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 50 THR OG1 : rot -96:sc= 0.42 USER MOD Set 1.2: P 52 ASN : amide:sc= -3.88! K(o=-3.5!,f=0.23) USER MOD Set 2.1: P 11 SER OG : rot -170:sc= -0.551 USER MOD Set 2.2: P 12 CYS SG : rot -55:sc= -5.94! USER MOD Set 2.3: P 15 CYS SG : rot -91:sc= -9.25! USER MOD Set 2.4: P 22 CYS SG : rot 112:sc= -3.86! USER MOD Set 2.5: P 39 CYS SG : rot -146:sc= 0.739 USER MOD Set 2.6: P 41 ASN : amide:sc= -18.4! C(o=-50!,f=-47!) USER MOD Set 2.7: P 42 CYS SG : rot 86:sc= -11.6! USER MOD Set 2.8: P 49 CYS SG : rot 65:sc= -0.655! USER MOD Single : P 8 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.27) USER MOD Single : P 9 ASN : amide:sc= -5.49! C(o=-5.5!,f=-4.7!) USER MOD Single : P 10 HIS : no HD1:sc= -1.7! K(o=-1.7!,f=-0.72) 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= -1.04 X(o=-1,f=-0.74) USER MOD Single : P 29 ASN : amide:sc= -9.15! C(o=-9.1!,f=-16!) USER MOD Single : P 32 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : P 34 ASN : amide:sc= -4.21! C(o=-4.2!,f=-2.1!) USER MOD Single : P 38 SER OG : rot 180:sc= -1.59! USER MOD Single : P 40 SER OG : rot 21:sc= 0.334 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc=-0.00106 X(o=-0.0011,f=0) USER MOD Single : P 47 LYS NZ :NH3+ 175:sc= 0.166 (180deg=0.149) 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 : amide:sc= -1.74 K(o=-1.7,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 5.292 0.948 -30.609 1.00 0.00 N ATOM 734 CA ARG P 6 6.388 0.002 -30.747 1.00 0.00 C ATOM 735 C ARG P 6 7.791 0.611 -30.585 1.00 0.00 C ATOM 736 O ARG P 6 7.988 1.825 -30.539 1.00 0.00 O ATOM 737 CB ARG P 6 6.317 -0.582 -32.156 1.00 0.00 C ATOM 738 CG ARG P 6 5.584 -1.912 -32.127 1.00 0.00 C ATOM 739 CD ARG P 6 6.587 -3.020 -31.842 1.00 0.00 C ATOM 740 NE ARG P 6 6.016 -4.287 -32.236 1.00 0.00 N ATOM 741 CZ ARG P 6 6.792 -5.302 -32.606 1.00 0.00 C ATOM 742 NH1 ARG P 6 8.092 -5.178 -32.568 1.00 0.00 N ATOM 743 NH2 ARG P 6 6.264 -6.429 -33.000 1.00 0.00 N ATOM 0 HA ARG P 6 6.264 -0.731 -29.950 1.00 0.00 H new ATOM 0 HB2 ARG P 6 5.803 0.112 -32.821 1.00 0.00 H new ATOM 0 HB3 ARG P 6 7.323 -0.719 -32.553 1.00 0.00 H new ATOM 0 HG2 ARG P 6 4.809 -1.899 -31.361 1.00 0.00 H new ATOM 0 HG3 ARG P 6 5.087 -2.089 -33.081 1.00 0.00 H new ATOM 0 HD2 ARG P 6 7.513 -2.839 -32.388 1.00 0.00 H new ATOM 0 HD3 ARG P 6 6.840 -3.035 -30.782 1.00 0.00 H new ATOM 0 HE ARG P 6 5.003 -4.405 -32.230 1.00 0.00 H new ATOM 0 HH11 ARG P 6 8.512 -4.303 -32.255 1.00 0.00 H new ATOM 0 HH12 ARG P 6 8.687 -5.956 -32.852 1.00 0.00 H new ATOM 0 HH21 ARG P 6 5.250 -6.536 -33.026 1.00 0.00 H new ATOM 0 HH22 ARG P 6 6.866 -7.203 -33.282 1.00 0.00 H new ATOM 757 N ARG P 7 8.752 -0.305 -30.577 1.00 0.00 N ATOM 758 CA ARG P 7 10.184 -0.014 -30.511 1.00 0.00 C ATOM 759 C ARG P 7 10.622 1.076 -29.521 1.00 0.00 C ATOM 760 O ARG P 7 10.726 2.249 -29.875 1.00 0.00 O ATOM 761 CB ARG P 7 10.666 0.385 -31.904 1.00 0.00 C ATOM 762 CG ARG P 7 11.281 -0.833 -32.593 1.00 0.00 C ATOM 763 CD ARG P 7 12.484 -0.394 -33.428 1.00 0.00 C ATOM 764 NE ARG P 7 12.391 -0.964 -34.764 1.00 0.00 N ATOM 765 CZ ARG P 7 12.634 -2.249 -34.977 1.00 0.00 C ATOM 766 NH1 ARG P 7 12.963 -3.025 -33.980 1.00 0.00 N ATOM 767 NH2 ARG P 7 12.544 -2.740 -36.182 1.00 0.00 N ATOM 0 H ARG P 7 8.552 -1.304 -30.618 1.00 0.00 H new ATOM 0 HA ARG P 7 10.635 -0.934 -30.138 1.00 0.00 H new ATOM 0 HB2 ARG P 7 9.833 0.769 -32.493 1.00 0.00 H new ATOM 0 HB3 ARG P 7 11.401 1.186 -31.831 1.00 0.00 H new ATOM 0 HG2 ARG P 7 11.590 -1.567 -31.849 1.00 0.00 H new ATOM 0 HG3 ARG P 7 10.540 -1.316 -33.230 1.00 0.00 H new ATOM 0 HD2 ARG P 7 12.519 0.694 -33.488 1.00 0.00 H new ATOM 0 HD3 ARG P 7 13.408 -0.716 -32.949 1.00 0.00 H new ATOM 0 HE ARG P 7 12.135 -0.365 -35.549 1.00 0.00 H new ATOM 0 HH11 ARG P 7 13.033 -2.642 -33.037 1.00 0.00 H new ATOM 0 HH12 ARG P 7 13.150 -4.014 -34.144 1.00 0.00 H new ATOM 0 HH21 ARG P 7 12.286 -2.135 -36.961 1.00 0.00 H new ATOM 0 HH22 ARG P 7 12.731 -3.729 -36.345 1.00 0.00 H new ATOM 781 N GLN P 8 10.970 0.657 -28.308 1.00 0.00 N ATOM 782 CA GLN P 8 11.502 1.579 -27.312 1.00 0.00 C ATOM 783 C GLN P 8 12.523 0.872 -26.409 1.00 0.00 C ATOM 784 O GLN P 8 13.474 1.492 -25.936 1.00 0.00 O ATOM 785 CB GLN P 8 10.403 2.179 -26.451 1.00 0.00 C ATOM 786 CG GLN P 8 10.429 3.696 -26.613 1.00 0.00 C ATOM 787 CD GLN P 8 9.006 4.228 -26.546 1.00 0.00 C ATOM 788 OE1 GLN P 8 8.751 5.267 -25.940 1.00 0.00 O ATOM 789 NE2 GLN P 8 8.060 3.572 -27.150 1.00 0.00 N ATOM 0 H GLN P 8 10.894 -0.310 -27.993 1.00 0.00 H new ATOM 0 HA GLN P 8 11.991 2.386 -27.857 1.00 0.00 H new ATOM 0 HB2 GLN P 8 9.432 1.784 -26.748 1.00 0.00 H new ATOM 0 HB3 GLN P 8 10.551 1.908 -25.406 1.00 0.00 H new ATOM 0 HG2 GLN P 8 11.037 4.148 -25.829 1.00 0.00 H new ATOM 0 HG3 GLN P 8 10.886 3.965 -27.565 1.00 0.00 H new ATOM 0 HE21 GLN P 8 8.277 2.711 -27.651 1.00 0.00 H new ATOM 0 HE22 GLN P 8 7.101 3.919 -27.123 1.00 0.00 H new ATOM 798 N ASN P 9 12.329 -0.423 -26.169 1.00 0.00 N ATOM 799 CA ASN P 9 13.259 -1.163 -25.320 1.00 0.00 C ATOM 800 C ASN P 9 12.907 -2.657 -25.207 1.00 0.00 C ATOM 801 O ASN P 9 13.429 -3.348 -24.335 1.00 0.00 O ATOM 802 CB ASN P 9 13.256 -0.557 -23.915 1.00 0.00 C ATOM 803 CG ASN P 9 11.858 -0.029 -23.579 1.00 0.00 C ATOM 804 OD1 ASN P 9 11.698 1.145 -23.251 1.00 0.00 O ATOM 805 ND2 ASN P 9 10.828 -0.833 -23.643 1.00 0.00 N ATOM 0 H ASN P 9 11.554 -0.972 -26.541 1.00 0.00 H new ATOM 0 HA ASN P 9 14.242 -1.086 -25.785 1.00 0.00 H new ATOM 0 HB2 ASN P 9 13.556 -1.308 -23.185 1.00 0.00 H new ATOM 0 HB3 ASN P 9 13.984 0.252 -23.857 1.00 0.00 H new ATOM 0 HD21 ASN P 9 9.895 -0.485 -23.421 1.00 0.00 H new ATOM 0 HD22 ASN P 9 10.958 -1.807 -23.915 1.00 0.00 H new ATOM 812 N HIS P 10 12.035 -3.161 -26.075 1.00 0.00 N ATOM 813 CA HIS P 10 11.665 -4.564 -26.015 1.00 0.00 C ATOM 814 C HIS P 10 11.065 -4.892 -24.648 1.00 0.00 C ATOM 815 O HIS P 10 11.572 -4.463 -23.614 1.00 0.00 O ATOM 816 CB HIS P 10 12.899 -5.433 -26.251 1.00 0.00 C ATOM 817 CG HIS P 10 13.484 -5.115 -27.600 1.00 0.00 C ATOM 818 ND1 HIS P 10 13.135 -5.822 -28.743 1.00 