM 965 O ARG P 20 3.070 -20.318 -1.623 1.00 0.00 O ATOM 966 CB ARG P 20 3.692 -18.651 1.003 1.00 0.00 C ATOM 967 CG ARG P 20 3.540 -18.275 2.489 1.00 0.00 C ATOM 968 CD ARG P 20 2.388 -19.060 3.129 1.00 0.00 C ATOM 969 NE ARG P 20 1.513 -18.181 3.866 1.00 0.00 N ATOM 970 CZ ARG P 20 0.772 -17.285 3.225 1.00 0.00 C ATOM 971 NH1 ARG P 20 0.902 -17.140 1.935 1.00 0.00 N ATOM 972 NH2 ARG P 20 -0.088 -16.553 3.872 1.00 0.00 N ATOM 0 H ARG P 20 4.969 -21.128 -0.004 1.00 0.00 H new ATOM 0 HA ARG P 20 2.638 -20.443 1.571 1.00 0.00 H new ATOM 0 HB2 ARG P 20 4.722 -18.488 0.685 1.00 0.00 H new ATOM 0 HB3 ARG P 20 3.063 -18.003 0.392 1.00 0.00 H new ATOM 0 HG2 ARG P 20 4.469 -18.484 3.020 1.00 0.00 H new ATOM 0 HG3 ARG P 20 3.354 -17.205 2.582 1.00 0.00 H new ATOM 0 HD2 ARG P 20 1.822 -19.578 2.355 1.00 0.00 H new ATOM 0 HD3 ARG P 20 2.789 -19.823 3.796 1.00 0.00 H new ATOM 0 HE ARG P 20 1.463 -18.248 4.883 1.00 0.00 H new ATOM 0 HH11 ARG P 20 1.571 -17.714 1.422 1.00 0.00 H new ATOM 0 HH12 ARG P 20 0.334 -16.453 1.439 1.00 0.00 H new ATOM 0 HH21 ARG P 20 -0.197 -16.665 4.880 1.00 0.00 H new ATOM 0 HH22 ARG P 20 -0.653 -15.867 3.371 1.00 0.00 H new ATOM 986 N ARG P 21 1.220 -20.255 -0.341 1.00 0.00 N ATOM 987 CA ARG P 21 0.261 -20.354 -1.420 1.00 0.00 C ATOM 988 C ARG P 21 0.216 -19.046 -2.195 1.00 0.00 C ATOM 989 O ARG P 21 0.443 -17.988 -1.617 1.00 0.00 O ATOM 990 CB ARG P 21 -1.099 -20.559 -0.779 1.00 0.00 C ATOM 991 CG ARG P 21 -1.464 -19.289 0.006 1.00 0.00 C ATOM 992 CD ARG P 21 -2.638 -18.588 -0.665 1.00 0.00 C ATOM 993 NE ARG P 21 -3.525 -19.591 -1.208 1.00 0.00 N ATOM 994 CZ ARG P 21 -4.305 -19.323 -2.247 1.00 0.00 C ATOM 995 NH1 ARG P 21 -4.330 -18.120 -2.753 1.00 0.00 N ATOM 996 NH2 ARG P 21 -5.051 -20.258 -2.763 1.00 0.00 N ATOM 0 H ARG P 21 0.789 -20.193 0.582 1.00 0.00 H new ATOM 0 HA ARG P 21 0.531 -21.167 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG P 21 -1.851 -20.762 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG P 21 -1.078 -21.423 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG P 21 -1.721 -19.547 1.033 1.00 0.00 H new ATOM 0 HG3 ARG P 21 -0.606 -18.619 0.051 1.00 0.00 H new ATOM 0 HD2 ARG P 21 -3.168 -17.964 0.055 1.00 0.00 H new ATOM 0 HD3 ARG P 21 -2.282 -17.929 -1.457 1.00 0.00 H new ATOM 0 HE ARG P 21 -3.552 -20.519 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG P 21 -3.749 -17.385 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG P 21 -4.930 -17.915 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG P 21 -5.036 -21.198 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG P 21 -5.650 -20.050 -3.562 1.00 0.00 H new ATOM 1010 N CYS P 22 -0.095 -19.070 -3.483 1.00 0.00 N ATOM 1011 CA CYS P 22 -0.148 -17.790 -4.165 1.00 0.00 C ATOM 1012 C CYS P 22 -0.782 -17.794 -5.546 1.00 0.00 C ATOM 1013 O CYS P 22 -1.350 -18.776 -6.010 1.00 0.00 O ATOM 1014 CB CYS P 22 1.245 -17.197 -4.256 1.00 0.00 C ATOM 1015 SG CYS P 22 2.357 -18.175 -5.301 1.00 0.00 S ATOM 0 H CYS P 22 -0.301 -19.898 -4.042 1.00 0.00 H new ATOM 0 HA CYS P 22 -0.811 -17.181 -3.550 1.00 0.00 H new ATOM 0 HB2 CYS P 22 1.179 -16.184 -4.652 1.00 0.00 H new ATOM 0 HB3 CYS P 22 1.669 -17.120 -3.255 1.00 0.00 H new ATOM 0 HG CYS P 22 3.429 -17.486 -5.558 1.00 0.00 H new ATOM 1020 N ASP P 23 -0.681 -16.629 -6.166 1.00 0.00 N ATOM 1021 CA ASP P 23 -1.239 -16.387 -7.483 1.00 0.00 C ATOM 1022 C ASP P 23 -0.337 -16.962 -8.563 1.00 0.00 C ATOM 1023 O ASP P 23 -0.757 -17.797 -9.362 1.00 0.00 O ATOM 1024 CB ASP P 23 -1.357 -14.879 -7.702 1.00 0.00 C ATOM 1025 CG ASP P 23 -1.598 -14.179 -6.359 1.00 0.00 C ATOM 1026 OD1 ASP P 23 -0.623 -13.868 -5.688 1.00 0.00 O ATOM 1027 OD2 ASP P 23 -2.751 -13.964 -6.025 1.00 0.00 O ATOM 0 H ASP P 23 -0.206 -15.820 -5.765 1.00 0.00 H new ATOM 0 HA ASP P 23 -2.216 -16.866 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP P 23 -0.447 -14.497 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP P 23 -2.177 -14.664 -8.387 1.00 0.00 H new ATOM 1032 N ALA P 24 0.904 -16.501 -8.576 1.00 0.00 N ATOM 1033 CA ALA P 24 1.863 -16.970 -9.555 1.00 0.00 C ATOM 1034 C ALA P 24 1.593 -18.444 -9.855 1.00 0.00 C ATOM 1035 O ALA P 24 2.026 -19.335 -9.127 1.00 0.00 O ATOM 1036 CB ALA P 24 3.279 -16.787 -9.006 1.00 0.00 C ATOM 0 H ALA P 24 1.266 -15.807 -7.922 1.00 0.00 H new ATOM 0 HA ALA P 24 1.767 -16.397 