USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=20 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 11 SER OG : rot -74:sc= 0.477! USER MOD Set 1.2: P 12 CYS SG : rot -47:sc= -0.473! USER MOD Set 1.3: P 15 CYS SG : rot -174:sc= -8.13! USER MOD Set 1.4: P 22 CYS SG : rot 161:sc= 1.03 USER MOD Set 1.5: P 39 CYS SG : rot -131:sc= -0.609! USER MOD Set 1.6: P 41 ASN : amide:sc= -11.6! C(o=-27!,f=-36!) USER MOD Set 1.7: P 42 CYS SG : rot 79:sc= -6.03! USER MOD Set 1.8: P 49 CYS SG : rot 1:sc= -1.86! USER MOD Single : P 8 GLN :FLIP amide:sc= -0.125 F(o=-1.3,f=-0.12) USER MOD Single : P 9 ASN :FLIP amide:sc= -1.89! C(o=-4.2!,f=-1.9!) USER MOD Single : P 10 HIS :FLIP no HE2:sc= -16.2! C(o=-17!,f=-16!) USER MOD Single : P 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 27 ASN :FLIP amide:sc= -3.89! C(o=-5.1!,f=-3.9!) USER MOD Single : P 29 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.046) USER MOD Single : P 32 ASN :FLIP amide:sc= -1.08 F(o=-1.9!,f=-1.1) USER MOD Single : P 34 ASN :FLIP amide:sc= -1.36! C(o=-3.1!,f=-1.4!) USER MOD Single : P 38 SER OG : rot -21:sc= 0.0499 USER MOD Single : P 40 SER OG : rot 180:sc= 0 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= -3.53! C(o=-3.5!,f=-3.2!) USER MOD Single : P 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0858) USER MOD Single : P 50 THR OG1 : rot -89:sc= 1.22 USER MOD Single : P 52 ASN :FLIP amide:sc= -0.221 F(o=-5.9!,f=-0.22) 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= -1.26 K(o=-1.3,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 21.923 -4.153 -22.142 1.00 0.00 N ATOM 734 CA ARG P 6 20.780 -4.398 -23.004 1.00 0.00 C ATOM 735 C ARG P 6 20.643 -5.850 -23.483 1.00 0.00 C ATOM 736 O ARG P 6 21.626 -6.549 -23.724 1.00 0.00 O ATOM 737 CB ARG P 6 20.891 -3.520 -24.237 1.00 0.00 C ATOM 738 CG ARG P 6 19.543 -3.519 -24.936 1.00 0.00 C ATOM 739 CD ARG P 6 19.685 -4.140 -26.312 1.00 0.00 C ATOM 740 NE ARG P 6 19.611 -3.076 -27.272 1.00 0.00 N ATOM 741 CZ ARG P 6 19.462 -3.321 -28.567 1.00 0.00 C ATOM 742 NH1 ARG P 6 19.395 -4.554 -28.992 1.00 0.00 N ATOM 743 NH2 ARG P 6 19.382 -2.334 -29.416 1.00 0.00 N ATOM 0 HA ARG P 6 19.902 -4.172 -22.399 1.00 0.00 H new ATOM 0 HB2 ARG P 6 21.176 -2.506 -23.958 1.00 0.00 H new ATOM 0 HB3 ARG P 6 21.666 -3.897 -24.904 1.00 0.00 H new ATOM 0 HG2 ARG P 6 18.816 -4.078 -24.347 1.00 0.00 H new ATOM 0 HG3 ARG P 6 19.167 -2.499 -25.023 1.00 0.00 H new ATOM 0 HD2 ARG P 6 20.634 -4.670 -26.398 1.00 0.00 H new ATOM 0 HD3 ARG P 6 18.895 -4.871 -26.487 1.00 0.00 H new ATOM 0 HE ARG P 6 19.674 -2.110 -26.951 1.00 0.00 H new ATOM 0 HH11 ARG P 6 19.457 -5.326 -28.329 1.00 0.00 H new ATOM 0 HH12 ARG P 6 19.280 -4.745 -29.987 1.00 0.00 H new ATOM 0 HH21 ARG P 6 19.434 -1.371 -29.085 1.00 0.00 H new ATOM 0 HH22 ARG P 6 19.267 -2.525 -30.411 1.00 0.00 H new ATOM 757 N ARG P 7 19.385 -6.249 -23.680 1.00 0.00 N ATOM 758 CA ARG P 7 19.046 -7.570 -24.208 1.00 0.00 C ATOM 759 C ARG P 7 19.062 -8.686 -23.154 1.00 0.00 C ATOM 760 O ARG P 7 19.225 -9.856 -23.497 1.00 0.00 O ATOM 761 CB ARG P 7 20.035 -7.931 -25.308 1.00 0.00 C ATOM 762 CG ARG P 7 21.122 -8.822 -24.719 1.00 0.00 C ATOM 763 CD ARG P 7 22.434 -8.588 -25.463 1.00 0.00 C ATOM 764 NE ARG P 7 22.647 -9.647 -26.438 1.00 0.00 N ATOM 765 CZ ARG P 7 23.144 -10.820 -26.074 1.00 0.00 C ATOM 766 NH1 ARG P 7 23.451 -11.038 -24.825 1.00 0.00 N ATOM 767 NH2 ARG P 7 23.326 -11.756 -26.964 1.00 0.00 N ATOM 0 H ARG P 7 18.574 -5.665 -23.478 1.00 0.00 H new ATOM 0 HA ARG P 7 18.024 -7.500 -24.581 1.00 0.00 H new ATOM 0 HB2 ARG P 7 19.524 -8.447 -26.121 1.00 0.00 H new ATOM 0 HB3 ARG P 7 20.475 -7.028 -25.731 1.00 0.00 H new ATOM 0 HG2 ARG P 7 21.250 -8.605 -23.659 1.00 0.00 H new ATOM 0 HG3 ARG P 7 20.830 -9.869 -24.797 1.00 0.00 H new ATOM 0 HD2 ARG P 7 22.410 -7.620 -25.964 1.00 0.00 H new ATOM 0 HD3 ARG P 7 23.263 -8.561 -24.756 1.00 0.00 H new ATOM 0 HE ARG P 7 22.410 -9.484 -27.417 1.00 0.00 H new ATOM 0 HH11 ARG P 7 23.308 -10.306 -24.129 1.00 0.00 H new ATOM 0 HH12 ARG P 7 23.834 -11.941 -24.544 1.00 0.00 H new ATOM 0 HH21 ARG P 7 23.086 -11.585 -27.940 1.00 0.00 H new ATOM 0 HH22 ARG P 7 23.709 -12.659 -26.684 1.00 0.00 H new ATOM 781 N GLN P 8 18.887 -8.357 -21.889 1.00 0.00 N ATOM 782 CA GLN P 8 18.897 -9.407 -20.879 1.00 0.00 C ATOM 783 C GLN P 8 17.498 -9.988 -20.664 1.00 0.00 C ATOM 784 O GLN P 8 17.349 -11.176 -20.382 1.00 0.00 O ATOM 785 CB GLN P 8 19.440 -8.878 -19.555 1.00 0.00 C ATOM 786 CG GLN P 8 20.231 -9.987 -18.858 1.00 0.00 C ATOM 787 CD GLN P 8 21.385 -9.369 -18.071 1.00 0.00 C ATOM 788 OE1 GLN P 8 21.336 -8.105 -17.762 1.00 0.00 O flip ATOM 789 NE2 GLN P 8 22.352 -10.051 -17.732 1.00 0.00 N flip ATOM 0 H GLN P 8 18.741 -7.410 -21.541 1.00 0.00 H new ATOM 0 HA GLN P 8 19.550 -10.201 -21.243 1.00 0.00 H new ATOM 0 HB2 GLN P 8 20.080 -8.013 -19.730 1.00 0.00 H new ATOM 0 HB3 GLN P 8 18.620 -8.544 -18.919 1.00 0.00 H new ATOM 0 HG2 GLN P 8 19.579 -10.548 -18.189 1.00 0.00 H new ATOM 0 HG3 GLN P 8 20.615 -10.693 -19.594 1.00 0.00 H new ATOM 0 HE21 GLN P 8 22.388 -11.041 -17.975 1.00 0.00 H new ATOM 0 HE22 GLN P 8 23.117 -9.626 -17.208 1.00 0.00 H new ATOM 798 N ASN P 9 16.476 -9.155 -20.791 1.00 0.00 N ATOM 799 CA ASN P 9 15.112 -9.630 -20.598 1.00 0.00 C ATOM 800 C ASN P 9 14.073 -8.587 -21.028 1.00 0.00 C ATOM 801 O ASN P 9 12.908 -8.695 -20.663 1.00 0.00 O ATOM 802 CB ASN P 9 14.900 -9.968 -19.121 1.00 0.00 C ATOM 803 CG ASN P 9 14.347 -8.746 -18.378 1.00 0.00 C ATOM 804 OD1 ASN P 9 14.747 -7.547 -18.713 1.00 0.00 O flip ATOM 805 ND2 ASN P 9 13.530 -8.886 -17.469 1.00 0.00 N flip ATOM 0 H ASN P 9 16.560 -8.165 -21.022 1.00 0.00 H new ATOM 0 HA ASN P 9 14.977 -10.514 -21.221 1.00 0.00 H new ATOM 0 HB2 ASN P 9 14.208 -10.805 -19.027 1.00 0.00 H new ATOM 0 HB3 ASN P 9 15.843 -10.281 -18.672 1.00 0.00 H new ATOM 0 HD21 ASN P 9 13.216 -9.820 -17.205 1.00 0.00 H new ATOM 0 HD22 ASN P 9 13.167 -8.068 -16.979 1.00 0.00 H new ATOM 812 N HIS P 10 14.499 -7.605 -21.819 1.00 0.00 N ATOM 813 CA HIS P 10 13.600 -6.557 -22.312 1.00 0.00 C ATOM 814 C HIS P 10 12.598 -6.097 -21.221 