0.00 N ATOM 819 CD2 HIS P 10 14.391 -4.166 -28.007 1.00 0.00 C ATOM 820 CE1 HIS P 10 13.822 -5.294 -29.774 1.00 0.00 C ATOM 821 NE2 HIS P 10 14.604 -4.280 -29.375 1.00 0.00 N ATOM 0 H HIS P 10 11.580 -2.627 -26.815 1.00 0.00 H new ATOM 0 HA HIS P 10 10.924 -4.766 -26.788 1.00 0.00 H new ATOM 0 HB2 HIS P 10 13.638 -5.254 -25.470 1.00 0.00 H new ATOM 0 HB3 HIS P 10 12.630 -6.488 -26.199 1.00 0.00 H new ATOM 0 HD2 HIS P 10 14.866 -3.442 -27.362 1.00 0.00 H new ATOM 0 HE1 HIS P 10 13.752 -5.643 -30.794 1.00 0.00 H new ATOM 0 HE2 HIS P 10 15.224 -3.713 -29.953 1.00 0.00 H new ATOM 830 N SER P 11 9.978 -5.644 -24.650 1.00 0.00 N ATOM 831 CA SER P 11 9.322 -6.003 -23.402 1.00 0.00 C ATOM 832 C SER P 11 9.758 -7.386 -22.924 1.00 0.00 C ATOM 833 O SER P 11 10.148 -8.240 -23.717 1.00 0.00 O ATOM 834 CB SER P 11 7.810 -6.002 -23.596 1.00 0.00 C ATOM 835 OG SER P 11 7.270 -4.788 -23.091 1.00 0.00 O ATOM 0 H SER P 11 9.534 -6.015 -25.490 1.00 0.00 H new ATOM 0 HA SER P 11 9.608 -5.267 -22.651 1.00 0.00 H new ATOM 0 HB2 SER P 11 7.568 -6.108 -24.653 1.00 0.00 H new ATOM 0 HB3 SER P 11 7.366 -6.853 -23.080 1.00 0.00 H new ATOM 0 HG SER P 11 6.292 -4.849 -23.069 1.00 0.00 H new ATOM 841 N CYS P 12 9.683 -7.593 -21.618 1.00 0.00 N ATOM 842 CA CYS P 12 10.064 -8.876 -21.038 1.00 0.00 C ATOM 843 C CYS P 12 8.851 -9.834 -21.000 1.00 0.00 C ATOM 844 O CYS P 12 7.719 -9.434 -21.313 1.00 0.00 O ATOM 845 CB CYS P 12 10.651 -8.671 -19.633 1.00 0.00 C ATOM 846 SG CYS P 12 9.374 -8.088 -18.508 1.00 0.00 S ATOM 0 H CYS P 12 9.365 -6.897 -20.943 1.00 0.00 H new ATOM 0 HA CYS P 12 10.832 -9.331 -21.664 1.00 0.00 H new ATOM 0 HB2 CYS P 12 11.070 -9.608 -19.265 1.00 0.00 H new ATOM 0 HB3 CYS P 12 11.468 -7.950 -19.673 1.00 0.00 H new ATOM 0 HG CYS P 12 8.824 -7.016 -18.995 1.00 0.00 H new ATOM 851 N ASP P 13 9.091 -11.108 -20.657 1.00 0.00 N ATOM 852 CA ASP P 13 8.006 -12.101 -20.644 1.00 0.00 C ATOM 853 C ASP P 13 6.731 -11.570 -19.976 1.00 0.00 C ATOM 854 O ASP P 13 5.637 -11.607 -20.555 1.00 0.00 O ATOM 855 CB ASP P 13 8.452 -13.372 -19.914 1.00 0.00 C ATOM 856 CG ASP P 13 7.439 -14.489 -20.174 1.00 0.00 C ATOM 857 OD1 ASP P 13 6.267 -14.178 -20.309 1.00 0.00 O ATOM 858 OD2 ASP P 13 7.852 -15.635 -20.234 1.00 0.00 O ATOM 0 H ASP P 13 10.006 -11.470 -20.390 1.00 0.00 H new ATOM 0 HA ASP P 13 7.778 -12.322 -21.687 1.00 0.00 H new ATOM 0 HB2 ASP P 13 9.441 -13.675 -20.259 1.00 0.00 H new ATOM 0 HB3 ASP P 13 8.533 -13.181 -18.844 1.00 0.00 H new ATOM 863 N PRO P 14 6.848 -11.075 -18.745 1.00 0.00 N ATOM 864 CA PRO P 14 5.702 -10.556 -17.990 1.00 0.00 C ATOM 865 C PRO P 14 5.156 -9.267 -18.594 1.00 0.00 C ATOM 866 O PRO P 14 3.981 -8.938 -18.429 1.00 0.00 O ATOM 867 CB PRO P 14 6.268 -10.359 -16.584 1.00 0.00 C ATOM 868 CG PRO P 14 7.746 -10.117 -16.813 1.00 0.00 C ATOM 869 CD PRO P 14 8.124 -10.958 -18.026 1.00 0.00 C ATOM 0 HA PRO P 14 4.844 -11.228 -18.000 1.00 0.00 H new ATOM 0 HB2 PRO P 14 5.799 -9.514 -16.080 1.00 0.00 H new ATOM 0 HB3 PRO P 14 6.099 -11.236 -15.960 1.00 0.00 H new ATOM 0 HG2 PRO P 14 7.946 -9.061 -16.993 1.00 0.00 H new ATOM 0 HG3 PRO P 14 8.329 -10.407 -15.939 1.00 0.00 H new ATOM 0 HD2 PRO P 14 8.888 -10.473 -18.633 1.00 0.00 H new ATOM 0 HD3 PRO P 14 8.517 -11.933 -17.737 1.00 0.00 H new ATOM 877 N CYS P 15 6.002 -8.555 -19.320 1.00 0.00 N ATOM 878 CA CYS P 15 5.555 -7.329 -19.962 1.00 0.00 C ATOM 879 C CYS P 15 4.530 -7.637 -21.039 1.00 0.00 C ATOM 880 O CYS P 15 3.422 -7.105 -21.039 1.00 0.00 O ATOM 881 CB CYS P 15 6.718 -6.615 -20.625 1.00 0.00 C ATOM 882 SG CYS P 15 7.122 -5.148 -19.671 1.00 0.00 S ATOM 0 H CYS P 15 6.980 -8.796 -19.478 1.00 0.00 H new ATOM 0 HA CYS P 15 5.117 -6.698 -19.189 1.00 0.00 H new ATOM 0 HB2 CYS P 15 7.582 -7.276 -20.683 1.00 0.00 H new ATOM 0 HB3 CYS P 15 6.458 -6.340 -21.647 1.00 0.00 H new ATOM 0 HG CYS P 15 6.451 -4.134 -20.130 1.00 0.00 H new ATOM 887 N ARG P 16 4.917 -8.492 -21.966 1.00 0.00 N ATOM 888 CA ARG P 16 4.025 -8.851 -23.057 1.00 0.00 C ATOM 889 C ARG P 16 2.733 -9.460 -22.518 1.00 0.00 C ATOM 890 O ARG P 16 1.683 -9.372 -23.153 1.00 0.00 O ATOM 891 CB ARG P 16 4.688 -9.881 -23.975 1.00 0.00 C ATOM 892 CG ARG P 16 6.115 -9.460 -24.313 1.00 0.00 C ATOM 893 CD ARG P 16 6.802 -10.611 -25.042 1.00 0.00 C ATOM 894 NE ARG P 16 7.903 -10.099 -25.834 1.00 0.00 N ATOM 895 CZ ARG P 16 9.141 -10.046 -25.348 1.00 0.00 C ATOM 896 NH1 ARG P 16 9.382 -10.447 -24.127 1.00 0.00 N ATOM 897 NH2 ARG P 16 10.124 -9.588 -26.085 1.00 0.00 N ATOM 0 H ARG P 16 5.830 -8.947 -21.989 1.00 0.00 H new ATOM 0 HA ARG P 16 3.804 -7.940 -23.613 1.00 0.00 H new ATOM 0 HB2 ARG P 16 4.696 -10.857 -23.489 1.00 0.00 H new ATOM 0 HB3 ARG P 16 4.107 -9.986 -24.892 1.00 0.00 H new ATOM 0 HG2 ARG P 16 6.108 -8.567 -24.938 1.00 0.00 H new ATOM 0 HG3 ARG P 16 6.661 -9.209 -23.404 1.00 0.00 H new ATOM 0 HD2 ARG P 16 7.168 -11.343 -24.322 1.00 0.00 H new ATOM 0 HD3 ARG P 16 6.087 -11.126 -25.684 1.00 0.00 H new ATOM 0 HE ARG P 16 7.725 -9.772 -26.784 1.00 0.00 H new ATOM 0 HH11 ARG P 16 8.621 -10.801 -23.547 1.00 0.00 H new ATOM 0 HH12 ARG P 16 10.331 -10.406 -23.755 1.00 0.00 H new ATOM 0 HH21 ARG P 16 9.942 -9.270 -27.037 1.00 0.00 H new ATOM 0 HH22 ARG P 16 11.070 -9.550 -25.706 1.00 0.00 H new ATOM 911 N LYS P 17 2.828 -10.102 -21.361 1.00 0.00 N ATOM 912 CA LYS P 17 1.665 -10.762 -20.768 1.00 0.00 C ATOM 913 C LYS P 17 0.760 -9.802 -19.982 1.00 0.00 C ATOM 914 O LYS P 17 -0.439 -10.042 -19.856 1.00 0.00 O ATOM 915 CB LYS P 17 2.137 -11.873 -19.830 1.00 0.00 C ATOM 916 CG LYS P 17 0.935 -12.454 -19.084 1.00 0.00 C ATOM 917 CD LYS P 17 0.822 -11.797 -17.707 1.00 0.00 C ATOM 918 CE LYS P 17 -0.574 -12.048 -17.133 1.00 0.00 C ATOM 919 NZ LYS P 17 -0.453 -12.626 -15.765 1.00 0.00 N ATOM 0 H LYS P 17 3.687 -10.181 -20.817 1.00 0.00 H new ATOM 0 HA LYS P 17 1.076 -11.162 -21.593 1.00 0.00 H new ATOM 0 HB2 LYS P 17 2.639 -12.656 -20.399 1.00 0.00 H new ATOM 0 HB3 LYS P 17 2.864 -11.480 -19.120 1.00 0.00 H new ATOM 0 HG2 LYS P 17 0.022 -12.284 -19.655 1.00 0.00 H new ATOM 0 HG3 LYS P 17 1.048 -13.533 -18.976 1.00 0.00 H new ATOM 0 HD2 LYS P 17 