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA P 24 4.003 -17.139 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA P 24 3.456 -15.731 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA P 24 3.389 -17.360 -8.085 1.00 0.00 H new ATOM 1042 N PRO P 25 0.820 -18.704 -10.918 1.00 0.00 N ATOM 1043 CA PRO P 25 0.412 -20.052 -11.321 1.00 0.00 C ATOM 1044 C PRO P 25 1.362 -20.704 -12.321 1.00 0.00 C ATOM 1045 O PRO P 25 2.515 -20.300 -12.462 1.00 0.00 O ATOM 1046 CB PRO P 25 -0.949 -19.797 -11.964 1.00 0.00 C ATOM 1047 CG PRO P 25 -0.851 -18.384 -12.535 1.00 0.00 C ATOM 1048 CD PRO P 25 0.294 -17.668 -11.812 1.00 0.00 C ATOM 0 HA PRO P 25 0.402 -20.745 -10.480 1.00 0.00 H new ATOM 0 HB2 PRO P 25 -1.160 -20.526 -12.746 1.00 0.00 H new ATOM 0 HB3 PRO P 25 -1.753 -19.873 -11.232 1.00 0.00 H new ATOM 0 HG2 PRO P 25 -0.664 -18.417 -13.608 1.00 0.00 H new ATOM 0 HG3 PRO P 25 -1.789 -17.848 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO P 25 1.053 -17.314 -12.510 1.00 0.00 H new ATOM 0 HD3 PRO P 25 -0.060 -16.799 -11.258 1.00 0.00 H new ATOM 1056 N GLU P 26 0.860 -21.711 -13.020 1.00 0.00 N ATOM 1057 CA GLU P 26 1.658 -22.403 -14.012 1.00 0.00 C ATOM 1058 C GLU P 26 1.882 -21.494 -15.220 1.00 0.00 C ATOM 1059 O GLU P 26 2.591 -21.852 -16.159 1.00 0.00 O ATOM 1060 CB GLU P 26 0.941 -23.678 -14.461 1.00 0.00 C ATOM 1061 CG GLU P 26 1.848 -24.886 -14.214 1.00 0.00 C ATOM 1062 CD GLU P 26 1.037 -26.175 -14.369 1.00 0.00 C ATOM 1063 OE1 GLU P 26 -0.155 -26.076 -14.608 1.00 0.00 O ATOM 1064 OE2 GLU P 26 1.622 -27.238 -14.244 1.00 0.00 O ATOM 0 H GLU P 26 -0.092 -22.063 -12.917 1.00 0.00 H new ATOM 0 HA GLU P 26 2.620 -22.666 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU P 26 0.005 -23.794 -13.914 1.00 0.00 H new ATOM 0 HB3 GLU P 26 0.686 -23.611 -15.519 1.00 0.00 H new ATOM 0 HG2 GLU P 26 2.679 -24.880 -14.919 1.00 0.00 H new ATOM 0 HG3 GLU P 26 2.278 -24.833 -13.214 1.00 0.00 H new ATOM 1071 N ASN P 27 1.285 -20.308 -15.180 1.00 0.00 N ATOM 1072 CA ASN P 27 1.441 -19.360 -16.259 1.00 0.00 C ATOM 1073 C ASN P 27 2.002 -18.060 -15.707 1.00 0.00 C ATOM 1074 O ASN P 27 1.978 -17.023 -16.365 1.00 0.00 O ATOM 1075 CB ASN P 27 0.093 -19.098 -16.932 1.00 0.00 C ATOM 1076 CG ASN P 27 -0.734 -20.381 -16.935 1.00 0.00 C ATOM 1077 OD1 ASN P 27 -0.594 -21.215 -17.828 1.00 0.00 O ATOM 1078 ND2 ASN P 27 -1.594 -20.587 -15.980 1.00 0.00 N ATOM 0 H ASN P 27 0.693 -19.988 -14.413 1.00 0.00 H new ATOM 0 HA ASN P 27 2.127 -19.770 -17.000 1.00 0.00 H new ATOM 0 HB2 ASN P 27 -0.442 -18.309 -16.403 1.00 0.00 H new ATOM 0 HB3 ASN P 27 0.246 -18.749 -17.953 1.00 0.00 H new ATOM 0 HD21 ASN P 27 -2.152 -21.441 -15.972 1.00 0.00 H new ATOM 0 HD22 ASN P 27 -1.710 -19.895 -15.240 1.00 0.00 H new ATOM 1085 N ARG P 28 2.524 -18.138 -14.497 1.00 0.00 N ATOM 1086 CA ARG P 28 3.111 -16.972 -13.867 1.00 0.00 C ATOM 1087 C ARG P 28 4.053 -16.318 -14.863 1.00 0.00 C ATOM 1088 O ARG P 28 4.130 -15.095 -14.971 1.00 0.00 O ATOM 1089 CB ARG P 28 3.885 -17.378 -12.614 1.00 0.00 C ATOM 1090 CG ARG P 28 4.234 -16.124 -11.816 1.00 0.00 C ATOM 1091 CD ARG P 28 5.552 -16.339 -11.073 1.00 0.00 C ATOM 1092 NE ARG P 28 6.640 -16.399 -12.033 1.00 0.00 N ATOM 1093 CZ ARG P 28 7.129 -15.295 -12.574 1.00 0.00 C ATOM 1094 NH1 ARG P 28 6.731 -14.127 -12.158 1.00 0.00 N ATOM 1095 NH2 ARG P 28 8.045 -15.382 -13.491 1.00 0.00 N ATOM 0 H ARG P 28 2.553 -18.989 -13.935 1.00 0.00 H new ATOM 0 HA ARG P 28 2.325 -16.276 -13.573 1.00 0.00 H new ATOM 0 HB2 ARG P 28 3.287 -18.057 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG P 28 4.793 -17.913 -12.890 1.00 0.00 H new ATOM 0 HG2 ARG P 28 4.317 -15.267 -12.484 1.00 0.00 H new ATOM 0 HG3 ARG P 28 3.438 -15.899 -11.107 1.00 0.00 H new ATOM 0 HD2 ARG P 28 5.720 -15.527 -10.365 1.00 0.00 H new ATOM 0 HD3 ARG P 28 5.510 -17.262 -10.495 1.00 0.00 H new ATOM 0 HE ARG P 28 7.032 -17.304 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG P 28 6.039 -14.060 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG P 28 7.111 -13.279 -12.579 1.00 0.00 H new ATOM 0 HH21 ARG P 28 8.383 -16.297 -13.789 1.00 0.00 H new ATOM 0 HH22 ARG P 28 8.427 -14.535 -13.913 1.00 0.00 H new ATOM 1109 N ASN P 29 4.738 -17.157 -15.620 1.00 0.00 N ATOM 1110 CA ASN P 29 5.640 -16.666 -16.647 1.00 0.00 C ATOM 1111 C ASN P 29 4.811 -15.906 -17.680 1.00 0.00 C ATOM 