USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 12 CYS SG : rot -109:sc= -0.207 USER MOD Set 1.2: P 15 CYS SG : rot 126:sc= -6.34! USER MOD Set 1.3: P 22 CYS SG : rot 163:sc= -2.04! USER MOD Set 1.4: P 39 CYS SG : rot -120:sc= 0.446 USER MOD Set 1.5: P 42 CYS SG : rot -119:sc= -6.25! USER MOD Set 1.6: P 49 CYS SG : rot -176:sc= -1.54! USER MOD Single : P 8 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.15) USER MOD Single : P 9 ASN : amide:sc= -6.49! C(o=-6.5!,f=-11!) USER MOD Single : P 10 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-3!) USER MOD Single : P 11 SER OG : rot 180:sc= 0 USER MOD Single : P 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 27 ASN : amide:sc= -2.02! K(o=-2!,f=-0.1) USER MOD Single : P 29 ASN : amide:sc= -4.28! C(o=-4.3!,f=-9!) USER MOD Single : P 32 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.2!) USER MOD Single : P 34 ASN : amide:sc= -7.95! C(o=-7.9!,f=-3.7!) USER MOD Single : P 38 SER OG : rot -170:sc= -3.33! USER MOD Single : P 40 SER OG : rot 180:sc= 0 USER MOD Single : P 41 ASN : amide:sc= -12.4! C(o=-12!,f=-16!) USER MOD Single : P 43 LYS NZ :NH3+ -162:sc= -0.0219 (180deg=-0.341) USER MOD Single : P 46 ASN : amide:sc= -0.657 K(o=-0.66,f=-3.2!) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -73:sc= -3.41! USER MOD Single : P 52 ASN : amide:sc= -7.68! K(o=-7.7!,f=-0.76) 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= -0.532 X(o=-0.53,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 -2.315 14.443 -24.770 1.00 0.00 N ATOM 734 CA ARG P 6 -2.883 15.784 -24.752 1.00 0.00 C ATOM 735 C ARG P 6 -4.399 15.805 -24.492 1.00 0.00 C ATOM 736 O ARG P 6 -5.198 15.307 -25.283 1.00 0.00 O ATOM 737 CB ARG P 6 -2.600 16.471 -26.089 1.00 0.00 C ATOM 738 CG ARG P 6 -2.143 17.907 -25.838 1.00 0.00 C ATOM 739 CD ARG P 6 -3.268 18.685 -25.161 1.00 0.00 C ATOM 740 NE ARG P 6 -2.711 19.638 -24.220 1.00 0.00 N ATOM 741 CZ ARG P 6 -3.450 20.646 -23.769 1.00 0.00 C ATOM 742 NH1 ARG P 6 -4.681 20.781 -24.182 1.00 0.00 N ATOM 743 NH2 ARG P 6 -2.956 21.499 -22.917 1.00 0.00 N ATOM 0 HA ARG P 6 -2.409 16.312 -23.924 1.00 0.00 H new ATOM 0 HB2 ARG P 6 -1.832 15.924 -26.635 1.00 0.00 H new ATOM 0 HB3 ARG P 6 -3.496 16.467 -26.709 1.00 0.00 H new ATOM 0 HG2 ARG P 6 -1.253 17.912 -25.209 1.00 0.00 H new ATOM 0 HG3 ARG P 6 -1.871 18.384 -26.780 1.00 0.00 H new ATOM 0 HD2 ARG P 6 -3.864 19.206 -25.910 1.00 0.00 H new ATOM 0 HD3 ARG P 6 -3.937 17.998 -24.643 1.00 0.00 H new ATOM 0 HE ARG P 6 -1.747 19.534 -23.903 1.00 0.00 H new ATOM 0 HH11 ARG P 6 -5.072 20.114 -24.848 1.00 0.00 H new ATOM 0 HH12 ARG P 6 -5.252 21.553 -23.839 1.00 0.00 H new ATOM 0 HH21 ARG P 6 -1.995 21.396 -22.591 1.00 0.00 H new ATOM 0 HH22 ARG P 6 -3.530 22.270 -22.576 1.00 0.00 H new ATOM 757 N ARG P 7 -4.764 16.465 -23.398 1.00 0.00 N ATOM 758 CA ARG P 7 -6.162 16.668 -23.020 1.00 0.00 C ATOM 759 C ARG P 7 -6.966 15.381 -22.791 1.00 0.00 C ATOM 760 O ARG P 7 -7.589 14.851 -23.711 1.00 0.00 O ATOM 761 CB ARG P 7 -6.858 17.485 -24.108 1.00 0.00 C ATOM 762 CG ARG P 7 -7.775 18.522 -23.458 1.00 0.00 C ATOM 763 CD ARG P 7 -9.041 18.683 -24.300 1.00 0.00 C ATOM 764 NE ARG P 7 -9.393 20.092 -24.396 1.00 0.00 N ATOM 765 CZ ARG P 7 -10.444 20.486 -25.101 1.00 0.00 C ATOM 766 NH1 ARG P 7 -11.181 19.606 -25.722 1.00 0.00 N ATOM 767 NH2 ARG P 7 -10.742 21.755 -25.173 1.00 0.00 N ATOM 0 H ARG P 7 -4.098 16.877 -22.745 1.00 0.00 H new ATOM 0 HA ARG P 7 -6.135 17.185 -22.061 1.00 0.00 H new ATOM 0 HB2 ARG P 7 -6.117 17.981 -24.735 1.00 0.00 H new ATOM 0 HB3 ARG P 7 -7.437 16.828 -24.757 1.00 0.00 H new ATOM 0 HG2 ARG P 7 -8.035 18.210 -22.447 1.00 0.00 H new ATOM 0 HG3 ARG P 7 -7.258 19.478 -23.373 1.00 0.00 H new ATOM 0 HD2 ARG P 7 -8.881 18.270 -25.296 1.00 0.00 H new ATOM 0 HD3 ARG P 7 -9.861 18.124 -23.851 1.00 0.00 H new ATOM 0 HE ARG P 7 -8.822 20.786 -23.914 1.00 0.00 H new ATOM 0 HH11 ARG P 7 -10.948 18.615 -25.665 1.00 0.00 H new ATOM 0 HH12 ARG P 7 -11.990 19.910 -26.264 1.00 0.00 H new ATOM 0 HH21 ARG P 7 -10.166 22.442 -24.687 1.00 0.00 H new ATOM 0 HH22 ARG P 7 -11.551 22.059 -25.715 1.00 0.00 H new ATOM 781 N GLN P 8 -7.000 14.923 -21.545 1.00 0.00 N ATOM 782 CA GLN P 8 -7.787 13.751 -21.193 1.00 0.00 C ATOM 783 C GLN P 8 -8.420 13.914 -19.810 1.00 0.00 C ATOM 784 O GLN P 8 -9.620 13.704 -19.639 1.00 0.00 O ATOM 785 CB GLN P 8 -6.928 12.501 -21.194 1.00 0.00 C ATOM 786 CG GLN P 8 -7.470 11.524 -22.233 1.00 0.00 C ATOM 787 CD GLN P 8 -6.303 10.963 -23.032 1.00 0.00 C ATOM 788 OE1 GLN P 8 -6.458 10.574 -24.189 1.00 0.00 O ATOM 789 NE2 GLN P 8 -5.133 10.899 -22.470 1.00 0.00 N ATOM 0 H GLN P 8 -6.494 15.344 -20.766 1.00 0.00 H new ATOM 0 HA GLN P 8 -8.572 13.651 -21.942 1.00 0.00 H new ATOM 0 HB2 GLN P 8 -5.893 12.756 -21.422 1.00 0.00 H new ATOM 0 HB3 GLN P 8 -6.933 12.040 -20.206 1.00 0.00 H new ATOM 0 HG2 GLN P 8 -8.016 10.717 -21.744 1.00 0.00 H new ATOM 0 HG3 GLN P 8 -8.173 12.029 -22.895 1.00 0.00 H new ATOM 0 HE21 GLN P 8 -5.010 11.223 -21.511 1.00 0.00 H new ATOM 0 HE22 GLN P 8 -4.338 10.525 -22.988 1.00 0.00 H new ATOM 798 N ASN P 9 -7.612 14.272 -18.820 1.00 0.00 N ATOM 799 CA ASN P 9 -8.138 14.431 -17.467 1.00 0.00 C ATOM 800 C ASN P 9 -7.329 15.426 -16.616 1.00 0.00 C ATOM 801 O ASN P 9 -7.691 15.693 -15.472 1.00 0.00 O ATOM 802 CB ASN P 9 -8.140 13.072 -16.766 1.00 0.00 C ATOM 803 CG ASN P 9 -6.946 12.987 -15.813 1.00 0.00 C ATOM 804 OD1 ASN P 9 -7.103 12.650 -14.640 1.00 0.00 O ATOM 805 ND2 ASN P 