1.580 -12.201 -17.036 1.00 0.00 H new ATOM 0 HD3 LYS P 17 1.006 -10.726 -17.788 1.00 0.00 H new ATOM 0 HE2 LYS P 17 -1.137 -11.115 -17.097 1.00 0.00 H new ATOM 0 HE3 LYS P 17 -1.127 -12.729 -17.779 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 -1.402 -12.797 -15.375 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 0.068 -13.525 -15.813 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 0.059 -11.961 -15.151 1.00 0.00 H new ATOM 933 N GLY P 18 1.322 -8.730 -19.450 1.00 0.00 N ATOM 934 CA GLY P 18 0.527 -7.781 -18.683 1.00 0.00 C ATOM 935 C GLY P 18 0.210 -6.552 -19.511 1.00 0.00 C ATOM 936 O GLY P 18 -0.533 -5.680 -19.085 1.00 0.00 O ATOM 0 H GLY P 18 2.311 -8.495 -19.532 1.00 0.00 H new ATOM 0 HA2 GLY P 18 -0.399 -8.255 -18.358 1.00 0.00 H new ATOM 0 HA3 GLY P 18 1.069 -7.489 -17.783 1.00 0.00 H new ATOM 940 N LYS P 19 0.776 -6.501 -20.696 1.00 0.00 N ATOM 941 CA LYS P 19 0.566 -5.397 -21.590 1.00 0.00 C ATOM 942 C LYS P 19 1.186 -4.124 -21.045 1.00 0.00 C ATOM 943 O LYS P 19 0.496 -3.146 -20.785 1.00 0.00 O ATOM 944 CB LYS P 19 -0.921 -5.194 -21.815 1.00 0.00 C ATOM 945 CG LYS P 19 -1.266 -5.787 -23.170 1.00 0.00 C ATOM 946 CD LYS P 19 -2.752 -5.578 -23.471 1.00 0.00 C ATOM 947 CE LYS P 19 -3.011 -5.822 -24.959 1.00 0.00 C ATOM 948 NZ LYS P 19 -3.502 -4.564 -25.591 1.00 0.00 N ATOM 0 H LYS P 19 1.393 -7.226 -21.062 1.00 0.00 H new ATOM 0 HA LYS P 19 1.050 -5.629 -22.539 1.00 0.00 H new ATOM 0 HB2 LYS P 19 -1.497 -5.679 -21.027 1.00 0.00 H new ATOM 0 HB3 LYS P 19 -1.171 -4.134 -21.786 1.00 0.00 H new ATOM 0 HG2 LYS P 19 -0.660 -5.319 -23.946 1.00 0.00 H new ATOM 0 HG3 LYS P 19 -1.031 -6.851 -23.181 1.00 0.00 H new ATOM 0 HD2 LYS P 19 -3.355 -6.259 -22.870 1.00 0.00 H new ATOM 0 HD3 LYS P 19 -3.050 -4.565 -23.201 1.00 0.00 H new ATOM 0 HE2 LYS P 19 -2.096 -6.154 -25.449 1.00 0.00 H new ATOM 0 HE3 LYS P 19 -3.747 -6.616 -25.086 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 -3.678 -4.729 -26.603 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 -4.385 -4.266 -25.130 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 -2.786 -3.818 -25.482 1.00 0.00 H new ATOM 962 N ARG P 20 2.494 -4.124 -20.869 1.00 0.00 N ATOM 963 CA ARG P 20 3.128 -2.928 -20.371 1.00 0.00 C ATOM 964 C ARG P 20 4.541 -2.738 -20.919 1.00 0.00 C ATOM 965 O ARG P 20 5.236 -3.694 -21.258 1.00 0.00 O ATOM 966 CB ARG P 20 3.154 -2.939 -18.845 1.00 0.00 C ATOM 967 CG ARG P 20 1.926 -2.208 -18.311 1.00 0.00 C ATOM 968 CD ARG P 20 1.715 -0.924 -19.109 1.00 0.00 C ATOM 969 NE ARG P 20 1.674 0.209 -18.213 1.00 0.00 N ATOM 970 CZ ARG P 20 2.781 0.846 -17.854 1.00 0.00 C ATOM 971 NH1 ARG P 20 3.946 0.429 -18.270 1.00 0.00 N ATOM 972 NH2 ARG P 20 2.702 1.891 -17.080 1.00 0.00 N ATOM 0 H ARG P 20 3.116 -4.910 -21.057 1.00 0.00 H new ATOM 0 HA ARG P 20 2.533 -2.085 -20.721 1.00 0.00 H new ATOM 0 HB2 ARG P 20 3.168 -3.965 -18.478 1.00 0.00 H new ATOM 0 HB3 ARG P 20 4.063 -2.459 -18.482 1.00 0.00 H new ATOM 0 HG2 ARG P 20 1.046 -2.847 -18.389 1.00 0.00 H new ATOM 0 HG3 ARG P 20 2.058 -1.975 -17.254 1.00 0.00 H new ATOM 0 HD2 ARG P 20 2.521 -0.798 -19.832 1.00 0.00 H new ATOM 0 HD3 ARG P 20 0.785 -0.985 -19.675 1.00 0.00 H new ATOM 0 HE ARG P 20 0.775 0.526 -17.849 1.00 0.00 H new ATOM 0 HH11 ARG P 20 4.008 -0.390 -18.874 1.00 0.00 H new ATOM 0 HH12 ARG P 20 4.794 0.923 -17.991 1.00 0.00 H new ATOM 0 HH21 ARG P 20 1.792 2.216 -16.753 1.00 0.00 H new ATOM 0 HH22 ARG P 20 3.550 2.384 -16.801 1.00 0.00 H new ATOM 986 N ARG P 21 4.947 -1.476 -20.991 1.00 0.00 N ATOM 987 CA ARG P 21 6.267 -1.127 -21.484 1.00 0.00 C ATOM 988 C ARG P 21 7.335 -1.790 -20.623 1.00 0.00 C ATOM 989 O ARG P 21 7.033 -2.353 -19.574 1.00 0.00 O ATOM 990 CB ARG P 21 6.442 0.387 -21.434 1.00 0.00 C ATOM 991 CG ARG P 21 5.820 0.936 -20.146 1.00 0.00 C ATOM 992 CD ARG P 21 6.313 2.363 -19.925 1.00 0.00 C ATOM 993 NE ARG P 21 6.878 2.864 -21.167 1.00 0.00 N ATOM 994 CZ ARG P 21 7.948 3.654 -21.173 1.00 0.00 C ATOM 995 NH1 ARG P 21 8.478 4.063 -20.050 1.00 0.00 N ATOM 996 NH2 ARG P 21 8.465 4.036 -22.306 1.00 0.00 N ATOM 0 H ARG P 21 4.377 -0.678 -20.712 1.00 0.00 H new ATOM 0 HA ARG P 21 6.370 -1.475 -22.512 1.00 0.00 H new ATOM 0 HB2 ARG P 21 7.501 0.642 -21.475 1.00 0.00 H new ATOM 0 HB3 ARG P 21 5.969 0.846 -22.302 1.00 0.00 H new ATOM 0 HG2 ARG P 21 4.732 0.920 -20.217 1.00 0.00 H new ATOM 0 HG3 ARG P 21 6.093 0.308 -19.298 1.00 0.00 H new ATOM 0 HD2 ARG P 21 5.490 3.000 -19.601 1.00 0.00 H new ATOM 0 HD3 ARG P 21 7.063 2.384 -19.134 1.00 0.00 H new ATOM 0 HE ARG P 21 6.445 2.604 -22.053 1.00 0.00 H new ATOM 0 HH11 ARG P 21 8.071 3.776 -19.160 1.00 0.00 H new ATOM 0 HH12 ARG P 21 9.299 4.669 -20.064 1.00 0.00 H new ATOM 0 HH21 ARG P 21 8.049 3.729 -23.185 1.00 0.00 H new ATOM 0 HH22 ARG P 21 9.286 4.642 -22.314 1.00 0.00 H new ATOM 1010 N CYS P 22 8.577 -1.764 -21.079 1.00 0.00 N ATOM 1011 CA CYS P 22 9.624 -2.414 -20.336 1.00 0.00 C ATOM 1012 C CYS P 22 10.925 -1.623 -20.313 1.00 0.00 C ATOM 1013 O CYS P 22 11.372 -1.080 -21.321 1.00 0.00 O ATOM 1014 CB CYS P 22 9.861 -3.753 -20.994 1.00 0.00 C ATOM 1015 SG CYS P 22 10.909 -4.791 -19.979 1.00 0.00 S ATOM 0 H CYS P 22 8.873 -1.308 -21.942 1.00 0.00 H new ATOM 0 HA CYS P 22 9.309 -2.508 -19.297 1.00 0.00 H new ATOM 0 HB2 CYS P 22 8.907 -4.251 -21.166 1.00 0.00 H new ATOM 0 HB3 CYS P 22 10.324 -3.606 -21.970 1.00 0.00 H new ATOM 0 HG CYS P 22 10.219 -5.796 -19.529 1.00 0.00 H new ATOM 1020 N ASP P 23 11.538 -1.614 -19.146 1.00 0.00 N ATOM 1021 CA ASP P 23 12.809 -0.953 -18.957 1.00 0.00 C ATOM 1022 C ASP P 23 13.891 -1.852 -19.530 1.00 0.00 C ATOM 1023 O ASP P 23 14.808 -1.408 -20.221 1.00 0.00 O ATOM 1024 CB ASP P 23 13.062 -0.771 -17.465 1.00 0.00 C ATOM 1025 CG ASP P 23 11.903 0.008 -16.843 1.00 0.00 C ATOM 1026 OD1 ASP P 23 10.769 -0.373 -17.080 1.00 0.00 O ATOM 1027 OD2 ASP P 23 12.170 0.970 -16.142 1.00 0.00 O ATOM 0 H ASP P 23 11.169 -2.063 -18.307 1.00 0.00 H new ATOM 0 HA ASP P 23 12.810 0.019 -19.449 1.00 0.00 H new ATOM 0 HB2 ASP P 23 13.162 -1.743 -16.981 1.00 0.00 H new ATOM 0 HB3 ASP P 23 13.999 -0.238 -17.307 1.00 0.00 H new