1.00 0.00 C ATOM 815 O HIS P 10 11.836 -6.886 -20.677 1.00 0.00 O ATOM 816 CB HIS P 10 12.930 -7.075 -23.588 1.00 0.00 C ATOM 817 CG HIS P 10 11.558 -7.573 -23.313 1.00 0.00 C ATOM 818 ND1 HIS P 10 11.115 -8.761 -22.810 1.00 0.00 N flip ATOM 819 CD2 HIS P 10 10.433 -6.842 -23.647 1.00 0.00 C flip ATOM 820 CE1 HIS P 10 9.728 -8.787 -22.838 1.00 0.00 C flip ATOM 821 NE2 HIS P 10 9.360 -7.601 -23.353 1.00 0.00 N flip ATOM 0 H HIS P 10 15.464 -7.511 -22.135 1.00 0.00 H new ATOM 0 HA HIS P 10 14.161 -5.655 -22.558 1.00 0.00 H new ATOM 0 HB2 HIS P 10 12.888 -6.277 -24.329 1.00 0.00 H new ATOM 0 HB3 HIS P 10 13.531 -7.877 -24.017 1.00 0.00 H new ATOM 0 HD1 HIS P 10 11.711 -9.514 -22.466 1.00 0.00 H new ATOM 0 HD2 HIS P 10 10.418 -5.847 -24.066 1.00 0.00 H new ATOM 0 HE1 HIS P 10 9.081 -9.589 -22.515 1.00 0.00 H new ATOM 830 N SER P 11 12.660 -4.801 -20.867 1.00 0.00 N ATOM 831 CA SER P 11 11.823 -4.249 -19.784 1.00 0.00 C ATOM 832 C SER P 11 10.470 -3.682 -20.253 1.00 0.00 C ATOM 833 O SER P 11 10.153 -3.675 -21.441 1.00 0.00 O ATOM 834 CB SER P 11 12.596 -3.129 -19.088 1.00 0.00 C ATOM 835 OG SER P 11 13.383 -3.681 -18.042 1.00 0.00 O ATOM 0 H SER P 11 13.276 -4.120 -21.311 1.00 0.00 H new ATOM 0 HA SER P 11 11.600 -5.081 -19.116 1.00 0.00 H new ATOM 0 HB2 SER P 11 13.234 -2.612 -19.805 1.00 0.00 H new ATOM 0 HB3 SER P 11 11.904 -2.389 -18.686 1.00 0.00 H new ATOM 0 HG SER P 11 12.804 -3.923 -17.290 1.00 0.00 H new ATOM 841 N CYS P 12 9.673 -3.224 -19.273 1.00 0.00 N ATOM 842 CA CYS P 12 8.325 -2.665 -19.558 1.00 0.00 C ATOM 843 C CYS P 12 8.341 -1.268 -20.184 1.00 0.00 C ATOM 844 O CYS P 12 9.335 -0.546 -20.138 1.00 0.00 O ATOM 845 CB CYS P 12 7.510 -2.525 -18.272 1.00 0.00 C ATOM 846 SG CYS P 12 7.882 -3.884 -17.172 1.00 0.00 S ATOM 0 H CYS P 12 9.927 -3.226 -18.285 1.00 0.00 H new ATOM 0 HA CYS P 12 7.891 -3.374 -20.263 1.00 0.00 H new ATOM 0 HB2 CYS P 12 7.740 -1.577 -17.785 1.00 0.00 H new ATOM 0 HB3 CYS P 12 6.445 -2.514 -18.504 1.00 0.00 H new ATOM 0 HG CYS P 12 7.836 -5.002 -17.833 1.00 0.00 H new ATOM 851 N ASP P 13 7.175 -0.890 -20.723 1.00 0.00 N ATOM 852 CA ASP P 13 6.989 0.436 -21.323 1.00 0.00 C ATOM 853 C ASP P 13 7.538 1.544 -20.417 1.00 0.00 C ATOM 854 O ASP P 13 8.323 2.401 -20.841 1.00 0.00 O ATOM 855 CB ASP P 13 5.493 0.712 -21.511 1.00 0.00 C ATOM 856 CG ASP P 13 5.292 1.696 -22.665 1.00 0.00 C ATOM 857 OD1 ASP P 13 6.134 2.562 -22.832 1.00 0.00 O ATOM 858 OD2 ASP P 13 4.299 1.566 -23.361 1.00 0.00 O ATOM 0 H ASP P 13 6.347 -1.484 -20.756 1.00 0.00 H new ATOM 0 HA ASP P 13 7.521 0.437 -22.274 1.00 0.00 H new ATOM 0 HB2 ASP P 13 4.965 -0.219 -21.718 1.00 0.00 H new ATOM 0 HB3 ASP P 13 5.071 1.121 -20.593 1.00 0.00 H new ATOM 863 N PRO P 14 7.106 1.549 -19.148 1.00 0.00 N ATOM 864 CA PRO P 14 7.514 2.567 -18.166 1.00 0.00 C ATOM 865 C PRO P 14 8.977 2.431 -17.783 1.00 0.00 C ATOM 866 O PRO P 14 9.617 3.383 -17.337 1.00 0.00 O ATOM 867 CB PRO P 14 6.587 2.299 -16.980 1.00 0.00 C ATOM 868 CG PRO P 14 6.258 0.821 -17.093 1.00 0.00 C ATOM 869 CD PRO P 14 6.214 0.519 -18.582 1.00 0.00 C ATOM 0 HA PRO P 14 7.429 3.584 -18.550 1.00 0.00 H new ATOM 0 HB2 PRO P 14 7.076 2.527 -16.033 1.00 0.00 H new ATOM 0 HB3 PRO P 14 5.687 2.913 -17.031 1.00 0.00 H new ATOM 0 HG2 PRO P 14 7.012 0.213 -16.593 1.00 0.00 H new ATOM 0 HG3 PRO P 14 5.302 0.596 -16.620 1.00 0.00 H new ATOM 0 HD2 PRO P 14 6.568 -0.488 -18.802 1.00 0.00 H new ATOM 0 HD3 PRO P 14 5.203 0.596 -18.981 1.00 0.00 H new ATOM 877 N CYS P 15 9.501 1.242 -17.977 1.00 0.00 N ATOM 878 CA CYS P 15 10.886 0.987 -17.665 1.00 0.00 C ATOM 879 C CYS P 15 11.793 1.591 -18.736 1.00 0.00 C ATOM 880 O CYS P 15 12.843 2.150 -18.435 1.00 0.00 O ATOM 881 CB CYS P 15 11.084 -0.517 -17.534 1.00 0.00 C ATOM 882 SG CYS P 15 10.325 -0.995 -15.968 1.00 0.00 S ATOM 0 H CYS P 15 8.991 0.440 -18.348 1.00 0.00 H new ATOM 0 HA CYS P 15 11.155 1.459 -16.720 1.00 0.00 H new ATOM 0 HB2 CYS P 15 10.620 -1.044 -18.368 1.00 0.00 H new ATOM 0 HB3 CYS P 15 12.144 -0.772 -17.546 1.00 0.00 H new ATOM 0 HG CYS P 15 10.572 -2.249 -15.731 1.00 0.00 H new ATOM 887 N ARG P 16 11.366 1.518 -19.982 1.00 0.00 N ATOM 888 CA ARG P 16 12.149 2.103 -21.057 1.00 0.00 C ATOM 889 C ARG P 16 12.144 3.621 -20.923 1.00 0.00 C ATOM 890 O ARG P 16 13.093 4.300 -21.314 1.00 0.00 O ATOM 891 CB ARG P 16 11.546 1.743 -22.412 1.00 0.00 C ATOM 892 CG ARG P 16 11.235 0.254 -22.464 1.00 0.00 C ATOM 893 CD ARG P 16 10.368 -0.028 -23.687 1.00 0.00 C ATOM 894 NE ARG P 16 10.662 -1.354 -24.200 1.00 0.00 N ATOM 895 CZ ARG P 16 9.871 -2.393 -23.945 1.00 0.00 C ATOM 896 NH1 ARG P 16 8.819 -2.260 -23.180 1.00 0.00 N ATOM 897 NH2 ARG P 16 10.155 -3.562 -24.448 1.00 0.00 N ATOM 0 H ARG P 16 10.498 1.069 -20.273 1.00 0.00 H new ATOM 0 HA ARG P 16 13.166 1.715 -20.992 1.00 0.00 H new ATOM 0 HB2 ARG P 16 10.636 2.319 -22.579 1.00 0.00 H new ATOM 0 HB3 ARG P 16 12.241 2.006 -23.210 1.00 0.00 H new ATOM 0 HG2 ARG P 16 12.159 -0.322 -22.516 1.00 0.00 H new ATOM 0 HG3 ARG P 16 10.717 -0.055 -21.556 1.00 0.00 H new ATOM 0 HD2 ARG P 16 9.313 0.044 -23.421 1.00 0.00 H new ATOM 0 HD3 ARG P 16 10.555 0.720 -24.457 1.00 0.00 H new ATOM 0 HE ARG P 16 11.496 -1.493 -24.770 1.00 0.00 H new ATOM 0 HH11 ARG P 16 8.597 -1.352 -22.771 1.00 0.00 H new ATOM 0 HH12 ARG P 16 8.220 -3.064 -22.992 1.00 0.00 H new ATOM 0 HH21 ARG P 16 10.981 -3.678 -25.035 1.00 0.00 H new ATOM 0 HH22 ARG P 16 9.551 -4.361 -24.255 1.00 0.00 H new ATOM 911 N LYS P 17 11.053 4.142 -20.380 1.00 0.00 N ATOM 912 CA LYS P 17 10.909 5.584 -20.213 1.00 0.00 C ATOM 913 C LYS P 17 11.415 6.047 -18.843 1.00 0.00 C ATOM 914 O LYS P 17 11.661 7.233 -18.633 1.00 0.00 O ATOM 915 CB LYS P 17 9.436 5.971 -20.360 1.00 0.00 C ATOM 916 CG LYS P 17 8.714 5.751 -19.029 1.00 0.00 C ATOM 917 CD LYS P 17 8.426 7.104 -18.376 1.00 0.00 C ATOM 918 CE LYS P 17 7.265 6.961 -17.390 1.00 0.00 C ATOM 919 NZ LYS P 17 6.905 8.302 -16.849 1.00 0.00 N ATOM 0 H LYS P 17 10.259 3.594 -20.049 1.00 0.00 H new ATOM 0 HA LYS P 17 11.509 6.071 -20.982 1.00 0.00 H new ATOM 0 HB2 LYS P 17 9.352 7.015 -20.663 1.00 0.00 H new ATOM 0 HB3 