1112 O ASN P 29 5.091 -14.753 -18.022 1.00 0.00 O ATOM 1113 CB ASN P 29 6.355 -17.838 -17.323 1.00 0.00 C ATOM 1114 CG ASN P 29 5.346 -18.946 -17.626 1.00 0.00 C ATOM 1115 OD1 ASN P 29 4.769 -18.989 -18.712 1.00 0.00 O ATOM 1116 ND2 ASN P 29 5.099 -19.853 -16.721 1.00 0.00 N ATOM 0 H ASN P 29 4.688 -18.173 -15.544 1.00 0.00 H new ATOM 0 HA ASN P 29 6.391 -16.012 -16.204 1.00 0.00 H new ATOM 0 HB2 ASN P 29 6.832 -17.504 -18.245 1.00 0.00 H new ATOM 0 HB3 ASN P 29 7.145 -18.218 -16.675 1.00 0.00 H new ATOM 0 HD21 ASN P 29 4.428 -20.597 -16.914 1.00 0.00 H new ATOM 0 HD22 ASN P 29 5.577 -19.818 -15.820 1.00 0.00 H new ATOM 1123 N GLU P 30 3.751 -16.553 -18.134 1.00 0.00 N ATOM 1124 CA GLU P 30 2.848 -15.933 -19.081 1.00 0.00 C ATOM 1125 C GLU P 30 2.168 -14.738 -18.413 1.00 0.00 C ATOM 1126 O GLU P 30 1.497 -13.939 -19.064 1.00 0.00 O ATOM 1127 CB GLU P 30 1.787 -16.941 -19.527 1.00 0.00 C ATOM 1128 CG GLU P 30 0.833 -16.271 -20.519 1.00 0.00 C ATOM 1129 CD GLU P 30 0.324 -17.312 -21.518 1.00 0.00 C ATOM 1130 OE1 GLU P 30 1.141 -17.857 -22.243 1.00 0.00 O ATOM 1131 OE2 GLU P 30 -0.873 -17.545 -21.542 1.00 0.00 O ATOM 0 H GLU P 30 3.498 -17.503 -17.862 1.00 0.00 H new ATOM 0 HA GLU P 30 3.410 -15.600 -19.954 1.00 0.00 H new ATOM 0 HB2 GLU P 30 2.263 -17.805 -19.991 1.00 0.00 H new ATOM 0 HB3 GLU P 30 1.232 -17.308 -18.663 1.00 0.00 H new ATOM 0 HG2 GLU P 30 -0.005 -15.821 -19.987 1.00 0.00 H new ATOM 0 HG3 GLU P 30 1.345 -15.466 -21.046 1.00 0.00 H new ATOM 1138 N ALA P 31 2.372 -14.614 -17.104 1.00 0.00 N ATOM 1139 CA ALA P 31 1.806 -13.514 -16.359 1.00 0.00 C ATOM 1140 C ALA P 31 2.704 -12.305 -16.551 1.00 0.00 C ATOM 1141 O ALA P 31 2.270 -11.248 -16.987 1.00 0.00 O ATOM 1142 CB ALA P 31 1.720 -13.876 -14.880 1.00 0.00 C ATOM 0 H ALA P 31 2.925 -15.265 -16.546 1.00 0.00 H new ATOM 0 HA ALA P 31 0.799 -13.294 -16.715 1.00 0.00 H new ATOM 0 HB1 ALA P 31 1.292 -13.041 -14.325 1.00 0.00 H new ATOM 0 HB2 ALA P 31 1.088 -14.755 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA P 31 2.719 -14.091 -14.499 1.00 0.00 H new ATOM 1148 N ASN P 32 3.978 -12.481 -16.275 1.00 0.00 N ATOM 1149 CA ASN P 32 4.905 -11.399 -16.496 1.00 0.00 C ATOM 1150 C ASN P 32 4.760 -10.981 -17.954 1.00 0.00 C ATOM 1151 O ASN P 32 4.950 -9.820 -18.315 1.00 0.00 O ATOM 1152 CB ASN P 32 6.330 -11.846 -16.207 1.00 0.00 C ATOM 1153 CG ASN P 32 6.773 -12.871 -17.239 1.00 0.00 C ATOM 1154 OD1 ASN P 32 6.901 -12.570 -18.425 1.00 0.00 O ATOM 1155 ND2 ASN P 32 7.015 -14.077 -16.837 1.00 0.00 N ATOM 0 H ASN P 32 4.386 -13.340 -15.907 1.00 0.00 H new ATOM 0 HA ASN P 32 4.689 -10.563 -15.830 1.00 0.00 H new ATOM 0 HB2 ASN P 32 7.000 -10.987 -16.225 1.00 0.00 H new ATOM 0 HB3 ASN P 32 6.389 -12.276 -15.207 1.00 0.00 H new ATOM 0 HD21 ASN P 32 7.315 -14.787 -17.505 1.00 0.00 H new ATOM 0 HD22 ASN P 32 6.906 -14.318 -15.852 1.00 0.00 H new ATOM 1162 N GLU P 33 4.373 -11.951 -18.781 1.00 0.00 N ATOM 1163 CA GLU P 33 4.143 -11.693 -20.194 1.00 0.00 C ATOM 1164 C GLU P 33 2.835 -10.911 -20.350 1.00 0.00 C ATOM 1165 O GLU P 33 2.729 -10.007 -21.177 1.00 0.00 O ATOM 1166 CB GLU P 33 4.042 -13.015 -20.958 1.00 0.00 C ATOM 1167 CG GLU P 33 4.776 -12.891 -22.294 1.00 0.00 C ATOM 1168 CD GLU P 33 3.880 -13.411 -23.420 1.00 0.00 C ATOM 1169 OE1 GLU P 33 3.907 -14.606 -23.667 1.00 0.00 O ATOM 1170 OE2 GLU P 33 3.184 -12.607 -24.016 1.00 0.00 O ATOM 0 H GLU P 33 4.214 -12.917 -18.495 1.00 0.00 H new ATOM 0 HA GLU P 33 4.974 -11.114 -20.598 1.00 0.00 H new ATOM 0 HB2 GLU P 33 4.475 -13.822 -20.367 1.00 0.00 H new ATOM 0 HB3 GLU P 33 2.996 -13.270 -21.128 1.00 0.00 H new ATOM 0 HG2 GLU P 33 5.043 -11.851 -22.479 1.00 0.00 H new ATOM 0 HG3 GLU P 33 5.706 -13.458 -22.264 1.00 0.00 H new ATOM 1177 N ASN P 34 1.856 -11.243 -19.511 1.00 0.00 N ATOM 1178 CA ASN P 34 0.585 -10.553 -19.519 1.00 0.00 C ATOM 1179 C ASN P 34 0.612 -9.526 -18.386 1.00 0.00 C ATOM 1180 O ASN P 34 -0.411 -9.046 -17.897 1.00 0.00 O ATOM 1181 CB ASN P 34 -0.546 -11.565 -19.329 1.00 0.00 C ATOM 1182 CG ASN P 34 -1.258 -11.334 -18.006 1.00 0.00 C ATOM 1183 OD1 ASN P 34 -0.572 -11.395 -16.913 1.00 0.00 O flip ATOM 1184 ND2 ASN P 34 -2.464 -11.094 -17.970 1.00 0.00 N flip ATOM 0 H ASN P 34 1.927 -11.989 -18.819 1.00 0.00 H new ATOM 0 HA ASN P 34 0.414 -10.044 -20.468 1.00 0.00 H new ATOM 0 HB2 ASN P 34 -1.258 -11.481 -20.150 