ATOM 1032 N ALA P 24 13.742 -3.133 -19.247 1.00 0.00 N ATOM 1033 CA ALA P 24 14.665 -4.131 -19.736 1.00 0.00 C ATOM 1034 C ALA P 24 14.969 -3.853 -21.204 1.00 0.00 C ATOM 1035 O ALA P 24 14.079 -3.862 -22.052 1.00 0.00 O ATOM 1036 CB ALA P 24 14.034 -5.515 -19.597 1.00 0.00 C ATOM 0 H ALA P 24 12.983 -3.505 -18.676 1.00 0.00 H new ATOM 0 HA ALA P 24 15.589 -4.095 -19.158 1.00 0.00 H new ATOM 0 HB1 ALA P 24 14.728 -6.270 -19.965 1.00 0.00 H new ATOM 0 HB2 ALA P 24 13.810 -5.709 -18.548 1.00 0.00 H new ATOM 0 HB3 ALA P 24 13.113 -5.555 -20.178 1.00 0.00 H new ATOM 1042 N PRO P 25 16.235 -3.580 -21.515 1.00 0.00 N ATOM 1043 CA PRO P 25 16.679 -3.267 -22.871 1.00 0.00 C ATOM 1044 C PRO P 25 17.074 -4.512 -23.665 1.00 0.00 C ATOM 1045 O PRO P 25 16.763 -5.637 -23.277 1.00 0.00 O ATOM 1046 CB PRO P 25 17.887 -2.369 -22.623 1.00 0.00 C ATOM 1047 CG PRO P 25 18.451 -2.842 -21.285 1.00 0.00 C ATOM 1048 CD PRO P 25 17.326 -3.565 -20.537 1.00 0.00 C ATOM 0 HA PRO P 25 15.895 -2.805 -23.471 1.00 0.00 H new ATOM 0 HB2 PRO P 25 18.624 -2.467 -23.420 1.00 0.00 H new ATOM 0 HB3 PRO P 25 17.598 -1.319 -22.582 1.00 0.00 H new ATOM 0 HG2 PRO P 25 19.298 -3.510 -21.441 1.00 0.00 H new ATOM 0 HG3 PRO P 25 18.816 -1.996 -20.703 1.00 0.00 H new ATOM 0 HD2 PRO P 25 17.619 -4.573 -20.244 1.00 0.00 H new ATOM 0 HD3 PRO P 25 17.044 -3.038 -19.626 1.00 0.00 H new ATOM 1056 N GLU P 26 17.763 -4.300 -24.774 1.00 0.00 N ATOM 1057 CA GLU P 26 18.196 -5.409 -25.606 1.00 0.00 C ATOM 1058 C GLU P 26 19.266 -6.229 -24.884 1.00 0.00 C ATOM 1059 O GLU P 26 19.724 -7.253 -25.387 1.00 0.00 O ATOM 1060 CB GLU P 26 18.768 -4.877 -26.921 1.00 0.00 C ATOM 1061 CG GLU P 26 17.643 -4.742 -27.950 1.00 0.00 C ATOM 1062 CD GLU P 26 17.795 -5.827 -29.018 1.00 0.00 C ATOM 1063 OE1 GLU P 26 18.550 -5.609 -29.952 1.00 0.00 O ATOM 1064 OE2 GLU P 26 17.153 -6.856 -28.886 1.00 0.00 O ATOM 0 H GLU P 26 18.033 -3.378 -25.117 1.00 0.00 H new ATOM 0 HA GLU P 26 17.336 -6.047 -25.811 1.00 0.00 H new ATOM 0 HB2 GLU P 26 19.244 -3.910 -26.758 1.00 0.00 H new ATOM 0 HB3 GLU P 26 19.538 -5.552 -27.295 1.00 0.00 H new ATOM 0 HG2 GLU P 26 16.674 -4.833 -27.459 1.00 0.00 H new ATOM 0 HG3 GLU P 26 17.675 -3.755 -28.412 1.00 0.00 H new ATOM 1071 N ASN P 27 19.662 -5.773 -23.701 1.00 0.00 N ATOM 1072 CA ASN P 27 20.673 -6.481 -22.936 1.00 0.00 C ATOM 1073 C ASN P 27 20.222 -6.673 -21.489 1.00 0.00 C ATOM 1074 O ASN P 27 21.042 -6.840 -20.586 1.00 0.00 O ATOM 1075 CB ASN P 27 21.985 -5.696 -22.959 1.00 0.00 C ATOM 1076 CG ASN P 27 21.833 -4.421 -22.135 1.00 0.00 C ATOM 1077 OD1 ASN P 27 22.171 -4.394 -20.953 1.00 0.00 O ATOM 1078 ND2 ASN P 27 21.339 -3.355 -22.695 1.00 0.00 N ATOM 0 H ASN P 27 19.302 -4.927 -23.258 1.00 0.00 H new ATOM 0 HA ASN P 27 20.822 -7.461 -23.390 1.00 0.00 H new ATOM 0 HB2 ASN P 27 22.793 -6.307 -22.557 1.00 0.00 H new ATOM 0 HB3 ASN P 27 22.254 -5.448 -23.986 1.00 0.00 H new ATOM 0 HD21 ASN P 27 21.232 -2.497 -22.153 1.00 0.00 H new ATOM 0 HD22 ASN P 27 21.059 -3.377 -23.675 1.00 0.00 H new ATOM 1085 N ARG P 28 18.916 -6.667 -21.275 1.00 0.00 N ATOM 1086 CA ARG P 28 18.393 -6.861 -19.933 1.00 0.00 C ATOM 1087 C ARG P 28 19.082 -8.064 -19.306 1.00 0.00 C ATOM 1088 O ARG P 28 19.330 -8.110 -18.105 1.00 0.00 O ATOM 1089 CB ARG P 28 16.886 -7.104 -19.972 1.00 0.00 C ATOM 1090 CG ARG P 28 16.341 -7.101 -18.540 1.00 0.00 C ATOM 1091 CD ARG P 28 15.201 -8.116 -18.421 1.00 0.00 C ATOM 1092 NE ARG P 28 15.675 -9.416 -18.860 1.00 0.00 N ATOM 1093 CZ ARG P 28 16.193 -10.292 -18.005 1.00 0.00 C ATOM 1094 NH1 ARG P 28 16.198 -10.046 -16.723 1.00 0.00 N ATOM 1095 NH2 ARG P 28 16.689 -11.415 -18.447 1.00 0.00 N ATOM 0 H ARG P 28 18.210 -6.533 -21.999 1.00 0.00 H new ATOM 0 HA ARG P 28 18.584 -5.964 -19.343 1.00 0.00 H new ATOM 0 HB2 ARG P 28 16.395 -6.330 -20.563 1.00 0.00 H new ATOM 0 HB3 ARG P 28 16.671 -8.058 -20.454 1.00 0.00 H new ATOM 0 HG2 ARG P 28 17.136 -7.349 -17.837 1.00 0.00 H new ATOM 0 HG3 ARG P 28 15.983 -6.105 -18.279 1.00 0.00 H new ATOM 0 HD2 ARG P 28 14.853 -8.171 -17.390 1.00 0.00 H new ATOM 0 HD3 ARG P 28 14.352 -7.801 -19.028 1.00 0.00 H new ATOM 0 HE ARG P 28 15.609 -9.663 -19.847 1.00 0.00 H new ATOM 0 HH11 ARG P 28 15.802 -9.175 -16.369 1.00 0.00 H new ATOM 0 HH12 ARG P 28 16.598 -10.725 -16.075 1.00 0.00 H new ATOM 0 HH21 ARG P 28 16.679 -11.619 -19.446 1.00 0.00 H new ATOM 0 HH22 ARG P 28 17.087 -12.089 -17.793 1.00 0.00 H new ATOM 1109 N ASN P 29 19.412 -9.028 -20.147 1.00 0.00 N ATOM 1110 CA ASN P 29 20.105 -10.217 -19.683 1.00 0.00 C ATOM 1111 C ASN P 29 21.458 -9.799 -19.113 1.00 0.00 C ATOM 1112 O ASN P 29 21.774 -10.039 -17.944 1.00 0.00 O ATOM 1113 CB ASN P 29 20.322 -11.187 -20.847 1.00 0.00 C ATOM 1114 CG ASN P 29 19.072 -11.220 -21.727 1.00 0.00 C ATOM 1115 OD1 ASN P 29 18.146 -11.988 -21.471 1.00 0.00 O ATOM 1116 ND2 ASN P 29 18.993 -10.424 -22.759 1.00 0.00 N ATOM 0 H ASN P 29 19.213 -9.012 -21.147 1.00 0.00 H new ATOM 0 HA ASN P 29 19.508 -10.714 -18.918 1.00 0.00 H new ATOM 0 HB2 ASN P 29 21.185 -10.877 -21.436 1.00 0.00 H new ATOM 0 HB3 ASN P 29 20.538 -12.185 -20.466 1.00 0.00 H new ATOM 0 HD21 ASN P 29 18.164 -10.439 -23.353 1.00 0.00 H new ATOM 0 HD22 ASN P 29 19.761 -9.787 -22.972 1.00 0.00 H new ATOM 1123 N GLU P 30 22.238 -9.133 -19.948 1.00 0.00 N ATOM 1124 CA GLU P 30 23.534 -8.644 -19.526 1.00 0.00 C ATOM 1125 C GLU P 30 23.349 -7.638 -18.391 1.00 0.00 C ATOM 1126 O GLU P 30 24.304 -7.263 -17.712 1.00 0.00 O ATOM 1127 CB GLU P 30 24.244 -7.965 -20.699 1.00 0.00 C ATOM 1128 CG GLU P 30 25.592 -7.413 -20.231 1.00 0.00 C ATOM 1129 CD GLU P 30 26.691 -7.861 -21.196 1.00 0.00 C ATOM 1130 OE1 GLU P 30 26.831 -7.235 -22.234 1.00 0.00 O ATOM 1131 OE2 GLU P 30 27.373 -8.822 -20.882 1.00 0.00 O ATOM 0 H GLU P 30 21.996 -8.921 -20.916 1.00 0.00 H new ATOM 0 HA GLU P 30 24.139 -9.482 -19.180 1.00 0.00 H new ATOM 0 HB2 GLU P 30 24.393 -8.678 -21.510 1.00 0.00 H new ATOM 0 HB3 GLU P 30 23.626 -7.158 -21.094 1.00 0.00 H new ATOM 0 HG2 GLU P 30 25.555 -6.325 -20.186 1.00 0.00 H new ATOM 0 HG3 GLU P 30 25.812 -7.767 -19.224 1.00 0.00 H new ATOM 1138 N ALA P 