LYS P 17 8.968 5.373 -21.142 1.00 0.00 H new ATOM 0 HG2 LYS P 17 7.783 5.209 -19.193 1.00 0.00 H new ATOM 0 HG3 LYS P 17 9.327 5.139 -18.367 1.00 0.00 H new ATOM 0 HD2 LYS P 17 9.314 7.465 -17.858 1.00 0.00 H new ATOM 0 HD3 LYS P 17 8.180 7.842 -19.139 1.00 0.00 H new ATOM 0 HE2 LYS P 17 6.404 6.515 -17.888 1.00 0.00 H new ATOM 0 HE3 LYS P 17 7.545 6.292 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 6.116 8.205 -16.179 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 7.727 8.711 -16.360 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 6.621 8.927 -17.630 1.00 0.00 H new ATOM 933 N GLY P 18 11.576 5.113 -17.920 1.00 0.00 N ATOM 934 CA GLY P 18 12.060 5.452 -16.595 1.00 0.00 C ATOM 935 C GLY P 18 13.529 5.091 -16.471 1.00 0.00 C ATOM 936 O GLY P 18 14.178 5.413 -15.487 1.00 0.00 O ATOM 0 H GLY P 18 11.380 4.122 -18.063 1.00 0.00 H new ATOM 0 HA2 GLY P 18 11.922 6.517 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY P 18 11.481 4.920 -15.840 1.00 0.00 H new ATOM 940 N LYS P 19 14.035 4.419 -17.485 1.00 0.00 N ATOM 941 CA LYS P 19 15.411 4.006 -17.511 1.00 0.00 C ATOM 942 C LYS P 19 15.686 2.972 -16.439 1.00 0.00 C ATOM 943 O LYS P 19 16.533 3.167 -15.577 1.00 0.00 O ATOM 944 CB LYS P 19 16.312 5.209 -17.307 1.00 0.00 C ATOM 945 CG LYS P 19 16.973 5.519 -18.637 1.00 0.00 C ATOM 946 CD LYS P 19 18.019 6.619 -18.453 1.00 0.00 C ATOM 947 CE LYS P 19 18.332 7.258 -19.806 1.00 0.00 C ATOM 948 NZ LYS P 19 19.764 7.021 -20.141 1.00 0.00 N ATOM 0 H LYS P 19 13.500 4.147 -18.310 1.00 0.00 H new ATOM 0 HA LYS P 19 15.617 3.557 -18.483 1.00 0.00 H new ATOM 0 HB2 LYS P 19 15.734 6.065 -16.958 1.00 0.00 H new ATOM 0 HB3 LYS P 19 17.063 5.000 -16.546 1.00 0.00 H new ATOM 0 HG2 LYS P 19 17.443 4.621 -19.038 1.00 0.00 H new ATOM 0 HG3 LYS P 19 16.222 5.836 -19.361 1.00 0.00 H new ATOM 0 HD2 LYS P 19 17.650 7.374 -17.759 1.00 0.00 H new ATOM 0 HD3 LYS P 19 18.927 6.203 -18.017 1.00 0.00 H new ATOM 0 HE2 LYS P 19 17.691 6.834 -20.579 1.00 0.00 H new ATOM 0 HE3 LYS P 19 18.126 8.328 -19.772 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 19.982 7.454 -21.061 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 20.367 7.445 -19.407 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 19.945 5.998 -20.189 1.00 0.00 H new ATOM 962 N ARG P 20 14.972 1.868 -16.478 1.00 0.00 N ATOM 963 CA ARG P 20 15.209 0.861 -15.485 1.00 0.00 C ATOM 964 C ARG P 20 14.989 -0.556 -16.002 1.00 0.00 C ATOM 965 O ARG P 20 14.010 -0.860 -16.679 1.00 0.00 O ATOM 966 CB ARG P 20 14.320 1.105 -14.270 1.00 0.00 C ATOM 967 CG ARG P 20 15.127 1.780 -13.162 1.00 0.00 C ATOM 968 CD ARG P 20 16.535 1.188 -13.120 1.00 0.00 C ATOM 969 NE ARG P 20 16.885 0.841 -11.762 1.00 0.00 N ATOM 970 CZ ARG P 20 16.661 -0.373 -11.276 1.00 0.00 C ATOM 971 NH1 ARG P 20 16.043 -1.270 -11.998 1.00 0.00 N ATOM 972 NH2 ARG P 20 17.050 -0.668 -10.069 1.00 0.00 N ATOM 0 H ARG P 20 14.248 1.655 -17.164 1.00 0.00 H new ATOM 0 HA ARG P 20 16.260 0.940 -15.208 1.00 0.00 H new ATOM 0 HB2 ARG P 20 13.473 1.732 -14.548 1.00 0.00 H new ATOM 0 HB3 ARG P 20 13.913 0.160 -13.911 1.00 0.00 H new ATOM 0 HG2 ARG P 20 15.178 2.854 -13.339 1.00 0.00 H new ATOM 0 HG3 ARG P 20 14.633 1.638 -12.201 1.00 0.00 H new ATOM 0 HD2 ARG P 20 16.585 0.303 -13.755 1.00 0.00 H new ATOM 0 HD3 ARG P 20 17.252 1.906 -13.517 1.00 0.00 H new ATOM 0 HE ARG P 20 17.314 1.546 -11.163 1.00 0.00 H new ATOM 0 HH11 ARG P 20 15.730 -1.038 -12.941 1.00 0.00 H new ATOM 0 HH12 ARG P 20 15.874 -2.202 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG P 20 17.525 0.033 -9.501 1.00 0.00 H new ATOM 0 HH22 ARG P 20 16.880 -1.600 -9.692 1.00 0.00 H new ATOM 986 N ARG P 21 15.913 -1.414 -15.619 1.00 0.00 N ATOM 987 CA ARG P 21 15.868 -2.820 -15.963 1.00 0.00 C ATOM 988 C ARG P 21 14.825 -3.500 -15.092 1.00 0.00 C ATOM 989 O ARG P 21 14.371 -2.912 -14.113 1.00 0.00 O ATOM 990 CB ARG P 21 17.207 -3.425 -15.594 1.00 0.00 C ATOM 991 CG ARG P 21 17.316 -3.399 -14.070 1.00 0.00 C ATOM 992 CD ARG P 21 17.383 -4.823 -13.548 1.00 0.00 C ATOM 993 NE ARG P 21 18.744 -5.274 -13.690 1.00 0.00 N ATOM 994 CZ ARG P 21 19.327 -6.016 -12.749 1.00 0.00 C ATOM 995 NH1 ARG P 21 18.631 -6.469 -11.740 1.00 0.00 N ATOM 996 NH2 ARG P 21 20.594 -6.313 -12.837 1.00 0.00 N ATOM 0 H ARG P 21 16.722 -1.153 -15.056 1.00 0.00 H new ATOM 0 HA ARG P 21 15.639 -2.944 -17.021 1.00 0.00 H new ATOM 0 HB2 ARG P 21 17.282 -4.446 -15.967 1.00 0.00 H new ATOM 0 HB3 ARG P 21 18.021 -2.860 -16.047 1.00 0.00 H new ATOM 0 HG2 ARG P 21 18.205 -2.846 -13.767 1.00 0.00 H new ATOM 0 HG3 ARG P 21 16.457 -2.882 -13.641 1.00 0.00 H new ATOM 0 HD2 ARG P 21 17.073 -4.863 -12.504 1.00 0.00 H new ATOM 0 HD3 ARG P 21 16.705 -5.468 -14.107 1.00 0.00 H new ATOM 0 HE ARG P 21 19.271 -5.021 -14.526 1.00 0.00 H new ATOM 0 HH11 ARG P 21 17.636 -6.255 -11.670 1.00 0.00 H new ATOM 0 HH12 ARG P 21 19.083 -7.036 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG P 21 21.143 -5.977 -13.628 1.00 0.00 H new ATOM 0 HH22 ARG P 21 21.036 -6.881 -12.114 1.00 0.00 H new ATOM 1010 N CYS P 22 14.456 -4.734 -15.389 1.00 0.00 N ATOM 1011 CA CYS P 22 13.490 -5.363 -14.505 1.00 0.00 C ATOM 1012 C CYS P 22 13.241 -6.848 -14.760 1.00 0.00 C ATOM 1013 O CYS P 22 13.932 -7.506 -15.537 1.00 0.00 O ATOM 1014 CB CYS P 22 12.183 -4.612 -14.589 1.00 0.00 C ATOM 1015 SG CYS P 22 11.546 -4.642 -16.274 1.00 0.00 S ATOM 0 H CYS P 22 14.783 -5.290 -16.179 1.00 0.00 H new ATOM 0 HA CYS P 22 13.927 -5.313 -13.508 1.00 0.00 H new ATOM 0 HB2 CYS P 22 11.456 -5.059 -13.911 1.00 0.00 H new ATOM 0 HB3 CYS P 22 12.328 -3.581 -14.267 1.00 0.00 H new ATOM 0 HG CYS P 22 10.276 -4.365 -16.263 1.00 0.00 H new ATOM 1020 N ASP P 23 12.241 -7.352 -14.041 1.00 0.00 N ATOM 1021 CA ASP P 23 11.853 -8.750 -14.099 1.00 0.00 C ATOM 1022 C ASP P 23 10.977 -9.036 -15.307 1.00 0.00 C ATOM 1023 O ASP P 23 11.284 -9.909 -16.117 1.00 0.00 O ATOM 1024 CB ASP P 23 11.052 -9.086 -12.843 1.00 0.00 C ATOM 1025 CG ASP P 23 11.580 -8.266 -11.662 1.00 0.00 C ATOM 1026 OD1 ASP P 23 11.129 -7.143 -11.494 1.00 0.00 O ATOM 1027 OD2 ASP P 23 12.427 -8.775 -10.946 