1.00 0.00 H new ATOM 0 HB3 ASN P 34 -0.143 -12.577 -19.359 1.00 0.00 H new ATOM 0 HD21 ASN P 34 -3.001 -11.047 -18.836 1.00 0.00 H new ATOM 0 HD22 ASN P 34 -2.927 -10.942 -17.074 1.00 0.00 H new ATOM 1191 N GLY P 35 1.834 -9.205 -17.998 1.00 0.00 N ATOM 1192 CA GLY P 35 2.101 -8.253 -16.939 1.00 0.00 C ATOM 1193 C GLY P 35 1.786 -8.798 -15.547 1.00 0.00 C ATOM 1194 O GLY P 35 0.667 -8.689 -15.048 1.00 0.00 O ATOM 0 H GLY P 35 2.676 -9.603 -18.415 1.00 0.00 H new ATOM 0 HA2 GLY P 35 3.150 -7.960 -16.979 1.00 0.00 H new ATOM 0 HA3 GLY P 35 1.512 -7.352 -17.112 1.00 0.00 H new ATOM 1198 N TRP P 36 2.817 -9.358 -14.920 1.00 0.00 N ATOM 1199 CA TRP P 36 2.706 -9.896 -13.575 1.00 0.00 C ATOM 1200 C TRP P 36 3.496 -8.986 -12.623 1.00 0.00 C ATOM 1201 O TRP P 36 3.281 -7.775 -12.616 1.00 0.00 O ATOM 1202 CB TRP P 36 3.268 -11.321 -13.553 1.00 0.00 C ATOM 1203 CG TRP P 36 3.102 -11.955 -12.201 1.00 0.00 C ATOM 1204 CD1 TRP P 36 3.819 -13.013 -11.773 1.00 0.00 C ATOM 1205 CD2 TRP P 36 2.217 -11.594 -11.096 1.00 0.00 C ATOM 1206 NE1 TRP P 36 3.425 -13.340 -10.497 1.00 0.00 N ATOM 1207 CE2 TRP P 36 2.449 -12.504 -10.039 1.00 0.00 C ATOM 1208 CE3 TRP P 36 1.248 -10.605 -10.890 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 1.762 -12.444 -8.837 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 0.549 -10.535 -9.668 1.00 0.00 C ATOM 1211 CH2 TRP P 36 0.806 -11.456 -8.646 1.00 0.00 C ATOM 0 H TRP P 36 3.746 -9.450 -15.330 1.00 0.00 H new ATOM 0 HA TRP P 36 1.664 -9.932 -13.258 1.00 0.00 H new ATOM 0 HB2 TRP P 36 2.761 -11.926 -14.305 1.00 0.00 H new ATOM 0 HB3 TRP P 36 4.325 -11.301 -13.820 1.00 0.00 H new ATOM 0 HD1 TRP P 36 4.582 -13.523 -12.342 1.00 0.00 H new ATOM 0 HE1 TRP P 36 3.815 -14.113 -9.958 1.00 0.00 H new ATOM 0 HE3 TRP P 36 1.035 -9.891 -11.672 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 1.969 -13.160 -8.055 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 -0.192 -9.763 -9.519 1.00 0.00 H new ATOM 0 HH2 TRP P 36 0.263 -11.398 -7.714 1.00 0.00 H new ATOM 1222 N VAL P 37 4.412 -9.551 -11.834 1.00 0.00 N ATOM 1223 CA VAL P 37 5.208 -8.742 -10.912 1.00 0.00 C ATOM 1224 C VAL P 37 5.664 -9.576 -9.714 1.00 0.00 C ATOM 1225 O VAL P 37 6.856 -9.782 -9.496 1.00 0.00 O ATOM 1226 CB VAL P 37 4.377 -7.563 -10.400 1.00 0.00 C ATOM 1227 CG1 VAL P 37 2.947 -8.031 -10.122 1.00 0.00 C ATOM 1228 CG2 VAL P 37 4.998 -7.028 -9.107 1.00 0.00 C ATOM 0 H VAL P 37 4.618 -10.550 -11.815 1.00 0.00 H new ATOM 0 HA VAL P 37 6.082 -8.378 -11.452 1.00 0.00 H new ATOM 0 HB VAL P 37 4.362 -6.774 -11.151 1.00 0.00 H new ATOM 0 HG11 VAL P 37 2.354 -7.192 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL P 37 2.505 -8.415 -11.041 1.00 0.00 H new ATOM 0 HG13 VAL P 37 2.962 -8.819 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL P 37 4.408 -6.188 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL P 37 5.011 -7.818 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL P 37 6.018 -6.697 -9.303 1.00 0.00 H new ATOM 1238 N SER P 38 4.699 -10.047 -8.942 1.00 0.00 N ATOM 1239 CA SER P 38 4.982 -10.846 -7.771 1.00 0.00 C ATOM 1240 C SER P 38 3.670 -11.245 -7.106 1.00 0.00 C ATOM 1241 O SER P 38 2.699 -10.491 -7.127 1.00 0.00 O ATOM 1242 CB SER P 38 5.834 -10.049 -6.784 1.00 0.00 C ATOM 1243 OG SER P 38 5.513 -8.668 -6.896 1.00 0.00 O ATOM 0 H SER P 38 3.706 -9.886 -9.111 1.00 0.00 H new ATOM 0 HA SER P 38 5.531 -11.739 -8.070 1.00 0.00 H new ATOM 0 HB2 SER P 38 5.652 -10.395 -5.767 1.00 0.00 H new ATOM 0 HB3 SER P 38 6.893 -10.206 -6.990 1.00 0.00 H new ATOM 0 HG SER P 38 6.056 -8.153 -6.263 1.00 0.00 H new ATOM 1249 N CYS P 39 3.642 -12.422 -6.512 1.00 0.00 N ATOM 1250 CA CYS P 39 2.428 -12.871 -5.847 1.00 0.00 C ATOM 1251 C CYS P 39 2.319 -12.169 -4.508 1.00 0.00 C ATOM 1252 O CYS P 39 3.098 -11.280 -4.214 1.00 0.00 O ATOM 1253 CB CYS P 39 2.417 -14.386 -5.637 1.00 0.00 C ATOM 1254 SG CYS P 39 3.727 -14.811 -4.481 1.00 0.00 S ATOM 0 H CYS P 39 4.425 -13.074 -6.474 1.00 0.00 H new ATOM 0 HA CYS P 39 1.577 -12.624 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS P 39 1.450 -14.708 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS P 39 2.567 -14.901 -6.586 1.00 0.00 H new ATOM 0 HG CYS P 39 4.581 -15.600 -5.063 1.00 0.00 H new ATOM 1259 N SER P 40 1.365 -12.569 -3.702 1.00 0.00 N ATOM 1260 CA SER P 40 1.187 -11.937 -2.397 