31 22.104 -7.225 -18.172 1.00 0.00 N ATOM 1139 CA ALA P 31 21.816 -6.294 -17.104 1.00 0.00 C ATOM 1140 C ALA P 31 21.797 -7.067 -15.799 1.00 0.00 C ATOM 1141 O ALA P 31 22.455 -6.706 -14.832 1.00 0.00 O ATOM 1142 CB ALA P 31 20.467 -5.621 -17.330 1.00 0.00 C ATOM 0 H ALA P 31 21.293 -7.520 -18.716 1.00 0.00 H new ATOM 0 HA ALA P 31 22.579 -5.516 -17.075 1.00 0.00 H new ATOM 0 HB1 ALA P 31 20.267 -4.924 -16.516 1.00 0.00 H new ATOM 0 HB2 ALA P 31 20.484 -5.079 -18.276 1.00 0.00 H new ATOM 0 HB3 ALA P 31 19.683 -6.378 -17.360 1.00 0.00 H new ATOM 1148 N ASN P 32 21.078 -8.170 -15.792 1.00 0.00 N ATOM 1149 CA ASN P 32 21.052 -9.000 -14.615 1.00 0.00 C ATOM 1150 C ASN P 32 22.483 -9.436 -14.337 1.00 0.00 C ATOM 1151 O ASN P 32 22.876 -9.665 -13.194 1.00 0.00 O ATOM 1152 CB ASN P 32 20.147 -10.205 -14.831 1.00 0.00 C ATOM 1153 CG ASN P 32 20.716 -11.112 -15.913 1.00 0.00 C ATOM 1154 OD1 ASN P 32 21.825 -11.630 -15.793 1.00 0.00 O ATOM 1155 ND2 ASN P 32 19.998 -11.327 -16.972 1.00 0.00 N ATOM 0 H ASN P 32 20.515 -8.505 -16.574 1.00 0.00 H new ATOM 0 HA ASN P 32 20.653 -8.449 -13.763 1.00 0.00 H new ATOM 0 HB2 ASN P 32 20.044 -10.761 -13.899 1.00 0.00 H new ATOM 0 HB3 ASN P 32 19.149 -9.871 -15.116 1.00 0.00 H new ATOM 0 HD21 ASN P 32 20.352 -11.930 -17.714 1.00 0.00 H new ATOM 0 HD22 ASN P 32 19.079 -10.893 -17.062 1.00 0.00 H new ATOM 1162 N GLU P 33 23.271 -9.496 -15.407 1.00 0.00 N ATOM 1163 CA GLU P 33 24.675 -9.843 -15.286 1.00 0.00 C ATOM 1164 C GLU P 33 25.420 -8.664 -14.653 1.00 0.00 C ATOM 1165 O GLU P 33 26.332 -8.844 -13.847 1.00 0.00 O ATOM 1166 CB GLU P 33 25.264 -10.137 -16.667 1.00 0.00 C ATOM 1167 CG GLU P 33 26.627 -10.814 -16.507 1.00 0.00 C ATOM 1168 CD GLU P 33 26.449 -12.333 -16.529 1.00 0.00 C ATOM 1169 OE1 GLU P 33 26.162 -12.891 -15.483 1.00 0.00 O ATOM 1170 OE2 GLU P 33 26.603 -12.912 -17.592 1.00 0.00 O ATOM 0 H GLU P 33 22.959 -9.309 -16.360 1.00 0.00 H new ATOM 0 HA GLU P 33 24.779 -10.731 -14.663 1.00 0.00 H new ATOM 0 HB2 GLU P 33 24.590 -10.781 -17.232 1.00 0.00 H new ATOM 0 HB3 GLU P 33 25.370 -9.212 -17.233 1.00 0.00 H new ATOM 0 HG2 GLU P 33 27.295 -10.504 -17.310 1.00 0.00 H new ATOM 0 HG3 GLU P 33 27.090 -10.505 -15.570 1.00 0.00 H new ATOM 1177 N ASN P 34 24.990 -7.453 -15.001 1.00 0.00 N ATOM 1178 CA ASN P 34 25.575 -6.251 -14.448 1.00 0.00 C ATOM 1179 C ASN P 34 24.614 -5.702 -13.392 1.00 0.00 C ATOM 1180 O ASN P 34 24.639 -4.531 -13.015 1.00 0.00 O ATOM 1181 CB ASN P 34 25.804 -5.240 -15.571 1.00 0.00 C ATOM 1182 CG ASN P 34 24.916 -4.020 -15.384 1.00 0.00 C ATOM 1183 OD1 ASN P 34 25.401 -2.900 -15.234 1.00 0.00 O ATOM 1184 ND2 ASN P 34 23.634 -4.181 -15.385 1.00 0.00 N ATOM 0 H ASN P 34 24.235 -7.286 -15.667 1.00 0.00 H new ATOM 0 HA ASN P 34 26.539 -6.458 -13.982 1.00 0.00 H new ATOM 0 HB2 ASN P 34 26.851 -4.936 -15.585 1.00 0.00 H new ATOM 0 HB3 ASN P 34 25.594 -5.705 -16.534 1.00 0.00 H new ATOM 0 HD21 ASN P 34 23.019 -3.377 -15.261 1.00 0.00 H new ATOM 0 HD22 ASN P 34 23.237 -5.112 -15.510 1.00 0.00 H new ATOM 1191 N GLY P 35 23.768 -6.603 -12.926 1.00 0.00 N ATOM 1192 CA GLY P 35 22.766 -6.299 -11.922 1.00 0.00 C ATOM 1193 C GLY P 35 21.617 -5.446 -12.465 1.00 0.00 C ATOM 1194 O GLY P 35 21.677 -4.218 -12.482 1.00 0.00 O ATOM 0 H GLY P 35 23.758 -7.574 -13.237 1.00 0.00 H new ATOM 0 HA2 GLY P 35 22.363 -7.231 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY P 35 23.239 -5.776 -11.091 1.00 0.00 H new ATOM 1198 N TRP P 36 20.557 -6.134 -12.882 1.00 0.00 N ATOM 1199 CA TRP P 36 19.363 -5.485 -13.398 1.00 0.00 C ATOM 1200 C TRP P 36 18.346 -5.362 -12.251 1.00 0.00 C ATOM 1201 O TRP P 36 18.589 -4.626 -11.298 1.00 0.00 O ATOM 1202 CB TRP P 36 18.803 -6.331 -14.551 1.00 0.00 C ATOM 1203 CG TRP P 36 17.452 -5.843 -14.967 1.00 0.00 C ATOM 1204 CD1 TRP P 36 16.552 -6.571 -15.667 1.00 0.00 C ATOM 1205 CD2 TRP P 36 16.821 -4.559 -14.712 1.00 0.00 C ATOM 1206 NE1 TRP P 36 15.417 -5.818 -15.853 1.00 0.00 N ATOM 1207 CE2 TRP P 36 15.533 -4.575 -15.290 1.00 0.00 C ATOM 1208 CE3 TRP P 36 17.225 -3.394 -14.050 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 14.677 -3.489 -15.216 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 16.359 -2.288 -13.969 1.00 0.00 C ATOM 1211 CH2 TRP P 36 15.087 -2.338 -14.554 1.00 0.00 C ATOM 0 H TRP P 36 20.505 -7.153 -12.870 1.00 0.00 H new ATOM 0 HA TRP P 36 19.585 -4.488 -13.778 1.00 0.00 H new ATOM 0 HB2 TRP P 36 19.485 -6.292 -15.400 1.00 0.00 H new ATOM 0 HB3 TRP P 36 18.738 -7.374 -14.243 1.00 0.00 H new ATOM 0 HD1 TRP P 36 16.701 -7.580 -16.022 1.00 0.00 H new ATOM 0 HE1 TRP P 36 14.589 -6.145 -16.350 1.00 0.00 H new ATOM 0 HE3 TRP P 36 18.205 -3.344 -13.600 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 13.698 -3.536 -15.669 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 16.677 -1.394 -13.452 1.00 0.00 H new ATOM 0 HH2 TRP P 36 14.427 -1.485 -14.491 1.00 0.00 H new ATOM 1222 N VAL P 37 17.239 -6.105 -12.322 1.00 0.00 N ATOM 1223 CA VAL P 37 16.230 -6.086 -11.258 1.00 0.00 C ATOM 1224 C VAL P 37 14.837 -6.390 -11.833 1.00 0.00 C ATOM 1225 O VAL P 37 14.556 -7.529 -12.201 1.00 0.00 O ATOM 1226 CB VAL P 37 16.231 -4.737 -10.520 1.00 0.00 C ATOM 1227 CG1 VAL P 37 16.168 -3.586 -11.525 1.00 0.00 C ATOM 1228 CG2 VAL P 37 15.027 -4.669 -9.572 1.00 0.00 C ATOM 0 H VAL P 37 17.018 -6.725 -13.101 1.00 0.00 H new ATOM 0 HA VAL P 37 16.483 -6.863 -10.536 1.00 0.00 H new ATOM 0 HB VAL P 37 17.151 -4.648 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL P 37 16.169 -2.636 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL P 37 17.034 -3.632 -12.186 1.00 0.00 H new ATOM 0 HG13 VAL P 37 15.256 -3.669 -12.116 1.00 0.00 H new ATOM 0 HG21 VAL P 37 15.029 -3.712 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL P 37 14.106 -4.767 -10.146 1.00 0.00 H new ATOM 0 HG23 VAL P 37 15.090 -5.479 -8.846 1.00 0.00 H new ATOM 1238 N SER P 38 13.966 -5.390 -11.913 1.00 0.00 N ATOM 1239 CA SER P 38 12.636 -5.615 -12.445 1.00 0.00 C ATOM 1240 C SER P 38 12.142 -4.393 -13.219 1.00 0.00 C ATOM 1241 O SER P 38 11.997 -3.303 -12.669 1.00 0.00 O ATOM 1242 CB SER P 