1.00 0.00 O ATOM 0 H ASP P 23 11.677 -6.795 -13.399 1.00 0.00 H new ATOM 0 HA ASP P 23 12.759 -9.352 -14.172 1.00 0.00 H new ATOM 0 HB2 ASP P 23 9.996 -8.871 -13.005 1.00 0.00 H new ATOM 0 HB3 ASP P 23 11.130 -10.151 -12.623 1.00 0.00 H new ATOM 1032 N ALA P 24 9.879 -8.302 -15.411 1.00 0.00 N ATOM 1033 CA ALA P 24 8.964 -8.493 -16.514 1.00 0.00 C ATOM 1034 C ALA P 24 9.766 -8.852 -17.760 1.00 0.00 C ATOM 1035 O ALA P 24 10.335 -7.992 -18.419 1.00 0.00 O ATOM 1036 CB ALA P 24 8.159 -7.214 -16.738 1.00 0.00 C ATOM 0 H ALA P 24 9.606 -7.576 -14.749 1.00 0.00 H new ATOM 0 HA ALA P 24 8.268 -9.302 -16.293 1.00 0.00 H new ATOM 0 HB1 ALA P 24 7.470 -7.359 -17.570 1.00 0.00 H new ATOM 0 HB2 ALA P 24 7.595 -6.977 -15.836 1.00 0.00 H new ATOM 0 HB3 ALA P 24 8.838 -6.393 -16.968 1.00 0.00 H new ATOM 1042 N PRO P 25 9.868 -10.152 -18.054 1.00 0.00 N ATOM 1043 CA PRO P 25 10.645 -10.679 -19.173 1.00 0.00 C ATOM 1044 C PRO P 25 9.799 -10.977 -20.410 1.00 0.00 C ATOM 1045 O PRO P 25 8.690 -10.468 -20.563 1.00 0.00 O ATOM 1046 CB PRO P 25 11.191 -11.977 -18.580 1.00 0.00 C ATOM 1047 CG PRO P 25 10.126 -12.419 -17.570 1.00 0.00 C ATOM 1048 CD PRO P 25 9.214 -11.218 -17.296 1.00 0.00 C ATOM 0 HA PRO P 25 11.396 -9.974 -19.528 1.00 0.00 H new ATOM 0 HB2 PRO P 25 11.343 -12.732 -19.351 1.00 0.00 H new ATOM 0 HB3 PRO P 25 12.154 -11.817 -18.096 1.00 0.00 H new ATOM 0 HG2 PRO P 25 9.549 -13.255 -17.965 1.00 0.00 H new ATOM 0 HG3 PRO P 25 10.594 -12.762 -16.647 1.00 0.00 H new ATOM 0 HD2 PRO P 25 8.195 -11.395 -17.639 1.00 0.00 H new ATOM 0 HD3 PRO P 25 9.157 -10.985 -16.233 1.00 0.00 H new ATOM 1056 N GLU P 26 10.333 -11.820 -21.280 1.00 0.00 N ATOM 1057 CA GLU P 26 9.626 -12.198 -22.489 1.00 0.00 C ATOM 1058 C GLU P 26 8.451 -13.113 -22.145 1.00 0.00 C ATOM 1059 O GLU P 26 7.703 -13.539 -23.024 1.00 0.00 O ATOM 1060 CB GLU P 26 10.576 -12.932 -23.437 1.00 0.00 C ATOM 1061 CG GLU P 26 10.152 -12.679 -24.885 1.00 0.00 C ATOM 1062 CD GLU P 26 11.224 -13.220 -25.833 1.00 0.00 C ATOM 1063 OE1 GLU P 26 11.140 -14.385 -26.187 1.00 0.00 O ATOM 1064 OE2 GLU P 26 12.110 -12.461 -26.189 1.00 0.00 O ATOM 0 H GLU P 26 11.250 -12.253 -21.170 1.00 0.00 H new ATOM 0 HA GLU P 26 9.251 -11.296 -22.973 1.00 0.00 H new ATOM 0 HB2 GLU P 26 11.599 -12.588 -23.281 1.00 0.00 H new ATOM 0 HB3 GLU P 26 10.563 -14.001 -23.225 1.00 0.00 H new ATOM 0 HG2 GLU P 26 9.196 -13.164 -25.085 1.00 0.00 H new ATOM 0 HG3 GLU P 26 10.009 -11.611 -25.052 1.00 0.00 H new ATOM 1071 N ASN P 27 8.285 -13.406 -20.859 1.00 0.00 N ATOM 1072 CA ASN P 27 7.196 -14.254 -20.427 1.00 0.00 C ATOM 1073 C ASN P 27 6.358 -13.523 -19.389 1.00 0.00 C ATOM 1074 O ASN P 27 5.659 -14.137 -18.587 1.00 0.00 O ATOM 1075 CB ASN P 27 7.739 -15.555 -19.830 1.00 0.00 C ATOM 1076 CG ASN P 27 8.855 -15.240 -18.840 1.00 0.00 C ATOM 1077 OD1 ASN P 27 10.037 -14.934 -19.288 1.00 0.00 O flip ATOM 1078 ND2 ASN P 27 8.647 -15.274 -17.628 1.00 0.00 N flip ATOM 0 H ASN P 27 8.888 -13.069 -20.109 1.00 0.00 H new ATOM 0 HA ASN P 27 6.575 -14.496 -21.290 1.00 0.00 H new ATOM 0 HB2 ASN P 27 6.938 -16.099 -19.329 1.00 0.00 H new ATOM 0 HB3 ASN P 27 8.115 -16.201 -20.623 1.00 0.00 H new ATOM 0 HD21 ASN P 27 7.720 -15.514 -17.276 1.00 0.00 H new ATOM 0 HD22 ASN P 27 9.401 -15.062 -16.975 1.00 0.00 H new ATOM 1085 N ARG P 28 6.420 -12.201 -19.429 1.00 0.00 N ATOM 1086 CA ARG P 28 5.647 -11.393 -18.508 1.00 0.00 C ATOM 1087 C ARG P 28 4.178 -11.744 -18.684 1.00 0.00 C ATOM 1088 O ARG P 28 3.394 -11.756 -17.738 1.00 0.00 O ATOM 1089 CB ARG P 28 5.862 -9.914 -18.815 1.00 0.00 C ATOM 1090 CG ARG P 28 5.491 -9.085 -17.591 1.00 0.00 C ATOM 1091 CD ARG P 28 5.554 -7.600 -17.951 1.00 0.00 C ATOM 1092 NE ARG P 28 4.427 -7.269 -18.803 1.00 0.00 N ATOM 1093 CZ ARG P 28 3.240 -6.990 -18.290 1.00 0.00 C ATOM 1094 NH1 ARG P 28 3.083 -6.909 -16.999 1.00 0.00 N ATOM 1095 NH2 ARG P 28 2.229 -6.786 -19.081 1.00 0.00 N ATOM 0 H ARG P 28 6.994 -11.671 -20.085 1.00 0.00 H new ATOM 0 HA ARG P 28 5.961 -11.588 -17.482 1.00 0.00 H new ATOM 0 HB2 ARG P 28 6.902 -9.735 -19.088 1.00 0.00 H new ATOM 0 HB3 ARG P 28 5.253 -9.616 -19.668 1.00 0.00 H new ATOM 0 HG2 ARG P 28 4.489 -9.347 -17.250 1.00 0.00 H new ATOM 0 HG3 ARG P 28 6.174 -9.302 -16.770 1.00 0.00 H new ATOM 0 HD2 ARG P 28 5.532 -6.993 -17.046 1.00 0.00 H new ATOM 0 HD3 ARG P 28 6.490 -7.377 -18.462 1.00 0.00 H new ATOM 0 HE ARG P 28 4.552 -7.251 -19.815 1.00 0.00 H new ATOM 0 HH11 ARG P 28 3.878 -7.061 -16.378 1.00 0.00 H new ATOM 0 HH12 ARG P 28 2.165 -6.694 -16.609 1.00 0.00 H new ATOM 0 HH21 ARG P 28 2.353 -6.841 -20.092 1.00 0.00 H new ATOM 0 HH22 ARG P 28 1.312 -6.571 -18.691 1.00 0.00 H new ATOM 1109 N ASN P 29 3.833 -12.067 -19.916 1.00 0.00 N ATOM 1110 CA ASN P 29 2.475 -12.466 -20.239 1.00 0.00 C ATOM 1111 C ASN P 29 2.186 -13.791 -19.543 1.00 0.00 C ATOM 1112 O ASN P 29 1.231 -13.922 -18.773 1.00 0.00 O ATOM 1113 CB ASN P 29 2.324 -12.641 -21.752 1.00 0.00 C ATOM 1114 CG ASN P 29 2.817 -11.380 -22.464 1.00 0.00 C ATOM 1115 OD1 ASN P 29 2.235 -10.307 -22.314 1.00 0.00 O ATOM 1116 ND2 ASN P 29 3.866 -11.451 -23.238 1.00 0.00 N ATOM 0 H ASN P 29 4.474 -12.061 -20.710 1.00 0.00 H new ATOM 0 HA ASN P 29 1.775 -11.700 -19.905 1.00 0.00 H new ATOM 0 HB2 ASN P 29 2.895 -13.507 -22.087 1.00 0.00 H new ATOM 0 HB3 ASN P 29 1.281 -12.829 -22.005 1.00 0.00 H new ATOM 0 HD21 ASN P 29 4.203 -10.617 -23.718 1.00 0.00 H new ATOM 0 HD22 ASN P 29 4.349 -12.341 -23.362 1.00 0.00 H new ATOM 1123 N GLU P 30 3.049 -14.763 -19.794 1.00 0.00 N ATOM 1124 CA GLU P 30 2.912 -16.060 -19.165 1.00 0.00 C ATOM 1125 C GLU P 30 3.034 -15.888 -17.654 1.00 0.00 C ATOM 1126 O GLU P 30 2.659 -16.768 -16.878 1.00 0.00 O ATOM 1127 CB GLU P 30 4.007 -17.006 -19.663 1.00 0.00 C ATOM 1128 CG GLU P 30 3.946 -18.316 -18.874 1.00 0.00 C ATOM 1129 CD GLU P 30 4.568 -19.441 -19.704 1.00 0.00 C ATOM 1130 OE1 GLU P 30 3.864 -20.000 -20.528 1.00 0.00 O ATOM 1131 OE2 GLU P 30 5.737 -19.724 -19.500 1.00 0.00 O ATOM 0 H GLU P 30 3.846 -14.676 -20.425 1.00 0.00 H new ATOM 0 HA GLU P 30 1.941 -16.486 -19.417 1.00 0.00 H new ATOM 0 HB2 GLU P 30 