9 -5.752 13.275 -16.254 1.00 0.00 N ATOM 0 H ASN P 9 -6.614 14.454 -18.921 1.00 0.00 H new ATOM 0 HA ASN P 9 -9.147 14.832 -17.564 1.00 0.00 H new ATOM 0 HB2 ASN P 9 -9.070 12.937 -16.214 1.00 0.00 H new ATOM 0 HB3 ASN P 9 -8.088 12.271 -17.503 1.00 0.00 H new ATOM 0 HD21 ASN P 9 -4.950 13.221 -15.626 1.00 0.00 H new ATOM 0 HD22 ASN P 9 -5.621 13.554 -17.226 1.00 0.00 H new ATOM 812 N HIS P 10 -6.243 15.975 -17.151 1.00 0.00 N ATOM 813 CA HIS P 10 -5.448 16.917 -16.383 1.00 0.00 C ATOM 814 C HIS P 10 -4.629 16.173 -15.326 1.00 0.00 C ATOM 815 O HIS P 10 -5.062 15.157 -14.792 1.00 0.00 O ATOM 816 CB HIS P 10 -6.372 17.926 -15.703 1.00 0.00 C ATOM 817 CG HIS P 10 -7.527 18.248 -16.614 1.00 0.00 C ATOM 818 ND1 HIS P 10 -7.435 19.200 -17.622 1.00 0.00 N ATOM 819 CD2 HIS P 10 -8.807 17.754 -16.682 1.00 0.00 C ATOM 820 CE1 HIS P 10 -8.627 19.249 -18.247 1.00 0.00 C ATOM 821 NE2 HIS P 10 -9.498 18.384 -17.709 1.00 0.00 N ATOM 0 H HIS P 10 -5.901 15.787 -18.094 1.00 0.00 H new ATOM 0 HA HIS P 10 -4.767 17.441 -17.053 1.00 0.00 H new ATOM 0 HB2 HIS P 10 -6.741 17.519 -14.761 1.00 0.00 H new ATOM 0 HB3 HIS P 10 -5.821 18.835 -15.463 1.00 0.00 H new ATOM 0 HD2 HIS P 10 -9.214 16.991 -16.035 1.00 0.00 H new ATOM 0 HE1 HIS P 10 -8.852 19.903 -19.077 1.00 0.00 H new ATOM 0 HE2 HIS P 10 -10.464 18.223 -17.994 1.00 0.00 H new ATOM 830 N SER P 11 -3.441 16.676 -15.044 1.00 0.00 N ATOM 831 CA SER P 11 -2.568 16.041 -14.058 1.00 0.00 C ATOM 832 C SER P 11 -2.283 16.983 -12.880 1.00 0.00 C ATOM 833 O SER P 11 -2.389 18.202 -13.005 1.00 0.00 O ATOM 834 CB SER P 11 -1.245 15.653 -14.719 1.00 0.00 C ATOM 835 OG SER P 11 -1.468 15.400 -16.100 1.00 0.00 O ATOM 0 H SER P 11 -3.055 17.515 -15.477 1.00 0.00 H new ATOM 0 HA SER P 11 -3.075 15.154 -13.679 1.00 0.00 H new ATOM 0 HB2 SER P 11 -0.515 16.454 -14.597 1.00 0.00 H new ATOM 0 HB3 SER P 11 -0.830 14.768 -14.237 1.00 0.00 H new ATOM 0 HG SER P 11 -0.622 15.153 -16.528 1.00 0.00 H new ATOM 841 N CYS P 12 -1.933 16.405 -11.732 1.00 0.00 N ATOM 842 CA CYS P 12 -1.649 17.220 -10.533 1.00 0.00 C ATOM 843 C CYS P 12 -0.439 18.131 -10.726 1.00 0.00 C ATOM 844 O CYS P 12 0.389 17.915 -11.606 1.00 0.00 O ATOM 845 CB CYS P 12 -1.355 16.315 -9.327 1.00 0.00 C ATOM 846 SG CYS P 12 -2.536 14.974 -9.358 1.00 0.00 S ATOM 0 H CYS P 12 -1.838 15.398 -11.598 1.00 0.00 H new ATOM 0 HA CYS P 12 -2.536 17.830 -10.362 1.00 0.00 H new ATOM 0 HB2 CYS P 12 -0.337 15.930 -9.377 1.00 0.00 H new ATOM 0 HB3 CYS P 12 -1.438 16.877 -8.397 1.00 0.00 H new ATOM 0 HG CYS P 12 -3.386 15.122 -8.386 1.00 0.00 H new ATOM 851 N ASP P 13 -0.337 19.138 -9.864 1.00 0.00 N ATOM 852 CA ASP P 13 0.806 20.059 -9.922 1.00 0.00 C ATOM 853 C ASP P 13 2.102 19.266 -10.116 1.00 0.00 C ATOM 