38 11.666 -5.915 -11.305 1.00 0.00 C ATOM 1243 OG SER P 38 12.024 -5.145 -10.165 1.00 0.00 O ATOM 0 H SER P 38 14.156 -4.432 -11.620 1.00 0.00 H new ATOM 0 HA SER P 38 12.682 -6.465 -13.126 1.00 0.00 H new ATOM 0 HB2 SER P 38 10.646 -5.681 -11.610 1.00 0.00 H new ATOM 0 HB3 SER P 38 11.690 -6.977 -11.062 1.00 0.00 H new ATOM 0 HG SER P 38 11.401 -5.335 -9.433 1.00 0.00 H new ATOM 1249 N CYS P 39 11.891 -4.601 -14.499 1.00 0.00 N ATOM 1250 CA CYS P 39 11.408 -3.555 -15.380 1.00 0.00 C ATOM 1251 C CYS P 39 10.197 -2.852 -14.786 1.00 0.00 C ATOM 1252 O CYS P 39 9.996 -2.863 -13.582 1.00 0.00 O ATOM 1253 CB CYS P 39 11.024 -4.177 -16.707 1.00 0.00 C ATOM 1254 SG CYS P 39 9.561 -5.215 -16.497 1.00 0.00 S ATOM 0 H CYS P 39 12.017 -5.503 -14.957 1.00 0.00 H new ATOM 0 HA CYS P 39 12.198 -2.817 -15.515 1.00 0.00 H new ATOM 0 HB2 CYS P 39 10.825 -3.396 -17.441 1.00 0.00 H new ATOM 0 HB3 CYS P 39 11.851 -4.773 -17.093 1.00 0.00 H new ATOM 0 HG CYS P 39 9.631 -6.232 -17.303 1.00 0.00 H new ATOM 1259 N SER P 40 9.385 -2.235 -15.626 1.00 0.00 N ATOM 1260 CA SER P 40 8.225 -1.535 -15.104 1.00 0.00 C ATOM 1261 C SER P 40 7.190 -2.530 -14.572 1.00 0.00 C ATOM 1262 O SER P 40 6.503 -2.300 -13.573 1.00 0.00 O ATOM 1263 CB SER P 40 7.599 -0.700 -16.219 1.00 0.00 C ATOM 1264 OG SER P 40 8.575 0.188 -16.748 1.00 0.00 O ATOM 0 H SER P 40 9.500 -2.203 -16.639 1.00 0.00 H new ATOM 0 HA SER P 40 8.542 -0.889 -14.285 1.00 0.00 H new ATOM 0 HB2 SER P 40 7.219 -1.351 -17.006 1.00 0.00 H new ATOM 0 HB3 SER P 40 6.749 -0.136 -15.833 1.00 0.00 H new ATOM 0 HG SER P 40 9.471 -0.148 -16.537 1.00 0.00 H new ATOM 1270 N ASN P 41 7.106 -3.636 -15.261 1.00 0.00 N ATOM 1271 CA ASN P 41 6.174 -4.690 -14.929 1.00 0.00 C ATOM 1272 C ASN P 41 6.647 -5.461 -13.719 1.00 0.00 C ATOM 1273 O ASN P 41 6.137 -5.283 -12.619 1.00 0.00 O ATOM 1274 CB ASN P 41 6.056 -5.631 -16.121 1.00 0.00 C ATOM 1275 CG ASN P 41 5.426 -4.884 -17.300 1.00 0.00 C ATOM 1276 OD1 ASN P 41 4.435 -5.340 -17.861 1.00 0.00 O ATOM 1277 ND2 ASN P 41 5.949 -3.752 -17.711 1.00 0.00 N ATOM 0 H ASN P 41 7.685 -3.837 -16.076 1.00 0.00 H new ATOM 0 HA ASN P 41 5.204 -4.250 -14.696 1.00 0.00 H new ATOM 0 HB2 ASN P 41 7.040 -6.008 -16.399 1.00 0.00 H new ATOM 0 HB3 ASN P 41 5.447 -6.495 -15.857 1.00 0.00 H new ATOM 0 HD21 ASN P 41 5.531 -3.253 -18.496 1.00 0.00 H new ATOM 0 HD22 ASN P 41 6.773 -3.372 -17.245 1.00 0.00 H new ATOM 1284 N CYS P 42 7.627 -6.311 -13.922 1.00 0.00 N ATOM 1285 CA CYS P 42 8.146 -7.085 -12.824 1.00 0.00 C ATOM 1286 C CYS P 42 8.242 -6.217 -11.582 1.00 0.00 C ATOM 1287 O CYS P 42 8.167 -6.718 -10.465 1.00 0.00 O ATOM 1288 CB CYS P 42 9.520 -7.633 -13.178 1.00 0.00 C ATOM 1289 SG CYS P 42 9.358 -8.686 -14.632 1.00 0.00 S ATOM 0 H CYS P 42 8.074 -6.481 -14.823 1.00 0.00 H new ATOM 0 HA CYS P 42 7.471 -7.918 -12.627 1.00 0.00 H new ATOM 0 HB2 CYS P 42 10.214 -6.816 -13.377 1.00 0.00 H new ATOM 0 HB3 CYS P 42 9.928 -8.201 -12.342 1.00 0.00 H new ATOM 0 HG CYS P 42 9.434 -7.958 -15.706 1.00 0.00 H new ATOM 1294 N LYS P 43 8.412 -4.915 -11.776 1.00 0.00 N ATOM 1295 CA LYS P 43 8.523 -4.025 -10.647 1.00 0.00 C ATOM 1296 C LYS P 43 7.170 -3.788 -9.958 1.00 0.00 C ATOM 1297 O LYS P 43 7.090 -3.914 -8.747 1.00 0.00 O ATOM 1298 CB LYS P 43 9.190 -2.710 -11.071 1.00 0.00 C ATOM 1299 CG LYS P 43 8.215 -1.773 -11.780 1.00 0.00 C ATOM 1300 CD LYS P 43 8.295 -0.383 -11.143 1.00 0.00 C ATOM 1301 CE LYS P 43 8.243 0.688 -12.233 1.00 0.00 C ATOM 1302 NZ LYS P 43 8.687 1.993 -11.666 1.00 0.00 N ATOM 0 H LYS P 43 8.474 -4.466 -12.690 1.00 0.00 H new ATOM 0 HA LYS P 43 9.159 -4.505 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS P 43 9.597 -2.211 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS P 43 10.029 -2.927 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS P 43 8.456 -1.714 -12.841 1.00 0.00 H new ATOM 0 HG3 LYS P 43 7.199 -2.162 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS P 43 7.470 -0.245 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS P 43 9.217 -0.288 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS P 43 8.884 0.405 -13.068 1.00 0.00 H new ATOM 0 HE3 LYS P 43 7.230 0.775 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 8.652 2.723 -12.406 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 8.058 2.263 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 9.661 1.905 -11.313 1.00 0.00 H new ATOM 1316 N ARG P 44 6.107 -3.472 -10.698 1.00 0.00 N ATOM 1317 CA ARG P 44 4.813 -3.255 -10.042 1.00 0.00 C ATOM 1318 C ARG P 44 4.272 -4.567 -9.468 1.00 0.00 C ATOM 1319 O ARG P 44 3.604 -4.593 -8.438 1.00 0.00 O ATOM 1320 CB ARG P 44 3.767 -2.695 -11.021 1.00 0.00 C ATOM 1321 CG ARG P 44 4.269 -2.707 -12.463 1.00 0.00 C ATOM 1322 CD ARG P 44 3.074 -2.720 -13.415 1.00 0.00 C ATOM 1323 NE ARG P 44 2.917 -1.408 -14.020 1.00 0.00 N ATOM 1324 CZ ARG P 44 3.787 -0.972 -14.924 1.00 0.00 C ATOM 1325 NH1 ARG P 44 4.788 -1.725 -15.273 1.00 0.00 N ATOM 1326 NH2 ARG P 44 3.651 0.205 -15.461 1.00 0.00 N ATOM 0 H ARG P 44 6.109 -3.363 -11.712 1.00 0.00 H new ATOM 0 HA ARG P 44 4.983 -2.533 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG P 44 2.853 -3.284 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG P 44 3.512 -1.675 -10.734 1.00 0.00 H new ATOM 0 HG2 ARG P 44 4.889 -1.830 -12.651 1.00 0.00 H new ATOM 0 HG3 ARG P 44 4.895 -3.583 -12.635 1.00 0.00 H new ATOM 0 HD2 ARG P 44 3.221 -3.473 -14.189 1.00 0.00 H new ATOM 0 HD3 ARG P 44 2.168 -2.992 -12.874 1.00 0.00 H new ATOM 0 HE ARG P 44 2.132 -0.817 -13.748 1.00 0.00 H new ATOM 0 HH11 ARG P 44 4.903 -2.647 -14.853 1.00 0.00 H new ATOM 0 HH12 ARG P 44 5.458 -1.393 -15.967 1.00 0.00 H new ATOM 0 HH21 ARG P 44 2.871 0.803 -15.189 1.00 0.00 H new ATOM 0 HH22 ARG P 44 4.325 0.530 -16.154 1.00 0.00 H new ATOM 1340 N TRP P 45 4.542 -5.632 -10.187 1.00 0.00 N ATOM 1341 CA TRP P 45 4.075 -6.973 -9.831 1.00 0.00 C ATOM 1342 C TRP P 45 5.201 -7.901 -9.400 1.00 0.00 C ATOM 1343 O TRP P 45 5.057 -9.120 -9.477 1.00 0.00 O ATOM 1344 CB TRP P 45 3.380 -7.554 -11.056 1.00 0.00 C ATOM 1345 CG TRP P 45 2.329 -6.586 -11.375 1.00 0.00 C ATOM 