3.876 -17.203 -20.727 1.00 0.00 H new ATOM 0 HB3 GLU P 30 4.986 -16.542 -19.543 1.00 0.00 H new ATOM 0 HG2 GLU P 30 4.479 -18.209 -17.929 1.00 0.00 H new ATOM 0 HG3 GLU P 30 2.912 -18.558 -18.631 1.00 0.00 H new ATOM 1138 N ALA P 31 3.534 -14.727 -17.242 1.00 0.00 N ATOM 1139 CA ALA P 31 3.666 -14.438 -15.835 1.00 0.00 C ATOM 1140 C ALA P 31 2.275 -14.142 -15.299 1.00 0.00 C ATOM 1141 O ALA P 31 1.816 -14.748 -14.338 1.00 0.00 O ATOM 1142 CB ALA P 31 4.587 -13.239 -15.634 1.00 0.00 C ATOM 0 H ALA P 31 3.850 -13.982 -17.864 1.00 0.00 H new ATOM 0 HA ALA P 31 4.102 -15.283 -15.303 1.00 0.00 H new ATOM 0 HB1 ALA P 31 4.681 -13.027 -14.569 1.00 0.00 H new ATOM 0 HB2 ALA P 31 5.570 -13.462 -16.048 1.00 0.00 H new ATOM 0 HB3 ALA P 31 4.168 -12.370 -16.141 1.00 0.00 H new ATOM 1148 N ASN P 32 1.585 -13.243 -15.976 1.00 0.00 N ATOM 1149 CA ASN P 32 0.223 -12.933 -15.599 1.00 0.00 C ATOM 1150 C ASN P 32 -0.549 -14.247 -15.562 1.00 0.00 C ATOM 1151 O ASN P 32 -1.432 -14.453 -14.731 1.00 0.00 O ATOM 1152 CB ASN P 32 -0.407 -11.999 -16.630 1.00 0.00 C ATOM 1153 CG ASN P 32 0.349 -10.672 -16.640 1.00 0.00 C ATOM 1154 OD1 ASN P 32 0.997 -10.319 -17.713 1.00 0.00 O flip ATOM 1155 ND2 ASN P 32 0.351 -9.942 -15.650 1.00 0.00 N flip ATOM 0 H ASN P 32 1.940 -12.722 -16.778 1.00 0.00 H new ATOM 0 HA ASN P 32 0.199 -12.438 -14.628 1.00 0.00 H new ATOM 0 HB2 ASN P 32 -0.375 -12.456 -17.619 1.00 0.00 H new ATOM 0 HB3 ASN P 32 -1.457 -11.830 -16.391 1.00 0.00 H new ATOM 0 HD21 ASN P 32 -0.157 -10.220 -14.810 1.00 0.00 H new ATOM 0 HD22 ASN P 32 0.861 -9.059 -15.669 1.00 0.00 H new ATOM 1162 N GLU P 33 -0.170 -15.146 -16.464 1.00 0.00 N ATOM 1163 CA GLU P 33 -0.789 -16.462 -16.527 1.00 0.00 C ATOM 1164 C GLU P 33 -0.508 -17.215 -15.225 1.00 0.00 C ATOM 1165 O GLU P 33 -1.396 -17.840 -14.648 1.00 0.00 O ATOM 1166 CB GLU P 33 -0.216 -17.252 -17.705 1.00 0.00 C ATOM 1167 CG GLU P 33 -1.200 -18.352 -18.109 1.00 0.00 C ATOM 1168 CD GLU P 33 -0.429 -19.538 -18.691 1.00 0.00 C ATOM 1169 OE1 GLU P 33 -0.188 -19.533 -19.887 1.00 0.00 O ATOM 1170 OE2 GLU P 33 -0.092 -20.431 -17.931 1.00 0.00 O ATOM 0 H GLU P 33 0.560 -14.987 -17.158 1.00 0.00 H new ATOM 0 HA GLU P 33 -1.864 -16.348 -16.663 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -0.032 -16.586 -18.548 1.00 0.00 H new ATOM 0 HB3 GLU P 33 0.743 -17.691 -17.430 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -1.780 -18.671 -17.243 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -1.908 -17.969 -18.844 1.00 0.00 H new ATOM 1177 N ASN P 34 0.728 -17.112 -14.749 1.00 0.00 N ATOM 1178 CA ASN P 34 1.107 -17.740 -13.502 1.00 0.00 C ATOM 1179 C ASN P 34 1.038 -16.679 -12.407 1.00 0.00 C ATOM 1180 O ASN P 34 1.590 -16.819 -11.315 1.00 0.00 O ATOM 1181 CB ASN P 34 2.521 -18.306 -13.622 1.00 0.00 C ATOM 1182 CG ASN P 34 3.477 -17.525 -12.735 1.00 0.00 C ATOM 1183 OD1 ASN P 34 3.759 -16.304 -13.053 1.00 0.00 O flip ATOM 1184 ND2 ASN P 34 3.973 -18.037 -11.733 1.00 0.00 N flip ATOM 0 H ASN P 34 1.479 -16.599 -15.211 1.00 0.00 H new ATOM 0 HA ASN P 34 0.436 -18.564 -13.260 1.00 0.00 H new ATOM 0 HB2 ASN P 34 2.525 -19.358 -13.336 1.00 0.00 H new ATOM 0 HB3 ASN P 34 2.853 -18.257 -14.659 1.00 0.00 H new ATOM 0 HD21 ASN P 34 3.747 -19.001 -11.487 1.00 0.00 H new ATOM 0 HD22 ASN P 34 4.611 -17.498 -11.147 1.00 0.00 H new ATOM 1191 N GLY P 35 0.333 -15.613 -12.741 1.00 0.00 N ATOM 1192 CA GLY P 35 0.146 -14.489 -11.850 1.00 0.00 C ATOM 1193 C GLY P 35 1.418 -13.665 -11.667 1.00 0.00 C ATOM 1194 O GLY P 35 2.299 -14.001 -10.877 1.00 0.00 O ATOM 0 H GLY P 35 -0.128 -15.505 -13.645 1.00 0.00 H new ATOM 0 HA2 GLY P 35 -0.644 -13.848 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY P 35 -0.190 -14.852 -10.879 1.00 0.00 H new ATOM 1198 N TRP P 36 1.473 -12.558 -12.397 1.00 0.00 N ATOM 1199 CA TRP P 36 2.594 -11.640 -12.321 1.00 0.00 C ATOM 1200 C TRP P 36 2.185 -10.482 -11.401 1.00 0.00 C ATOM 1201 O TRP P 36 1.792 -10.716 -10.259 1.00 0.00 O ATOM 1202 CB TRP P 36 2.946 -11.140 -13.739 1.00 0.00 C ATOM 1203 CG TRP P 36 4.089 -10.160 -13.707 1.00 0.00 C ATOM 1204 CD1 TRP P 36 4.348 -9.237 -14.668 1.00 0.00 C ATOM 1205 CD2 TRP P 36 5.115 -9.975 -12.691 1.00 0.00 C ATOM 1206 NE1 TRP P 36 5.458 -8.507 -14.302 1.00 0.00 N ATOM 1207 CE2 TRP P 36 5.968 -8.924 -13.100 1.00 0.00 C ATOM 1208 CE3 TRP P 36 5.392 -10.605 -11.473 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 7.051 -8.513 -12.333 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 6.485 -10.192 -10.690 1.00 0.00 C ATOM 1211 CH2 TRP P 36 7.313 -9.148 -11.122 1.00 0.00 C ATOM 0 H TRP P 36 0.745 -12.276 -13.053 1.00 0.00 H new ATOM 0 HA TRP P 36 3.481 -12.127 -11.915 1.00 0.00 H new ATOM 0 HB2 TRP P 36 3.209 -11.988 -14.371 1.00 0.00 H new ATOM 0 HB3 TRP P 36 2.072 -10.668 -14.188 1.00 0.00 H new ATOM 0 HD1 TRP P 36 3.776 -9.097 -15.574 1.00 0.00 H new ATOM 0 HE1 TRP P 36 5.852 -7.748 -14.858 1.00 0.00 H new ATOM 0 HE3 TRP P 36 4.763 -11.414 -11.132 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 7.685 -7.707 -12.673 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 6.687 -10.683 -9.750 1.00 0.00 H new ATOM 0 HH2 TRP P 36 8.152 -8.837 -10.518 1.00 0.00 H new ATOM 1222 N VAL P 37 2.242 -9.250 -11.886 1.00 0.00 N ATOM 1223 CA VAL P 37 1.840 -8.108 -11.070 1.00 0.00 C ATOM 1224 C VAL P 37 2.499 -6.826 -11.577 1.00 0.00 C ATOM 1225 O VAL P 37 1.895 -6.051 -12.317 1.00 0.00 O ATOM 1226 CB VAL P 37 2.229 -8.335 -9.603 1.00 0.00 C ATOM 1227 CG1 VAL P 37 3.570 -9.067 -9.523 1.00 0.00 C ATOM 1228 CG2 VAL P 37 2.347 -6.983 -8.896 1.00 0.00 C ATOM 0 H VAL P 37 2.558 -9.015 -12.827 1.00 0.00 H new ATOM 0 HA VAL P 37 0.757 -8.005 -11.144 1.00 0.00 H new ATOM 0 HB VAL P 37 1.462 -8.940 -9.119 1.00 0.00 H new ATOM 0 HG11 VAL P 37 3.837 -9.223 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL P 37 3.489 -10.031 -10.025 1.00 0.00 H new ATOM 0 HG13 VAL P 37 4.341 -8.469 -10.009 1.00 0.00 H new ATOM 0 HG21 VAL P 37 2.623 -7.140 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL P 37 3.112 -6.381 -9.387 1.00 0.00 H new ATOM 0 HG23 VAL P 37 1.390 -6.463 -8.943 