1.00 0.00 C ATOM 1261 C SER P 40 2.390 -12.197 -1.484 1.00 0.00 C ATOM 1262 O SER P 40 2.694 -11.412 -0.586 1.00 0.00 O ATOM 1263 CB SER P 40 -0.074 -12.486 -1.731 1.00 0.00 C ATOM 1264 OG SER P 40 0.295 -13.415 -0.721 1.00 0.00 O ATOM 0 H SER P 40 0.704 -13.317 -3.913 1.00 0.00 H new ATOM 0 HA SER P 40 1.096 -10.862 -2.552 1.00 0.00 H new ATOM 0 HB2 SER P 40 -0.654 -11.671 -1.298 1.00 0.00 H new ATOM 0 HB3 SER P 40 -0.709 -12.971 -2.472 1.00 0.00 H new ATOM 0 HG SER P 40 -0.512 -13.768 -0.291 1.00 0.00 H new ATOM 1270 N ASN P 41 3.056 -13.309 -1.715 1.00 0.00 N ATOM 1271 CA ASN P 41 4.203 -13.693 -0.906 1.00 0.00 C ATOM 1272 C ASN P 41 5.450 -12.890 -1.251 1.00 0.00 C ATOM 1273 O ASN P 41 5.800 -11.940 -0.547 1.00 0.00 O ATOM 1274 CB ASN P 41 4.482 -15.163 -1.123 1.00 0.00 C ATOM 1275 CG ASN P 41 3.457 -15.974 -0.347 1.00 0.00 C ATOM 1276 OD1 ASN P 41 3.544 -16.098 0.873 1.00 0.00 O ATOM 1277 ND2 ASN P 41 2.478 -16.528 -0.998 1.00 0.00 N ATOM 0 H ASN P 41 2.825 -13.968 -2.459 1.00 0.00 H new ATOM 0 HA ASN P 41 3.961 -13.489 0.137 1.00 0.00 H new ATOM 0 HB2 ASN P 41 4.430 -15.405 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN P 41 5.490 -15.409 -0.789 1.00 0.00 H new ATOM 0 HD21 ASN P 41 1.775 -17.070 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN P 41 2.413 -16.420 -2.010 1.00 0.00 H new ATOM 1284 N CYS P 42 6.128 -13.260 -2.336 1.00 0.00 N ATOM 1285 CA CYS P 42 7.320 -12.516 -2.707 1.00 0.00 C ATOM 1286 C CYS P 42 6.990 -11.036 -2.578 1.00 0.00 C ATOM 1287 O CYS P 42 7.840 -10.197 -2.320 1.00 0.00 O ATOM 1288 CB CYS P 42 7.749 -12.828 -4.130 1.00 0.00 C ATOM 1289 SG CYS P 42 6.384 -12.674 -5.224 1.00 0.00 S ATOM 0 H CYS P 42 5.883 -14.038 -2.949 1.00 0.00 H new ATOM 0 HA CYS P 42 8.146 -12.795 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS P 42 8.546 -12.150 -4.434 1.00 0.00 H new ATOM 0 HB3 CYS P 42 8.154 -13.839 -4.182 1.00 0.00 H new ATOM 0 HG CYS P 42 5.449 -13.506 -4.871 1.00 0.00 H new ATOM 1294 N LYS P 43 5.721 -10.736 -2.737 1.00 0.00 N ATOM 1295 CA LYS P 43 5.262 -9.370 -2.605 1.00 0.00 C ATOM 1296 C LYS P 43 5.583 -8.846 -1.212 1.00 0.00 C ATOM 1297 O LYS P 43 6.360 -7.917 -1.069 1.00 0.00 O ATOM 1298 CB LYS P 43 3.753 -9.273 -2.815 1.00 0.00 C ATOM 1299 CG LYS P 43 3.460 -8.926 -4.275 1.00 0.00 C ATOM 1300 CD LYS P 43 3.804 -7.457 -4.533 1.00 0.00 C ATOM 1301 CE LYS P 43 2.592 -6.584 -4.204 1.00 0.00 C ATOM 1302 NZ LYS P 43 2.123 -5.899 -5.441 1.00 0.00 N ATOM 0 H LYS P 43 4.991 -11.414 -2.957 1.00 0.00 H new ATOM 0 HA LYS P 43 5.771 -8.777 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS P 43 3.278 -10.218 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS P 43 3.332 -8.512 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS P 43 4.043 -9.568 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS P 43 2.409 -9.109 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS P 43 4.656 -7.159 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS P 43 4.094 -7.318 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS P 43 1.791 -7.196 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS P 43 2.856 -5.847 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 1.299 -5.305 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 2.887 -5.303 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 1.855 -6.610 -6.151 1.00 0.00 H new ATOM 1316 N ARG P 44 4.985 -9.450 -0.187 1.00 0.00 N ATOM 1317 CA ARG P 44 5.211 -8.994 1.177 1.00 0.00 C ATOM 1318 C ARG P 44 6.693 -8.993 1.526 1.00 0.00 C ATOM 1319 O ARG P 44 7.152 -8.161 2.298 1.00 0.00 O ATOM 1320 CB ARG P 44 4.503 -9.939 2.144 1.00 0.00 C ATOM 1321 CG ARG P 44 3.026 -10.028 1.784 1.00 0.00 C ATOM 1322 CD ARG P 44 2.480 -11.397 2.204 1.00 0.00 C ATOM 1323 NE ARG P 44 1.857 -11.290 3.514 1.00 0.00 N ATOM 1324 CZ ARG P 44 0.883 -10.409 3.725 1.00 0.00 C ATOM 1325 NH1 ARG P 44 0.411 -9.702 2.733 1.00 0.00 N ATOM 1326 NH2 ARG P 44 0.373 -10.267 4.913 1.00 0.00 N ATOM 0 H ARG P 44 4.350 -10.244 -0.275 1.00 0.00 H new ATOM 0 HA ARG P 44 4.825 -7.978 1.258 1.00 0.00 H new ATOM 0 HB2 ARG P 44 4.958 -10.928 2.100 1.00 0.00 H new ATOM 0 HB3 ARG P 44 4.617 -9.581 3.167 1.00 0.00 H new ATOM 0 HG2 ARG P 44 2.470 -9.234 2.283 1.00 0.00 H new ATOM 0 HG3 ARG P 44 2.893 -9.885 0.712 1.00 0.00 H new ATOM 0 HD2 ARG P 44 1.754 -11.751 1.472 1.00 0.00 H new