1346 CD1 TRP P 45 1.554 -6.062 -10.436 1.00 0.00 C ATOM 1347 CD2 TRP P 45 1.941 -5.983 -12.639 1.00 0.00 C ATOM 1348 NE1 TRP P 45 0.719 -5.147 -10.997 1.00 0.00 N ATOM 1349 CE2 TRP P 45 0.896 -5.063 -12.370 1.00 0.00 C ATOM 1350 CE3 TRP P 45 2.371 -6.127 -13.971 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 0.308 -4.315 -13.390 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 1.773 -5.376 -14.996 1.00 0.00 C ATOM 1353 CH2 TRP P 45 0.743 -4.473 -14.702 1.00 0.00 C ATOM 0 H TRP P 45 5.095 -5.603 -11.044 1.00 0.00 H new ATOM 0 HA TRP P 45 3.402 -6.889 -8.978 1.00 0.00 H new ATOM 0 HB2 TRP P 45 4.075 -7.674 -11.887 1.00 0.00 H new ATOM 0 HB3 TRP P 45 2.962 -8.539 -10.846 1.00 0.00 H new ATOM 0 HD1 TRP P 45 1.581 -6.321 -9.388 1.00 0.00 H new ATOM 0 HE1 TRP P 45 0.045 -4.590 -10.472 1.00 0.00 H new ATOM 0 HE3 TRP P 45 3.166 -6.819 -14.207 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 -0.483 -3.615 -13.162 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 2.109 -5.495 -16.016 1.00 0.00 H new ATOM 0 HH2 TRP P 45 0.286 -3.899 -15.495 1.00 0.00 H new ATOM 1364 N ASN P 46 6.303 -7.329 -8.944 1.00 0.00 N ATOM 1365 CA ASN P 46 7.436 -8.145 -8.505 1.00 0.00 C ATOM 1366 C ASN P 46 7.423 -9.462 -9.282 1.00 0.00 C ATOM 1367 O ASN P 46 7.498 -10.549 -8.711 1.00 0.00 O ATOM 1368 CB ASN P 46 7.320 -8.435 -7.008 1.00 0.00 C ATOM 1369 CG ASN P 46 8.718 -8.504 -6.390 1.00 0.00 C ATOM 1370 OD1 ASN P 46 9.202 -9.583 -6.054 1.00 0.00 O ATOM 1371 ND2 ASN P 46 9.398 -7.403 -6.221 1.00 0.00 N ATOM 0 H ASN P 46 6.442 -6.322 -8.866 1.00 0.00 H new ATOM 0 HA ASN P 46 8.367 -7.610 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN P 46 6.734 -7.656 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN P 46 6.794 -9.376 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN P 46 10.331 -7.438 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN P 46 8.997 -6.508 -6.500 1.00 0.00 H new ATOM 1378 N LYS P 47 7.256 -9.336 -10.587 1.00 0.00 N ATOM 1379 CA LYS P 47 7.147 -10.492 -11.468 1.00 0.00 C ATOM 1380 C LYS P 47 8.484 -11.210 -11.701 1.00 0.00 C ATOM 1381 O LYS P 47 9.238 -11.478 -10.767 1.00 0.00 O ATOM 1382 CB LYS P 47 6.590 -10.031 -12.812 1.00 0.00 C ATOM 1383 CG LYS P 47 5.178 -9.476 -12.623 1.00 0.00 C ATOM 1384 CD LYS P 47 4.154 -10.498 -13.120 1.00 0.00 C ATOM 1385 CE LYS P 47 4.302 -11.795 -12.324 1.00 0.00 C ATOM 1386 NZ LYS P 47 3.729 -11.610 -10.960 1.00 0.00 N ATOM 0 H LYS P 47 7.192 -8.438 -11.066 1.00 0.00 H new ATOM 0 HA LYS P 47 6.485 -11.207 -10.980 1.00 0.00 H new ATOM 0 HB2 LYS P 47 7.237 -9.266 -13.241 1.00 0.00 H new ATOM 0 HB3 LYS P 47 6.572 -10.865 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS P 47 5.002 -9.252 -11.571 1.00 0.00 H new ATOM 0 HG3 LYS P 47 5.068 -8.540 -13.171 1.00 0.00 H new ATOM 0 HD2 LYS P 47 3.145 -10.102 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS P 47 4.303 -10.691 -14.182 1.00 0.00 H new ATOM 0 HE2 LYS P 47 3.791 -12.609 -12.837 1.00 0.00 H new ATOM 0 HE3 LYS P 47 5.354 -12.073 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 3.753 -12.515 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 4.289 -10.904 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 2.745 -11.282 -11.038 1.00 0.00 H new ATOM 1400 N ASP P 48 8.747 -11.538 -12.965 1.00 0.00 N ATOM 1401 CA ASP P 48 9.954 -12.242 -13.341 1.00 0.00 C ATOM 1402 C ASP P 48 10.485 -11.683 -14.659 1.00 0.00 C ATOM 1403 O ASP P 48 10.164 -12.168 -15.743 1.00 0.00 O ATOM 1404 CB ASP P 48 9.652 -13.732 -13.510 1.00 0.00 C ATOM 1405 CG ASP P 48 10.913 -14.548 -13.221 1.00 0.00 C ATOM 1406 OD1 ASP P 48 11.306 -14.607 -12.068 1.00 0.00 O ATOM 1407 OD2 ASP P 48 11.464 -15.101 -14.159 1.00 0.00 O ATOM 0 H ASP P 48 8.129 -11.321 -13.747 1.00 0.00 H new ATOM 0 HA ASP P 48 10.702 -12.109 -12.560 1.00 0.00 H new ATOM 0 HB2 ASP P 48 8.851 -14.030 -12.833 1.00 0.00 H new ATOM 0 HB3 ASP P 48 9.303 -13.930 -14.524 1.00 0.00 H new ATOM 1412 N CYS P 49 11.314 -10.674 -14.535 1.00 0.00 N ATOM 1413 CA CYS P 49 11.925 -10.040 -15.669 1.00 0.00 C ATOM 1414 C CYS P 49 12.691 -11.089 -16.374 1.00 0.00 C ATOM 1415 O CYS P 49 13.380 -11.890 -15.745 1.00 0.00 O ATOM 1416 CB CYS P 49 12.903 -8.960 -15.260 1.00 0.00 C ATOM 1417 SG CYS P 49 12.621 -7.522 -16.307 1.00 0.00 S ATOM 0 H CYS P 49 11.582 -10.271 -13.637 1.00 0.00 H new ATOM 0 HA CYS P 49 11.149 -9.580 -16.281 1.00 0.00 H new ATOM 0 HB2 CYS P 49 12.765 -8.699 -14.211 1.00 0.00 H new ATOM 0 HB3 CYS P 49 13.928 -9.314 -15.368 1.00 0.00 H new ATOM 0 HG CYS P 49 11.438 -7.038 -16.071 1.00 0.00 H new ATOM 1422 N THR P 50 12.530 -11.170 -17.644 1.00 0.00 N ATOM 1423 CA THR P 50 13.188 -12.234 -18.285 1.00 0.00 C ATOM 1424 C THR P 50 13.390 -12.016 -19.792 1.00 0.00 C ATOM 1425 O THR P 50 12.473 -11.641 -20.523 1.00 0.00 O ATOM 1426 CB THR P 50 12.310 -13.409 -17.919 1.00 0.00 C ATOM 1427 OG1 THR P 50 13.019 -14.600 -17.988 1.00 0.00 O ATOM 1428 CG2 THR P 50 11.059 -13.428 -18.765 1.00 0.00 C ATOM 0 H THR P 50 11.977 -10.545 -18.231 1.00 0.00 H new ATOM 0 HA THR P 50 14.221 -12.371 -17.966 1.00 0.00 H new ATOM 0 HB THR P 50 11.990 -13.295 -16.883 1.00 0.00 H new ATOM 0 HG1 THR P 50 12.858 -15.027 -18.855 1.00 0.00 H new ATOM 0 HG21 THR P 50 10.443 -14.282 -18.484 1.00 0.00 H new ATOM 0 HG22 THR P 50 10.498 -12.507 -18.605 1.00 0.00 H new ATOM 0 HG23 THR P 50 11.332 -13.508 -19.817 1.00 0.00 H new ATOM 1436 N PHE P 51 14.630 -12.258 -20.222 1.00 0.00 N ATOM 1437 CA PHE P 51 15.034 -12.116 -21.621 1.00 0.00 C ATOM 1438 C PHE P 51 15.858 -13.337 -22.020 1.00 0.00 C ATOM 1439 O PHE P 51 16.697 -13.290 -22.920 1.00 0.00 O ATOM 1440 CB PHE P 51 15.901 -10.866 -21.830 1.00 0.00 C ATOM 1441 CG PHE P 51 15.051 -9.678 -22.204 1.00 0.00 C ATOM 1442 CD1 PHE P 51 13.900 -9.361 -21.474 1.00 0.00 C ATOM 1443 CD2 PHE P 51 15.427 -8.890 -23.290 1.00 0.00 C ATOM 1444 CE1 PHE P 51 13.126 -8.255 -21.835 1.00 0.00 C ATOM 1445 CE2 PHE P 51 14.656 -7.783 -23.653 1.00 0.00 C ATOM 1446 CZ PHE P 51 13.503 -7.464 -22.926 1.00 0.00 C ATOM 0 H PHE P 51 15.385 -12.559 -19.606 1.00 0.00 H new ATOM 0 HA PHE P 51 14.133 -12.026 -22.228 1.00 0.00 H new ATOM 0 HB2 PHE P 51 16.457 -10.648 -20.918 1.00 0.00 H new ATOM 0 HB3 PHE P 51 16.635 -11.054 -22.614 1.00 0.00 H new ATOM 0 HD1 PHE P 51 13.610 -9.971 -20.631 1.00 0.00 H new ATOM 0 HD2 PHE P 51 16.316 -9.135 -23.852 1.00 0.00 H new ATOM 0 HE1 PHE P 51 12.237 -8.011 -21.272 1.00 0.00 H new ATOM 0 HE2 PHE P 51 14.950 -7.173 -24.495 1.00 0.00 H new ATOM 0 HZ PHE P 51 12.906 -6.609 -23.207 1.00 0.00 H new ATOM 1456 N ASN P 52 15.593 -14.423 -21.335 1.00 0.00 N ATOM 1457 CA ASN P 52 16.281 -15.675 -21.575 1.00 0.00 C ATOM 1458 C ASN P 52 15.473 -16.496 -22.554 1.00 0.00 C ATOM 1459 O ASN P 52 15.779 -16.574 -23.748 1.00 0.00 O ATOM 1460 CB ASN P 52 16.392 -16.414 -20.261 1.00 0.00 C ATOM 1461 CG ASN P 52 16.835 -15.422 -19.201 1.00 0.00 C ATOM 1462 OD1 ASN P 52 17.984 -15.427 -18.764 1.00 0.00 O ATOM 1463 ND2 ASN P 52 15.967 -14.564 -18.763 1.00 0.00 N ATOM 0 H ASN P 52 14.894 -14.467 -20.594 1.00 0.00 H new ATOM 0 HA ASN P 52 17.275 -15.497 -21.986 1.00 0.00 H new ATOM 0 HB2 ASN P 52 15.434 -16.858 -19.991 1.00 0.00 H new ATOM 0 HB3 ASN P 52 17.109 -17.231 -20.342 1.00 0.00 H new ATOM 0 HD21 ASN P 52 16.235 -13.886 -18.050 1.00 0.00 H new ATOM 0 HD22 ASN P 52 15.016 -14.567 -19.131 1.00 0.00 H new ATOM 1470 N TRP P 53 14.377 -17.026 -22.053 1.00 0.00 N ATOM 1471 CA TRP P 53 13.463 -17.736 -22.890 1.00 0.00 C ATOM 1472 C TRP P 53 13.302 -16.877 -24.139 1.00 0.00 C ATOM 1473 O TRP P 53 12.994 -17.375 -25.204 1.00 0.00 O ATOM 1474 CB TRP P 53 12.125 -17.829 -22.174 1.00 0.00 C ATOM 1475 CG TRP P 53 11.690 -16.430 -21.956 1.00 0.00 C ATOM 1476 CD1 TRP P 53 12.328 -15.544 -21.158 1.00 0.00 C ATOM 1477 CD2 TRP P 53 10.576 -15.719 -22.554 1.00 0.00 C ATOM 1478 NE1 TRP P 53 11.710 -14.334 -21.252 1.00 0.00 N ATOM 1479 CE2 TRP P 53 10.608 -14.386 -22.088 1.00 0.00 C ATOM 1480 CE3 TRP P 53 9.553 -16.086 -23.447 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 9.667 -13.453 -22.494 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 8.595 -15.144 -23.854 1.00 0.00 C ATOM 1483 CH2 TRP P 53 8.654 -13.828 -23.378 1.00 0.00 C ATOM 0 H TRP P 53 14.107 -16.973 -21.071 1.00 0.00 H new ATOM 0 HA TRP P 53 13.811 -18.741 -23.129 1.00 0.00 H new ATOM 0 HB2 TRP P 53 11.397 -18.377 -22.773 1.00 0.00 H new ATOM 0 HB3 TRP P 53 12.223 -18.361 -21.228 1.00 0.00 H new ATOM 0 HD1 TRP P 53 13.190 -15.761 -20.544 1.00 0.00 H new ATOM 0 HE1 TRP P 53 12.021 -13.493 -20.766 1.00 0.00 H new ATOM 0 HE3 TRP P 53 9.504 -17.098 -23.821 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 9.717 -12.438 -22.127 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 7.810 -15.435 -24.536 1.00 0.00 H new ATOM 0 HH2 TRP P 53 7.917 -13.105 -23.694 1.00 0.00 H new ATOM 1494 N LEU P 54 13.547 -15.562 -23.965 1.00 0.00 N ATOM 1495 CA LEU P 54 13.473 -14.595 -25.063 1.00 0.00 C ATOM 1496 C LEU P 54 14.568 -14.874 -26.061 1.00 0.00 C ATOM 1497 O LEU P 54 14.331 -15.067 -27.252 1.00 0.00 O ATOM 1498 CB LEU P 54 13.718 -13.183 -24.534 1.00 0.00 C ATOM 1499 CG LEU P 54 12.474 -12.677 -23.851 1.00 0.00 C ATOM 1500 CD1 LEU P 54 12.646 -11.203 -23.474 1.00 0.00 C ATOM 1501 CD2 LEU P 54 11.311 -12.790 -24.803 1.00 0.00 C ATOM 0 H LEU P 54 13.799 -15.150 -23.066 1.00 0.00 H new ATOM 0 HA LEU P 54 12.487 -14.678 -25.520 1.00 0.00 H new ATOM 0 HB2 LEU P 54 14.554 -13.186 -23.834 1.00 0.00 H new ATOM 0 HB3 LEU P 54 13.991 -12.519 -25.354 1.00 0.00 H new ATOM 0 HG LEU P 54 12.296 -13.268 -22.953 1.00 0.00 H new ATOM 0 HD11 LEU P 54 11.742 -10.846 -22.981 1.00 0.00 H new ATOM 0 HD12 LEU P 54 13.494 -11.097 -22.798 1.00 0.00 H new ATOM 0 HD13 LEU P 54 12.824 -10.616 -24.375 1.00 0.00 H new ATOM 0 HD21 LEU P 54 10.406 -12.426 -24.317 1.00 0.00 H new ATOM 0 HD22 LEU P 54 11.510 -12.193 -25.693 1.00 0.00 H new ATOM 0 HD23 LEU P 54 11.175 -13.833 -25.089 1.00 0.00 H new ATOM 1513 N SER P 55 15.778 -14.886 -25.552 1.00 0.00 N ATOM 1514 CA SER P 55 16.919 -15.151 -26.397 1.00 0.00 C ATOM 1515 C SER P 55 16.682 -16.462 -27.138 1.00 0.00 C ATOM 1516 O SER P 55 17.326 -16.752 -28.143 1.00 0.00 O ATOM 1517 CB SER P 55 18.188 -15.259 -25.550 1.00 0.00 C ATOM 1518 OG SER P 55 19.306 -15.471 -26.403 1.00 0.00 O ATOM 0 H SER P 55 15.997 -14.718 -24.570 1.00 0.00 H new ATOM 0 HA SER P 55 17.045 -14.336 -27.109 1.00 0.00 H new ATOM 0 HB2 SER P 55 18.328 -14.349 -24.967 1.00 0.00 H new ATOM 0 HB3 SER P 55 18.096 -16.081 -24.840 1.00 0.00 H new ATOM 0 HG SER P 55 20.121 -15.539 -25.863 1.00 0.00 H new ATOM 1524 N SER P 56 15.745 -17.253 -26.629 1.00 0.00 N ATOM 1525 CA SER P 56 15.431 -18.526 -27.248 1.00 0.00 C ATOM 1526 C SER P 56 13.978 -18.573 -27.747 1.00 0.00 C ATOM 1527 O SER P 56 13.576 -19.544 -28.387 1.00 0.00 O ATOM 1528 CB SER P 56 15.649 -19.652 -26.239 1.00 0.00 C ATOM 1529 OG SER P 56 16.842 -19.403 -25.508 1.00 0.00 O ATOM 0 H SER P 56 15.196 -17.035 -25.797 1.00 0.00 H new ATOM 0 HA SER P 56 16.091 -18.650 -28.107 1.00 0.00 H new ATOM 0 HB2 SER P 56 14.799 -19.716 -25.559 1.00 0.00 H new ATOM 0 HB3 SER P 56 15.718 -20.610 -26.755 1.00 0.00 H new ATOM 0 HG SER P 56 16.984 -20.123 -24.858 1.00 0.00 H new ATOM 1535 N GLN P 57 13.180 -17.547 -27.449 1.00 0.00 N ATOM 1536 CA GLN P 57 11.789 -17.558 -27.886 1.00 0.00 C ATOM 1537 C GLN P 57 11.627 -16.884 -29.247 1.00 0.00 C ATOM 1538 O GLN P 57 10.871 -17.353 -30.097 1.00 0.00 O ATOM 1539 CB GLN P 57 10.910 -16.835 -26.862 1.00 0.00 C ATOM 1540 CG GLN P 57 9.438 -17.027 -27.232 1.00 0.00 C ATOM 1541 CD GLN P 57 8.777 -15.664 -27.443 1.00 0.00 C ATOM 1542 OE1 GLN P 57 7.895 -15.270 -26.681 1.00 0.00 O ATOM 1543 NE2 GLN P 57 9.154 -14.916 -28.444 1.00 0.00 N ATOM 0 H GLN P 57 13.464 -16.721 -26.922 1.00 0.00 H new ATOM 0 HA GLN P 57 11.479 -18.599 -27.974 1.00 0.00 H new ATOM 0 HB2 GLN P 57 11.099 -17.227 -25.863 1.00 0.00 H new ATOM 0 HB3 GLN P 57 11.156 -15.773 -26.840 1.00 0.00 H new ATOM 0 HG2 GLN P 57 9.356 -17.626 -28.139 1.00 0.00 H new ATOM 0 HG3 GLN P 57 8.923 -17.573 -26.442 1.00 0.00 H new ATOM 0 HE21 GLN P 57 9.885 -15.241 -29.077 1.00 0.00 H new ATOM 0 HE22 GLN P 57 8.718 -14.006 -28.594 1.00 0.00 H new