1.00 0.00 H new ATOM 1238 N SER P 38 3.739 -6.611 -11.175 1.00 0.00 N ATOM 1239 CA SER P 38 4.469 -5.435 -11.589 1.00 0.00 C ATOM 1240 C SER P 38 5.935 -5.571 -11.188 1.00 0.00 C ATOM 1241 O SER P 38 6.259 -5.759 -10.018 1.00 0.00 O ATOM 1242 CB SER P 38 3.875 -4.195 -10.928 1.00 0.00 C ATOM 1243 OG SER P 38 2.522 -4.045 -11.340 1.00 0.00 O ATOM 0 H SER P 38 4.259 -7.239 -10.561 1.00 0.00 H new ATOM 0 HA SER P 38 4.396 -5.335 -12.672 1.00 0.00 H new ATOM 0 HB2 SER P 38 3.929 -4.286 -9.843 1.00 0.00 H new ATOM 0 HB3 SER P 38 4.451 -3.311 -11.203 1.00 0.00 H new ATOM 0 HG SER P 38 2.377 -4.539 -12.174 1.00 0.00 H new ATOM 1249 N CYS P 39 6.811 -5.477 -12.166 1.00 0.00 N ATOM 1250 CA CYS P 39 8.228 -5.587 -11.911 1.00 0.00 C ATOM 1251 C CYS P 39 8.621 -4.597 -10.823 1.00 0.00 C ATOM 1252 O CYS P 39 7.766 -3.955 -10.223 1.00 0.00 O ATOM 1253 CB CYS P 39 9.012 -5.305 -13.195 1.00 0.00 C ATOM 1254 SG CYS P 39 8.653 -3.628 -13.772 1.00 0.00 S ATOM 0 H CYS P 39 6.565 -5.325 -13.144 1.00 0.00 H new ATOM 0 HA CYS P 39 8.462 -6.598 -11.577 1.00 0.00 H new ATOM 0 HB2 CYS P 39 10.081 -5.416 -13.012 1.00 0.00 H new ATOM 0 HB3 CYS P 39 8.743 -6.030 -13.963 1.00 0.00 H new ATOM 0 HG CYS P 39 8.359 -3.658 -15.038 1.00 0.00 H new ATOM 1259 N SER P 40 9.904 -4.480 -10.563 1.00 0.00 N ATOM 1260 CA SER P 40 10.358 -3.567 -9.524 1.00 0.00 C ATOM 1261 C SER P 40 10.031 -2.121 -9.894 1.00 0.00 C ATOM 1262 O SER P 40 9.872 -1.256 -9.029 1.00 0.00 O ATOM 1263 CB SER P 40 11.866 -3.712 -9.328 1.00 0.00 C ATOM 1264 OG SER P 40 12.535 -2.701 -10.070 1.00 0.00 O ATOM 0 H SER P 40 10.644 -4.993 -11.043 1.00 0.00 H new ATOM 0 HA SER P 40 9.842 -3.818 -8.598 1.00 0.00 H new ATOM 0 HB2 SER P 40 12.117 -3.629 -8.270 1.00 0.00 H new ATOM 0 HB3 SER P 40 12.194 -4.698 -9.657 1.00 0.00 H new ATOM 0 HG SER P 40 13.503 -2.790 -9.945 1.00 0.00 H new ATOM 1270 N ASN P 41 9.930 -1.874 -11.184 1.00 0.00 N ATOM 1271 CA ASN P 41 9.627 -0.543 -11.683 1.00 0.00 C ATOM 1272 C ASN P 41 8.151 -0.220 -11.501 1.00 0.00 C ATOM 1273 O ASN P 41 7.767 0.502 -10.579 1.00 0.00 O ATOM 1274 CB ASN P 41 9.963 -0.480 -13.159 1.00 0.00 C ATOM 1275 CG ASN P 41 11.471 -0.366 -13.329 1.00 0.00 C ATOM 1276 OD1 ASN P 41 11.996 0.730 -13.504 1.00 0.00 O ATOM 1277 ND2 ASN P 41 12.200 -1.447 -13.279 1.00 0.00 N ATOM 0 H ASN P 41 10.053 -2.579 -11.911 1.00 0.00 H new ATOM 0 HA ASN P 41 10.218 0.182 -11.123 1.00 0.00 H new ATOM 0 HB2 ASN P 41 9.595 -1.372 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN P 41 9.468 0.375 -13.620 1.00 0.00 H new ATOM 0 HD21 ASN P 41 13.213 -1.385 -13.386 1.00 0.00 H new ATOM 0 HD22 ASN P 41 11.757 -2.354 -13.133 1.00 0.00 H new ATOM 1284 N CYS P 42 7.319 -0.772 -12.376 1.00 0.00 N ATOM 1285 CA CYS P 42 5.894 -0.535 -12.271 1.00 0.00 C ATOM 1286 C CYS P 42 5.493 -0.640 -10.804 1.00 0.00 C ATOM 1287 O CYS P 42 4.498 -0.064 -10.368 1.00 0.00 O ATOM 1288 CB CYS P 42 5.112 -1.568 -13.095 1.00 0.00 C ATOM 1289 SG CYS P 42 5.669 -1.548 -14.823 1.00 0.00 S ATOM 0 H CYS P 42 7.603 -1.374 -13.149 1.00 0.00 H new ATOM 0 HA CYS P 42 5.662 0.457 -12.658 1.00 0.00 H new ATOM 0 HB2 CYS P 42 5.253 -2.563 -12.672 1.00 0.00 H new ATOM 0 HB3 CYS P 42 4.045 -1.349 -13.047 1.00 0.00 H new ATOM 0 HG CYS P 42 6.780 -2.214 -14.928 1.00 0.00 H new ATOM 1294 N LYS P 43 6.290 -1.384 -10.050 1.00 0.00 N ATOM 1295 CA LYS P 43 6.035 -1.569 -8.638 1.00 0.00 C ATOM 1296 C LYS P 43 6.253 -0.277 -7.856 1.00 0.00 C ATOM 1297 O LYS P 43 5.316 0.273 -7.298 1.00 0.00 O ATOM 1298 CB LYS P 43 6.973 -2.636 -8.079 1.00 0.00 C ATOM 1299 CG LYS P 43 6.325 -4.009 -8.217 1.00 0.00 C ATOM 1300 CD LYS P 43 5.512 -4.323 -6.960 1.00 0.00 C ATOM 1301 CE LYS P 43 4.692 -5.594 -7.186 1.00 0.00 C ATOM 1302 NZ LYS P 43 4.361 -6.212 -5.871 1.00 0.00 N ATOM 0 H LYS P 43 7.118 -1.868 -10.398 1.00 0.00 H new ATOM 0 HA LYS P 43 4.995 -1.876 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS P 43 7.923 -2.616 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS P 43 7.192 -2.430 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS P 43 5.679 -4.031 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS P 43 7.091 -4.770 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS P 43 6.178 -4.454 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS P 43 4.851 -3.489 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS P 43 3.777 -5.358 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS P 43 5.254 -6.298 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 3.803 -7.076 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 5.240 -6.451 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 3.809 -5.540 -5.301 1.00 0.00 H new ATOM 1316 N ARG P 44 7.496 0.188 -7.807 1.00 0.00 N ATOM 1317 CA ARG P 44 7.825 1.388 -7.051 1.00 0.00 C ATOM 1318 C ARG P 44 7.020 2.599 -7.524 1.00 0.00 C ATOM 1319 O ARG P 44 6.767 3.523 -6.759 1.00 0.00 O ATOM 1320 CB ARG P 44 9.313 1.671 -7.237 1.00 0.00 C ATOM 1321 CG ARG P 44 10.109 0.434 -6.824 1.00 0.00 C ATOM 1322 CD ARG P 44 11.490 0.463 -7.483 1.00 0.00 C ATOM 1323 NE ARG P 44 12.406 1.210 -6.641 1.00 0.00 N ATOM 1324 CZ ARG P 44 12.595 0.856 -5.370 1.00 0.00 C ATOM 1325 NH1 ARG P 44 12.060 -0.243 -4.909 1.00 0.00 N ATOM 1326 NH2 ARG P 44 13.348 1.578 -4.590 1.00 0.00 N ATOM 0 H ARG P 44 8.289 -0.246 -8.280 1.00 0.00 H new ATOM 0 HA ARG P 44 7.579 1.219 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG P 44 9.521 1.923 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG P 44 9.611 2.529 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG P 44 10.214 0.403 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG P 44 9.574 -0.469 -7.118 1.00 0.00 H new ATOM 0 HD2 ARG P 44 11.858 -0.553 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG P 44 11.426 0.924 -8.469 1.00 0.00 H new ATOM 0 HE ARG P 44 12.908 2.011 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG P 44 11.496 -0.832 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG P 44 12.206 -0.512 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG P 44 13.797 2.420 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG P 44 13.489 1.302 -3.618 1.00 0.00 H new ATOM 1340 N TRP P 45 6.640 2.589 -8.782 1.00 0.00 N ATOM 1341 CA TRP P 45 5.876 3.696 -9.352 1.00 0.00 C ATOM 1342 C TRP P 45 4.498 3.258 -9.828 1.00 0.00 C ATOM 1343 O TRP P 45 3.884 3.917 -10.665 1.00 0.00 O ATOM 1344 CB TRP P 45 6.676 4.276 -10.502 1.00 0.00 C ATOM 1345 CG TRP P 45 7.969 4.644 -9.904 1.00 0.00 C ATOM 1346 CD1 TRP P 45 8.072 5.201 -8.692 1.00 0.00 C ATOM 1347 CD2 TRP P 45 9.320 4.465 -10.406 1.00 0.00 C ATOM 1348 NE1 TRP P 45 9.389 5.377 -8.392 1.00 0.00 N ATOM 1349 CE2 TRP P 45 10.219 4.954 -9.425 1.00 0.00 C ATOM 1350 CE3 TRP P 45 9.854 3.941 -11.598 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 11.603 4.917 -9.634 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 11.243 3.904 -11.798 1.00 0.00 C ATOM 1353 CH2 TRP P 45 12.110 4.395 -10.815 1.00 0.00 C ATOM 0 H TRP P 45 6.843 1.832 -9.435 1.00 0.00 H new ATOM 0 HA TRP P 45 5.711 4.448 -8.580 1.00 0.00 H new ATOM 0 HB2 TRP P 45 6.802 3.549 -11.304 1.00 0.00 H new ATOM 0 HB3 TRP P 45 6.178 5.144 -10.934 1.00 0.00 H new ATOM 0 HD1 TRP P 45 7.243 5.468 -8.053 1.00 0.00 H new ATOM 0 HE1 TRP P 45 9.726 5.772 -7.514 1.00 0.00 H new ATOM 0 HE3 TRP P 45 9.191 3.565 -12.363 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 12.275 5.294 -8.877 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 11.644 3.495 -12.714 1.00 0.00 H new ATOM 0 HH2 TRP P 45 13.177 4.367 -10.977 1.00 0.00 H new ATOM 1364 N ASN P 46 4.019 2.158 -9.270 1.00 0.00 N ATOM 1365 CA ASN P 46 2.704 1.642 -9.622 1.00 0.00 C ATOM 1366 C ASN P 46 2.360 2.050 -11.049 1.00 0.00 C ATOM 1367 O ASN P 46 1.279 2.563 -11.330 1.00 0.00 O ATOM 1368 CB ASN P 46 1.663 2.201 -8.658 1.00 0.00 C ATOM 1369 CG ASN P 46 1.324 3.635 -9.041 1.00 0.00 C ATOM 1370 OD1 ASN P 46 0.294 3.896 -9.661 1.00 0.00 O ATOM 1371 ND2 ASN P 46 2.141 4.584 -8.702 1.00 0.00 N ATOM 0 H ASN P 46 4.519 1.606 -8.573 1.00 0.00 H new ATOM 0 HA ASN P 46 2.710 0.554 -9.553 1.00 0.00 H new ATOM 0 HB2 ASN P 46 0.764 1.586 -8.683 1.00 0.00 H new ATOM 0 HB3 ASN P 46 2.044 2.168 -7.637 1.00 0.00 H new ATOM 0 HD21 ASN P 46 1.930 5.551 -8.949 1.00 0.00 H new ATOM 0 HD22 ASN P 46 2.994 4.363 -8.188 1.00 0.00 H new ATOM 1378 N LYS P 47 3.316 1.847 -11.934 1.00 0.00 N ATOM 1379 CA LYS P 47 3.149 2.225 -13.326 1.00 0.00 C ATOM 1380 C LYS P 47 2.184 1.286 -14.058 1.00 0.00 C ATOM 1381 O LYS P 47 1.035 1.130 -13.648 1.00 0.00 O ATOM 1382 CB LYS P 47 4.510 2.215 -14.012 1.00 0.00 C ATOM 1383 CG LYS P 47 5.379 3.339 -13.443 1.00 0.00 C ATOM 1384 CD LYS P 47 5.643 4.383 -14.530 1.00 0.00 C ATOM 1385 CE LYS P 47 4.321 5.020 -14.960 1.00 0.00 C ATOM 1386 NZ LYS P 47 3.860 5.970 -13.908 1.00 0.00 N ATOM 0 H LYS P 47 4.217 1.422 -11.715 1.00 0.00 H new ATOM 0 HA LYS P 47 2.719 3.226 -13.361 1.00 0.00 H new ATOM 0 HB2 LYS P 47 4.998 1.252 -13.861 1.00 0.00 H new ATOM 0 HB3 LYS P 47 4.388 2.345 -15.087 1.00 0.00 H new ATOM 0 HG2 LYS P 47 4.880 3.803 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS P 47 6.322 2.934 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS P 47 6.323 5.149 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS P 47 6.129 3.916 -15.387 1.00 0.00 H new ATOM 0 HE2 LYS P 47 4.449 5.544 -15.907 1.00 0.00 H new ATOM 0 HE3 LYS P 47 3.569 4.248 -15.122 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 3.069 6.537 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 3.545 5.437 -13.073 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 4.644 6.600 -13.641 1.00 0.00 H new ATOM 1400 N ASP P 48 2.634 0.682 -15.153 1.00 0.00 N ATOM 1401 CA ASP P 48 1.760 -0.198 -15.913 1.00 0.00 C ATOM 1402 C ASP P 48 2.523 -1.362 -16.554 1.00 0.00 C ATOM 1403 O ASP P 48 2.642 -1.441 -17.774 1.00 0.00 O ATOM 1404 CB ASP P 48 1.064 0.604 -17.014 1.00 0.00 C ATOM 1405 CG ASP P 48 -0.304 -0.013 -17.309 1.00 0.00 C ATOM 1406 OD1 ASP P 48 -1.017 -0.304 -16.363 1.00 0.00 O ATOM 1407 OD2 ASP P 48 -0.616 -0.183 -18.476 1.00 0.00 O ATOM 0 H ASP P 48 3.578 0.783 -15.526 1.00 0.00 H new ATOM 0 HA ASP P 48 1.032 -0.616 -15.217 1.00 0.00 H new ATOM 0 HB2 ASP P 48 0.947 1.642 -16.703 1.00 0.00 H new ATOM 0 HB3 ASP P 48 1.675 0.608 -17.917 1.00 0.00 H new ATOM 1412 N CYS P 49 3.004 -2.275 -15.724 1.00 0.00 N ATOM 1413 CA CYS P 49 3.713 -3.448 -16.208 1.00 0.00 C ATOM 1414 C CYS P 49 3.054 -3.932 -17.490 1.00 0.00 C ATOM 1415 O CYS P 49 2.109 -4.717 -17.449 1.00 0.00 O ATOM 1416 CB CYS P 49 3.605 -4.564 -15.161 1.00 0.00 C ATOM 1417 SG CYS P 49 5.194 -5.398 -14.983 1.00 0.00 S ATOM 0 H CYS P 49 2.915 -2.225 -14.709 1.00 0.00 H new ATOM 0 HA CYS P 49 4.758 -3.196 -16.390 1.00 0.00 H new ATOM 0 HB2 CYS P 49 3.295 -4.147 -14.203 1.00 0.00 H new ATOM 0 HB3 CYS P 49 2.840 -5.281 -15.459 1.00 0.00 H new ATOM 0 HG CYS P 49 6.065 -4.847 -15.775 1.00 0.00 H new ATOM 1422 N THR P 50 3.524 -3.451 -18.628 1.00 0.00 N ATOM 1423 CA THR P 50 2.906 -3.861 -19.870 1.00 0.00 C ATOM 1424 C THR P 50 3.916 -4.271 -20.932 1.00 0.00 C ATOM 1425 O THR P 50 4.902 -3.563 -21.215 1.00 0.00 O ATOM 1426 CB THR P 50 2.030 -2.739 -20.419 1.00 0.00 C ATOM 1427 OG1 THR P 50 2.706 -1.508 -20.275 1.00 0.00 O ATOM 1428 CG2 THR P 50 0.719 -2.703 -19.644 1.00 0.00 C ATOM 0 H THR P 50 4.304 -2.799 -18.716 1.00 0.00 H new ATOM 0 HA THR P 50 2.302 -4.738 -19.637 1.00 0.00 H new ATOM 0 HB THR P 50 1.821 -2.913 -21.474 1.00 0.00 H new ATOM 0 HG1 THR P 50 2.490 -1.117 -19.403 1.00 0.00 H new ATOM 0 HG21 THR P 50 0.089 -1.903 -20.032 1.00 0.00 H new ATOM 0 HG22 THR P 50 0.204 -3.657 -19.756 1.00 0.00 H new ATOM 0 HG23 THR P 50 0.925 -2.523 -18.589 1.00 0.00 H new ATOM 1436 N PHE P 51 3.605 -5.421 -21.519 1.00 0.00 N ATOM 1437 CA PHE P 51 4.365 -6.031 -22.593 1.00 0.00 C ATOM 1438 C PHE P 51 3.357 -6.374 -23.701 1.00 0.00 C ATOM 1439 O PHE P 51 3.567 -7.271 -24.516 1.00 0.00 O ATOM 1440 CB PHE P 51 5.006 -7.352 -22.124 1.00 0.00 C ATOM 1441 CG PHE P 51 6.289 -7.107 -21.366 1.00 0.00 C ATOM 1442 CD1 PHE P 51 6.438 -5.964 -20.586 1.00 0.00 C ATOM 1443 CD2 PHE P 51 7.338 -8.033 -21.447 1.00 0.00 C ATOM 1444 CE1 PHE P 51 7.622 -5.737 -19.894 1.00 0.00 C ATOM 1445 CE2 