ATOM 0 HD3 ARG P 44 3.287 -12.129 2.232 1.00 0.00 H new ATOM 0 HE ARG P 44 2.169 -11.894 4.275 1.00 0.00 H new ATOM 0 HH11 ARG P 44 0.789 -9.825 1.794 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -0.336 -9.027 2.898 1.00 0.00 H new ATOM 0 HH21 ARG P 44 0.720 -10.833 5.688 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -0.374 -9.590 5.070 1.00 0.00 H new ATOM 1340 N TRP P 45 7.424 -9.934 0.976 1.00 0.00 N ATOM 1341 CA TRP P 45 8.852 -10.031 1.266 1.00 0.00 C ATOM 1342 C TRP P 45 9.715 -9.772 0.036 1.00 0.00 C ATOM 1343 O TRP P 45 10.842 -10.253 -0.065 1.00 0.00 O ATOM 1344 CB TRP P 45 9.121 -11.404 1.849 1.00 0.00 C ATOM 1345 CG TRP P 45 8.232 -11.499 3.026 1.00 0.00 C ATOM 1346 CD1 TRP P 45 7.947 -10.451 3.817 1.00 0.00 C ATOM 1347 CD2 TRP P 45 7.481 -12.631 3.540 1.00 0.00 C ATOM 1348 NE1 TRP P 45 7.071 -10.849 4.790 1.00 0.00 N ATOM 1349 CE2 TRP P 45 6.750 -12.199 4.677 1.00 0.00 C ATOM 1350 CE3 TRP P 45 7.366 -13.975 3.142 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 5.934 -13.089 5.387 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 6.543 -14.857 3.857 1.00 0.00 C ATOM 1353 CH2 TRP P 45 5.833 -14.409 4.977 1.00 0.00 C ATOM 0 H TRP P 45 7.068 -10.640 0.332 1.00 0.00 H new ATOM 0 HA TRP P 45 9.123 -9.257 1.984 1.00 0.00 H new ATOM 0 HB2 TRP P 45 8.904 -12.190 1.126 1.00 0.00 H new ATOM 0 HB3 TRP P 45 10.167 -11.514 2.134 1.00 0.00 H new ATOM 0 HD1 TRP P 45 8.346 -9.454 3.703 1.00 0.00 H new ATOM 0 HE1 TRP P 45 6.698 -10.231 5.511 1.00 0.00 H new ATOM 0 HE3 TRP P 45 7.914 -14.329 2.282 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 5.385 -12.747 6.252 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 6.457 -15.886 3.542 1.00 0.00 H new ATOM 0 HH2 TRP P 45 5.204 -15.095 5.524 1.00 0.00 H new ATOM 1364 N ASN P 46 9.174 -8.987 -0.876 1.00 0.00 N ATOM 1365 CA ASN P 46 9.884 -8.625 -2.097 1.00 0.00 C ATOM 1366 C ASN P 46 10.858 -9.728 -2.504 1.00 0.00 C ATOM 1367 O ASN P 46 12.022 -9.470 -2.810 1.00 0.00 O ATOM 1368 CB ASN P 46 10.657 -7.326 -1.874 1.00 0.00 C ATOM 1369 CG ASN P 46 10.536 -6.438 -3.114 1.00 0.00 C ATOM 1370 OD1 ASN P 46 11.120 -6.733 -4.155 1.00 0.00 O ATOM 1371 ND2 ASN P 46 9.805 -5.358 -3.060 1.00 0.00 N ATOM 0 H ASN P 46 8.240 -8.584 -0.797 1.00 0.00 H new ATOM 0 HA ASN P 46 9.153 -8.491 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN P 46 10.266 -6.804 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN P 46 11.705 -7.545 -1.672 1.00 0.00 H new ATOM 0 HD21 ASN P 46 9.718 -4.759 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN P 46 9.320 -5.113 -2.197 1.00 0.00 H new ATOM 1378 N LYS P 47 10.375 -10.954 -2.490 1.00 0.00 N ATOM 1379 CA LYS P 47 11.199 -12.091 -2.839 1.00 0.00 C ATOM 1380 C LYS P 47 11.476 -12.136 -4.347 1.00 0.00 C ATOM 1381 O LYS P 47 12.066 -11.210 -4.900 1.00 0.00 O ATOM 1382 CB LYS P 47 10.496 -13.371 -2.403 1.00 0.00 C ATOM 1383 CG LYS P 47 10.559 -13.501 -0.880 1.00 0.00 C ATOM 1384 CD LYS P 47 11.978 -13.890 -0.458 1.00 0.00 C ATOM 1385 CE LYS P 47 12.305 -15.287 -0.990 1.00 0.00 C ATOM 1386 NZ LYS P 47 13.669 -15.684 -0.538 1.00 0.00 N ATOM 0 H LYS P 47 9.414 -11.187 -2.240 1.00 0.00 H new ATOM 0 HA LYS P 47 12.156 -11.997 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS P 47 9.457 -13.358 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS P 47 10.969 -14.234 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS P 47 10.275 -12.558 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS P 47 9.848 -14.253 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS P 47 12.695 -13.165 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS P 47 12.063 -13.874 0.629 1.00 0.00 H new ATOM 0 HE2 LYS P 47 11.568 -16.006 -0.632 1.00 0.00 H new ATOM 0 HE3 LYS P 47 12.255 -15.294 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 13.892 -16.633 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 14.367 -15.003 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 13.701 -15.693 0.501 1.00 0.00 H new ATOM 1400 N ASP P 48 11.114 -13.236 -4.999 1.00 0.00 N ATOM 1401 CA ASP P 48 11.403 -13.384 -6.398 1.00 0.00 C ATOM 1402 C ASP P 48 10.365 -14.225 -7.164 1.00 0.00 C ATOM 1403 O ASP P 48 10.655 -15.342 -7.587 1.00 0.00 O ATOM 1404 CB ASP P 48 12.732 -14.086 -6.468 1.00 0.00 C ATOM 1405 CG ASP P 48 13.054 -14.702 -5.104 1.00 0.00 C ATOM 1406 OD1 ASP P 48 13.241 -13.948 -4.164 1.00 0.00 O ATOM 1407 OD2 ASP P 48 13.111 -15.917 -5.024 1.00 0.00 O ATOM 0 H ASP P 48 10.625 -14.024 -4.575 1.00 0.00 H new ATOM 0 HA ASP P 48 11.394 -12.399 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP P 48 12.706 -14.862 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP P 48 13.513 -13.382 -6.755 1.00 0.00 H new ATOM 1412 N CYS P 49 9.176 -13.680 -7.364 1.00 0.00 N ATOM 1413 CA CYS P 49 8.140 -14.394 -8.109 1.00 0.00 C ATOM 1414 C CYS P 49 8.664 -14.827 -9.469 1.00 0.00 C ATOM 1415 O CYS P 49 8.724 -14.025 -10.400 1.00 0.00 O ATOM 1416 CB CYS P 49 6.926 -13.499 -8.363 1.00 0.00 C ATOM 1417 SG CYS P 49 5.414 -14.483 -8.192 1.00 0.00 S ATOM 0 H CYS P 49 8.902 -12.757 -7.027 1.00 0.00 H new ATOM 0 HA CYS P 49 7.856 -15.257 -7.506 1.00 0.00 H new ATOM 0 HB2 CYS P 49 6.916 -12.670 -7.656 1.00 0.00 H new ATOM 0 HB3 CYS P 49 6.981 -13.066 -9.362 1.00 0.00 H new ATOM 0 HG CYS P 49 5.556 -15.330 -7.216 1.00 0.00 H new ATOM 1422 N THR P 50 9.025 -16.086 -9.602 1.00 0.00 N ATOM 1423 CA THR P 50 9.511 -16.550 -10.886 1.00 0.00 C ATOM 1424 C THR P 50 9.276 -18.050 -11.081 1.00 0.00 C ATOM 1425 O THR P 50 9.304 -18.842 -10.132 1.00 0.00 O ATOM 1426 CB THR P 50 10.991 -16.211 -11.045 1.00 0.00 C ATOM 1427 OG1 THR P 50 11.636 -16.283 -9.786 1.00 0.00 O ATOM 1428 CG2 THR P 50 11.126 -14.797 -11.602 1.00 0.00 C ATOM 0 H THR P 50 8.994 -16.788 -8.863 1.00 0.00 H new ATOM 0 HA THR P 50 8.943 -16.033 -11.659 1.00 0.00 H new ATOM 0 HB THR P 50 11.454 -16.923 -11.728 1.00 0.00 H new ATOM 0 HG1 THR P 50 11.302 -15.567 -9.206 1.00 0.00 H new ATOM 0 HG21 THR P 50 12.182 -14.551 -11.717 1.00 0.00 H new ATOM 0 HG22 THR P 50 10.632 -14.739 -12.572 1.00 0.00 H new ATOM 0 HG23 THR P 50 10.661 -14.090 -10.915 1.00 0.00 H new ATOM 1436 N PHE P 51 9.020 -18.400 -12.339 1.00 0.00 N ATOM 1437 CA PHE P 51 8.756 -19.773 -12.758 1.00 0.00 C ATOM 1438 C PHE P 51 9.605 -20.081 -14.000 1.00 0.00 C ATOM 1439 O PHE P 51 9.293 -20.981 -14.777 1.00 0.00 O ATOM 1440 CB PHE P 51 7.285 -19.921 -13.179 1.00 0.00 C ATOM 1441 CG PHE P 51 6.374 -20.134 -11.998 1.00 0.00 C ATOM 1442 CD1 PHE P 51 6.441 -19.305 -10.873 1.00 0.00 C ATOM 1443 CD2 PHE P 51 5.432 -21.159 -12.054 1.00 0.00 C ATOM 1444 CE1 PHE P 51 5.562 -19.508 -9.802 1.00 0.00 C ATOM 1445 CE2 PHE P 51 4.557 -21.365 -10.988 1.00 0.00 C ATOM 1446 CZ PHE P 51 4.619 -20.540 -9.860 1.00 0.00 C ATOM 0 H PHE P 51 8.990 -17.728 -13.106 1.00 0.00 H new ATOM 0 HA PHE P 51 8.988 -20.443 -11.930 1.00 0.00 H new ATOM 0 HB2 PHE P 51 6.972 -19.028 -13.721 1.00 0.00 H new ATOM 0 HB3 PHE P 51 7.188 -20.761 -13.867 1.00 0.00 H new ATOM 0 HD1 PHE P 51 7.170 -18.509 -10.831 1.00 0.00 H new ATOM 0 HD2 PHE P 51 5.379 -21.795 -12.925 1.00 0.00 H new ATOM 0 HE1 PHE P 51 5.612 -18.869 -8.933 1.00 0.00 H new ATOM 0 HE2 PHE P 51 3.830 -22.163 -11.033 1.00 0.00 H new ATOM 0 HZ PHE P 51 3.940 -20.699 -9.035 1.00 0.00 H new ATOM 1456 N ASN P 52 10.657 -19.297 -14.194 1.00 0.00 N ATOM 1457 CA ASN P 52 11.519 -19.461 -15.369 1.00 0.00 C ATOM 1458 C ASN P 52 12.720 -20.339 -15.054 1.00 0.00 C ATOM 1459 O ASN P 52 12.698 -21.561 -15.252 1.00 0.00 O ATOM 1460 CB ASN P 52 12.018 -18.103 -15.847 1.00 0.00 C ATOM 1461 CG ASN P 52 10.886 -17.111 -15.758 1.00 0.00 C ATOM 1462 OD1 ASN P 52 10.561 -16.674 -14.592 1.00 0.00 O flip ATOM 1463 ND2 ASN P 52 10.288 -16.728 -16.763 1.00 0.00 N flip ATOM 0 H ASN P 52 10.937 -18.546 -13.563 1.00 0.00 H new ATOM 0 HA ASN P 52 10.925 -19.939 -16.148 1.00 0.00 H new ATOM 0 HB2 ASN P 52 12.858 -17.773 -15.236 1.00 0.00 H new ATOM 0 HB3 ASN P 52 12.379 -18.173 -16.873 1.00 0.00 H new ATOM 0 HD21 ASN P 52 10.555 -17.082 -17.681 1.00 0.00 H new ATOM 0 HD22 ASN P 52 9.525 -16.056 -16.678 1.00 0.00 H new ATOM 1470 N TRP P 53 13.752 -19.718 -14.503 1.00 0.00 N ATOM 1471 CA TRP P 53 14.918 -20.449 -14.101 1.00 0.00 C ATOM 1472 C TRP P 53 14.416 -21.693 -13.397 1.00 0.00 C ATOM 1473 O TRP P 53 15.075 -22.726 -13.368 1.00 0.00 O ATOM 1474 CB TRP P 53 15.716 -19.600 -13.127 1.00 0.00 C ATOM 1475 CG TRP P 53 14.818 -19.245 -11.993 1.00 0.00 C ATOM 1476 CD1 TRP P 53 13.659 -18.548 -12.101 1.00 0.00 C ATOM 1477 CD2 TRP P 53 14.968 -19.565 -10.587 1.00 0.00 C ATOM 1478 NE1 TRP P 53 13.084 -18.448 -10.868 1.00 0.00 N ATOM 1479 CE2 TRP P 53 13.859 -19.036 -9.896 1.00 0.00 C ATOM 1480 CE3 