PHE P 51 8.528 -7.804 -20.744 1.00 0.00 C ATOM 1446 CZ PHE P 51 8.667 -6.653 -19.970 1.00 0.00 C ATOM 0 H PHE P 51 2.789 -5.969 -21.248 1.00 0.00 H new ATOM 0 HA PHE P 51 5.151 -5.353 -22.926 1.00 0.00 H new ATOM 0 HB2 PHE P 51 4.304 -7.892 -21.488 1.00 0.00 H new ATOM 0 HB3 PHE P 51 5.208 -7.986 -22.987 1.00 0.00 H new ATOM 0 HD1 PHE P 51 5.630 -5.250 -20.518 1.00 0.00 H new ATOM 0 HD2 PHE P 51 7.229 -8.922 -22.051 1.00 0.00 H new ATOM 0 HE1 PHE P 51 7.732 -4.845 -19.294 1.00 0.00 H new ATOM 0 HE2 PHE P 51 9.336 -8.518 -20.802 1.00 0.00 H new ATOM 0 HZ PHE P 51 9.585 -6.472 -19.430 1.00 0.00 H new ATOM 1456 N ASN P 52 2.236 -5.663 -23.669 1.00 0.00 N ATOM 1457 CA ASN P 52 1.137 -5.887 -24.604 1.00 0.00 C ATOM 1458 C ASN P 52 1.199 -4.905 -25.746 1.00 0.00 C ATOM 1459 O ASN P 52 1.633 -5.239 -26.845 1.00 0.00 O ATOM 1460 CB ASN P 52 -0.173 -5.702 -23.863 1.00 0.00 C ATOM 1461 CG ASN P 52 -0.039 -6.370 -22.513 1.00 0.00 C ATOM 1462 OD1 ASN P 52 0.687 -5.785 -21.618 1.00 0.00 O flip ATOM 1463 ND2 ASN P 52 -0.601 -7.436 -22.268 1.00 0.00 N flip ATOM 0 H ASN P 52 2.062 -4.916 -22.996 1.00 0.00 H new ATOM 0 HA ASN P 52 1.213 -6.896 -25.008 1.00 0.00 H new ATOM 0 HB2 ASN P 52 -0.398 -4.642 -23.744 1.00 0.00 H new ATOM 0 HB3 ASN P 52 -0.996 -6.141 -24.427 1.00 0.00 H new ATOM 0 HD21 ASN P 52 -1.171 -7.888 -22.983 1.00 0.00 H new ATOM 0 HD22 ASN P 52 -0.497 -7.868 -21.350 1.00 0.00 H new ATOM 1470 N TRP P 53 0.831 -3.669 -25.456 1.00 0.00 N ATOM 1471 CA TRP P 53 0.936 -2.633 -26.446 1.00 0.00 C ATOM 1472 C TRP P 53 2.283 -2.856 -27.116 1.00 0.00 C ATOM 1473 O TRP P 53 2.487 -2.556 -28.289 1.00 0.00 O ATOM 1474 CB TRP P 53 0.979 -1.297 -25.726 1.00 0.00 C ATOM 1475 CG TRP P 53 2.151 -1.395 -24.826 1.00 0.00 C ATOM 1476 CD1 TRP P 53 2.200 -2.160 -23.717 1.00 0.00 C ATOM 1477 CD2 TRP P 53 3.457 -0.781 -24.964 1.00 0.00 C ATOM 1478 NE1 TRP P 53 3.454 -2.083 -23.178 1.00 0.00 N ATOM 1479 CE2 TRP P 53 4.271 -1.230 -23.899 1.00 0.00 C ATOM 1480 CE3 TRP P 53 4.013 0.112 -25.898 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 5.589 -0.810 -23.770 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 5.341 0.541 -25.764 1.00 0.00 C ATOM 1483 CH2 TRP P 53 6.127 0.080 -24.702 1.00 0.00 C ATOM 0 H TRP P 53 0.463 -3.369 -24.553 1.00 0.00 H new ATOM 0 HA TRP P 53 0.109 -2.645 -27.156 1.00 0.00 H new ATOM 0 HB2 TRP P 53 1.087 -0.471 -26.429 1.00 0.00 H new ATOM 0 HB3 TRP P 53 0.062 -1.120 -25.164 1.00 0.00 H new ATOM 0 HD1 TRP P 53 1.381 -2.740 -23.319 1.00 0.00 H new ATOM 0 HE1 TRP P 53 3.751 -2.592 -22.346 1.00 0.00 H new ATOM 0 HE3 TRP P 53 3.414 0.469 -26.723 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 6.195 -1.170 -22.952 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 5.759 1.230 -26.483 1.00 0.00 H new ATOM 0 HH2 TRP P 53 7.150 0.413 -24.603 1.00 0.00 H new ATOM 1494 N LEU P 54 3.196 -3.420 -26.315 1.00 0.00 N ATOM 1495 CA LEU P 54 4.537 -3.729 -26.771 1.00 0.00 C ATOM 1496 C LEU P 54 4.498 -4.891 -27.762 1.00 0.00 C ATOM 1497 O LEU P 54 5.031 -4.799 -28.867 1.00 0.00 O ATOM 1498 CB LEU P 54 5.422 -4.079 -25.555 1.00 0.00 C ATOM 1499 CG LEU P 54 5.880 -5.549 -25.574 1.00 0.00 C ATOM 1500 CD1 LEU P 54 6.714 -5.849 -26.826 1.00 0.00 C ATOM 1501 CD2 LEU P 54 6.760 -5.807 -24.355 1.00 0.00 C ATOM 0 H LEU P 54 3.018 -3.669 -25.342 1.00 0.00 H new ATOM 0 HA LEU P 54 4.960 -2.862 -27.279 1.00 0.00 H new ATOM 0 HB2 LEU P 54 6.296 -3.428 -25.544 1.00 0.00 H new ATOM 0 HB3 LEU P 54 4.868 -3.884 -24.637 1.00 0.00 H new ATOM 0 HG LEU P 54 4.994 -6.184 -25.569 1.00 0.00 H new ATOM 0 HD11 LEU P 54 7.025 -6.894 -26.814 1.00 0.00 H new ATOM 0 HD12 LEU P 54 6.115 -5.658 -27.716 1.00 0.00 H new ATOM 0 HD13 LEU P 54 7.596 -5.208 -26.838 1.00 0.00 H new ATOM 0 HD21 LEU P 54 7.090 -6.846 -24.358 1.00 0.00 H new ATOM 0 HD22 LEU P 54 7.629 -5.150 -24.388 1.00 0.00 H new ATOM 0 HD23 LEU P 54 6.190 -5.610 -23.447 1.00 0.00 H new ATOM 1513 N SER P 55 3.877 -5.986 -27.359 1.00 0.00 N ATOM 1514 CA SER P 55 3.789 -7.148 -28.229 1.00 0.00 C ATOM 1515 C SER P 55 3.067 -6.779 -29.526 1.00 0.00 C ATOM 1516 O SER P 55 3.095 -7.526 -30.503 1.00 0.00 O ATOM 1517 CB SER P 55 3.027 -8.270 -27.524 1.00 0.00 C ATOM 1518 OG SER P 55 2.860 -9.360 -28.422 1.00 0.00 O ATOM 0 H SER P 55 3.432 -6.096 -26.448 1.00 0.00 H new ATOM 0 HA SER P 55 4.798 -7.488 -28.463 1.00 0.00 H new ATOM 0 HB2 SER P 55 3.572 -8.594 -26.637 1.00 0.00 H new ATOM 0 HB3 SER P 55 2.055 -7.909 -27.187 1.00 0.00 H new ATOM 0 HG SER P 55 2.373 -10.082 -27.973 1.00 0.00 H new ATOM 1524 N SER P 56 2.425 -5.620 -29.525 1.00 0.00 N ATOM 1525 CA SER P 56 1.707 -5.156 -30.697 1.00 0.00 C ATOM 1526 C SER P 56 2.314 -3.851 -31.215 1.00 0.00 C ATOM 1527 O SER P 56 1.941 -3.360 -32.279 1.00 0.00 O ATOM 1528 CB SER P 56 0.238 -4.923 -30.343 1.00 0.00 C ATOM 1529 OG SER P 56 -0.260 -6.051 -29.635 1.00 0.00 O ATOM 0 H SER P 56 2.388 -4.987 -28.726 1.00 0.00 H new ATOM 0 HA SER P 56 1.784 -5.916 -31.474 1.00 0.00 H new ATOM 0 HB2 SER P 56 0.137 -4.024 -29.735 1.00 0.00 H new ATOM 0 HB3 SER P 56 -0.345 -4.762 -31.250 1.00 0.00 H new ATOM 0 HG SER P 56 -1.201 -5.904 -29.405 1.00 0.00 H new ATOM 1535 N GLN P 57 3.252 -3.291 -30.459 1.00 0.00 N ATOM 1536 CA GLN P 57 3.889 -2.048 -30.868 1.00 0.00 C ATOM 1537 C GLN P 57 5.071 -2.326 -31.795 1.00 0.00 C ATOM 1538 O GLN P 57 5.146 -1.789 -32.899 1.00 0.00 O ATOM 1539 CB GLN P 57 4.385 -1.273 -29.646 1.00 0.00 C ATOM 1540 CG GLN P 57 5.138 -0.024 -30.114 1.00 0.00 C ATOM 1541 CD GLN P 57 6.015 0.508 -28.980 1.00 0.00 C ATOM 1542 OE1 GLN P 57 5.817 1.626 -28.507 1.00 0.00 O ATOM 1543 NE2 GLN P 57 6.983 -0.234 -28.517 1.00 0.00 N ATOM 0 H GLN P 57 3.583 -3.672 -29.573 1.00 0.00 H new ATOM 0 HA GLN P 57 3.147 -1.453 -31.400 1.00 0.00 H new ATOM 0 HB2 GLN P 57 3.543 -0.989 -29.014 1.00 0.00 H new ATOM 0 HB3 GLN P 57 5.039 -1.902 -29.042 1.00 0.00 H new ATOM 0 HG2 GLN P 57 5.754 -0.263 -30.981 1.00 0.00 H new ATOM 0 HG3 GLN P 57 4.430 0.742 -30.428 1.00 0.00 H new ATOM 0 HE21 GLN P 57 7.147 -1.161 -28.909 1.00 0.00 H new ATOM 0 HE22 GLN P 57 7.576 0.113 -27.763 1.00 0.00 H new