TRP P 53 15.941 -20.254 -9.846 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 13.718 -19.175 -8.529 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 15.803 -20.400 -8.456 1.00 0.00 C ATOM 1483 CH2 TRP P 53 14.693 -19.855 -7.796 1.00 0.00 C ATOM 0 H TRP P 53 13.795 -18.714 -14.329 1.00 0.00 H new ATOM 0 HA TRP P 53 15.554 -20.703 -14.949 1.00 0.00 H new ATOM 0 HB2 TRP P 53 16.587 -20.148 -12.768 1.00 0.00 H new ATOM 0 HB3 TRP P 53 16.085 -18.700 -13.618 1.00 0.00 H new ATOM 0 HD1 TRP P 53 13.257 -18.138 -13.016 1.00 0.00 H new ATOM 0 HE1 TRP P 53 12.189 -17.993 -10.689 1.00 0.00 H new ATOM 0 HE3 TRP P 53 16.800 -20.674 -10.347 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 12.856 -18.759 -8.028 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 16.555 -20.934 -7.894 1.00 0.00 H new ATOM 0 HH2 TRP P 53 14.592 -19.960 -6.726 1.00 0.00 H new ATOM 1494 N LEU P 54 13.207 -21.557 -12.852 1.00 0.00 N ATOM 1495 CA LEU P 54 12.540 -22.641 -12.167 1.00 0.00 C ATOM 1496 C LEU P 54 12.059 -23.657 -13.180 1.00 0.00 C ATOM 1497 O LEU P 54 12.373 -24.838 -13.106 1.00 0.00 O ATOM 1498 CB LEU P 54 11.333 -22.080 -11.444 1.00 0.00 C ATOM 1499 CG LEU P 54 11.830 -21.121 -10.401 1.00 0.00 C ATOM 1500 CD1 LEU P 54 10.696 -20.781 -9.441 1.00 0.00 C ATOM 1501 CD2 LEU P 54 12.988 -21.765 -9.648 1.00 0.00 C ATOM 0 H LEU P 54 12.671 -20.690 -12.878 1.00 0.00 H new ATOM 0 HA LEU P 54 13.228 -23.114 -11.466 1.00 0.00 H new ATOM 0 HB2 LEU P 54 10.669 -21.573 -12.144 1.00 0.00 H new ATOM 0 HB3 LEU P 54 10.757 -22.882 -10.983 1.00 0.00 H new ATOM 0 HG LEU P 54 12.176 -20.201 -10.872 1.00 0.00 H new ATOM 0 HD11 LEU P 54 11.057 -20.085 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU P 54 9.876 -20.323 -9.994 1.00 0.00 H new ATOM 0 HD13 LEU P 54 10.343 -21.692 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU P 54 13.356 -21.076 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU P 54 12.646 -22.683 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU P 54 13.792 -21.998 -10.347 1.00 0.00 H new ATOM 1513 N SER P 55 11.307 -23.175 -14.148 1.00 0.00 N ATOM 1514 CA SER P 55 10.818 -24.050 -15.194 1.00 0.00 C ATOM 1515 C SER P 55 11.942 -25.014 -15.558 1.00 0.00 C ATOM 1516 O SER P 55 11.710 -26.152 -15.964 1.00 0.00 O ATOM 1517 CB SER P 55 10.423 -23.233 -16.424 1.00 0.00 C ATOM 1518 OG SER P 55 11.103 -23.744 -17.564 1.00 0.00 O ATOM 0 H SER P 55 11.024 -22.199 -14.233 1.00 0.00 H new ATOM 0 HA SER P 55 9.940 -24.595 -14.848 1.00 0.00 H new ATOM 0 HB2 SER P 55 9.345 -23.282 -16.577 1.00 0.00 H new ATOM 0 HB3 SER P 55 10.677 -22.183 -16.275 1.00 0.00 H new ATOM 0 HG SER P 55 10.851 -23.224 -18.356 1.00 0.00 H new ATOM 1524 N SER P 56 13.170 -24.536 -15.381 1.00 0.00 N ATOM 1525 CA SER P 56 14.344 -25.342 -15.662 1.00 0.00 C ATOM 1526 C SER P 56 14.905 -25.961 -14.369 1.00 0.00 C ATOM 1527 O SER P 56 15.498 -27.038 -14.395 1.00 0.00 O ATOM 1528 CB SER P 56 15.420 -24.468 -16.307 1.00 0.00 C ATOM 1529 OG SER P 56 15.891 -25.096 -17.491 1.00 0.00 O ATOM 0 H SER P 56 13.374 -23.595 -15.044 1.00 0.00 H new ATOM 0 HA SER P 56 14.056 -26.146 -16.340 1.00 0.00 H new ATOM 0 HB2 SER P 56 15.013 -23.484 -16.541 1.00 0.00 H new ATOM 0 HB3 SER P 56 16.245 -24.314 -15.611 1.00 0.00 H new ATOM 0 HG SER P 56 16.580 -24.536 -17.907 1.00 0.00 H new ATOM 1535 N GLN P 57 14.722 -25.277 -13.242 1.00 0.00 N ATOM 1536 CA GLN P 57 15.228 -25.781 -11.968 1.00 0.00 C ATOM 1537 C GLN P 57 14.596 -27.126 -11.606 1.00 0.00 C ATOM 1538 O GLN P 57 15.283 -28.064 -11.206 1.00 0.00 O ATOM 1539 CB GLN P 57 14.911 -24.781 -10.855 1.00 0.00 C ATOM 1540 CG GLN P 57 15.423 -25.324 -9.518 1.00 0.00 C ATOM 1541 CD GLN P 57 14.290 -26.056 -8.791 1.00 0.00 C ATOM 1542 OE1 GLN P 57 13.148 -25.449 -8.601 1.00 0.00 O flip ATOM 1543 NE2 GLN P 57 14.447 -27.206 -8.385 1.00 0.00 N flip ATOM 0 H GLN P 57 14.233 -24.383 -13.184 1.00 0.00 H new ATOM 0 HA GLN P 57 16.305 -25.914 -12.071 1.00 0.00 H new ATOM 0 HB2 GLN P 57 15.377 -23.820 -11.072 1.00 0.00 H new ATOM 0 HB3 GLN P 57 13.836 -24.609 -10.802 1.00 0.00 H new ATOM 0 HG2 GLN P 57 16.259 -26.003 -9.686 1.00 0.00 H new ATOM 0 HG3 GLN P 57 15.796 -24.506 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN P 57 15.337 -27.682 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN P 57 13.687 -27.684 -7.901 1.00 0.00 H new