854 O ASP P 13 2.924 19.571 -10.986 1.00 0.00 O ATOM 855 CB ASP P 13 0.971 20.877 -8.621 1.00 0.00 C ATOM 856 CG ASP P 13 0.024 20.389 -7.518 1.00 0.00 C ATOM 857 OD1 ASP P 13 -1.170 20.397 -7.738 1.00 0.00 O ATOM 858 OD2 ASP P 13 0.515 20.037 -6.458 1.00 0.00 O ATOM 0 H ASP P 13 -1.014 19.340 -9.129 1.00 0.00 H new ATOM 0 HA ASP P 13 0.613 20.737 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP P 13 2.002 20.804 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP P 13 0.778 21.930 -8.827 1.00 0.00 H new ATOM 863 N PRO P 14 2.299 18.232 -9.283 1.00 0.00 N ATOM 864 CA PRO P 14 3.502 17.378 -9.320 1.00 0.00 C ATOM 865 C PRO P 14 3.589 16.535 -10.592 1.00 0.00 C ATOM 866 O PRO P 14 4.678 16.186 -11.054 1.00 0.00 O ATOM 867 CB PRO P 14 3.345 16.511 -8.062 1.00 0.00 C ATOM 868 CG PRO P 14 1.842 16.452 -7.842 1.00 0.00 C ATOM 869 CD PRO P 14 1.325 17.814 -8.256 1.00 0.00 C ATOM 0 HA PRO P 14 4.426 17.955 -9.333 1.00 0.00 H new ATOM 0 HB2 PRO P 14 3.767 15.516 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO P 14 3.857 16.952 -7.207 1.00 0.00 H new ATOM 0 HG2 PRO P 14 1.388 15.661 -8.438 1.00 0.00 H new ATOM 0 HG3 PRO P 14 1.605 16.241 -6.799 1.00 0.00 H new ATOM 0 HD2 PRO P 14 0.313 17.758 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO P 14 1.298 18.509 -7.417 1.00 0.00 H new ATOM 877 N CYS P 15 2.442 16.221 -11.158 1.00 0.00 N ATOM 878 CA CYS P 15 2.405 15.429 -12.368 1.00 0.00 C ATOM 879 C CYS P 15 2.878 16.235 -13.576 1.00 0.00 C ATOM 880 O CYS P 15 3.709 15.775 -14.351 1.00 0.00 O ATOM 881 CB CYS P 15 0.986 14.916 -12.561 1.00 0.00 C ATOM 882 SG CYS P 15 0.679 13.759 -11.215 1.00 0.00 S ATOM 0 H CYS P 15 1.528 16.501 -10.801 1.00 0.00 H new ATOM 0 HA CYS P 15 3.088 14.585 -12.275 1.00 0.00 H new ATOM 0 HB2 CYS P 15 0.269 15.737 -12.539 1.00 0.00 H new ATOM 0 HB3 CYS P 15 0.878 14.425 -13.528 1.00 0.00 H new ATOM 0 HG CYS P 15 -0.397 14.112 -10.576 1.00 0.00 H new ATOM 887 N ARG P 16 2.373 17.441 -13.725 1.00 0.00 N ATOM 888 CA ARG P 16 2.790 18.278 -14.838 1.00 0.00 C ATOM 889 C ARG P 16 4.280 18.590 -14.725 1.00 0.00 C ATOM 890 O ARG P 16 4.968 18.774 -15.728 1.00 0.00 O ATOM 891 CB ARG P 16 2.013 19.592 -14.827 1.00 0.00 C ATOM 892 CG ARG P 16 0.524 19.302 -14.679 1.00 0.00 C ATOM 893 CD ARG P 16 -0.129 20.413 -13.859 1.00 0.00 C ATOM 894 NE ARG P 16 -1.294 20.907 -14.575 1.00 0.00 N ATOM 895 CZ ARG P 16 -2.509 20.922 -14.016 1.00 0.00 C ATOM 896 NH1 ARG P 16 -2.673 20.572 -12.766 1.00 0.00 N ATOM 897 NH2 ARG P 16 -3.551 21.302 -14.713 1.00 0.00 N ATOM 0 H ARG P 16 1.684 17.862 -13.102 1.00 0.00 H new ATOM 0 HA ARG P 16 2.592 17.742 -15.766 1.00 0.00 H new ATOM 0 HB2 ARG P 16 2.355 20.222 -14.006 1.00 0.00 H new ATOM 0 HB3 ARG P 16 2.197 20.143 -15.749 1.00 0.00 H new ATOM 0 HG2 ARG P 16 0.056 19.236 -15.661 1.00 0.00 H new ATOM 0 HG3 ARG P 16 0.376 18.339 -14.190 1.00 0.00 H new ATOM 0 HD2 ARG P 16 -0.421 20.036 -12.879 1.00 0.00 H new ATOM 0 HD3 ARG P 16 0.581 21.223 -13.690 1.00 0.00 H new ATOM 0 HE ARG P 16 -1.182 21.251 -15.529 1.00 0.00 H new ATOM 0 HH11 ARG P 16 -1.870 20.284 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG P 16 -3.604 20.587 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG P 16 -3.437 21.588 -15.686 1.00 0.00 H new ATOM 0 HH22 ARG P 16 -4.476 21.312 -14.283 1.00 0.00 H new ATOM 911 N LYS P 17 4.762 18.660 -13.492 1.00 0.00 N ATOM 912 CA LYS P 17 6.165 18.968 -13.246 1.00 0.00 C ATOM 913 C LYS P 17 7.053 17.729 -13.403 1.00 0.00 C ATOM 914 O LYS P 17 8.244 17.843 -13.690 1.00 0.00 O ATOM 915 CB LYS P 17 6.326 19.519 -11.828 1.00 0.00 C ATOM 916 CG LYS P 17 7.766 19.991 -11.623 1.00 0.00 C ATOM 917 CD LYS P 17 8.195 19.712 -10.181 1.00 0.00 C ATOM 918 CE LYS P 17 9.281 18.635 -10.169 1.00 0.00 C ATOM 919 NZ LYS P 17 10.029 18.698 -8.882 1.00 0.00 N ATOM 0 H LYS P 17 4.206 18.509 -12.650 1.00 0.00 H new ATOM 0 HA LYS P 17 6.477 19.709 -13.982 1.00 0.00 H new ATOM 0 HB2 LYS P 17 5.635 20.346 -11.668 1.00 0.00 H new ATOM 0 HB3 LYS P 17 6.077 18.749 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS P 17 8.431 19.477 -12.317 1.00 0.00 H new ATOM 0 HG3 LYS P 17 7.844 21.057 -11.837 1.00 0.00 H new ATOM 0 HD2 LYS P 17 8.569 20.625 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS P 17 7.338 19.385 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS P 17 8.832 17.649 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS P 17 9.963 18.782 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 10.768 17.966 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 10.469 19.635 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 9.373 18.537 -8.091 1.00 0.00 H new ATOM 933 N GLY P 18 6.477 16.551 -13.218 1.00 0.00 N ATOM 934 CA GLY P 18 7.242 15.321 -13.349 1.00 0.00 C ATOM 935 C GLY P 18 6.964 14.665 -14.691 1.00 0.00 C ATOM 936 O GLY P 18 7.527 13.630 -15.015 1.00 0.00 O ATOM 0 H GLY P 18 5.494 16.421 -12.979 1.00 0.00 H new ATOM 0 HA2 GLY P 18 8.307 15.536 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY P 18 6.983 14.636 -12.542 1.00 0.00 H new ATOM 940 N LYS P 19 6.090 15.283 -15.460 1.00 0.00 N ATOM 941 CA LYS P 19 5.726 14.775 -16.753 1.00 0.00 C ATOM 942 C LYS P 19 5.009 13.447 -16.626 1.00 0.00 C ATOM 943 O LYS P 19 5.511 12.420 -17.060 1.00 0.00 O ATOM 944 CB LYS P 19 6.972 14.599 -17.598 1.00 0.00 C ATOM 945 CG LYS P 19 7.094 15.810 -18.502 1.00 0.00 C ATOM 946 CD LYS P 19 8.388 15.721 -19.313 1.00 0.00 C ATOM 947 CE LYS P 19 8.356 16.746 -20.446 1.00 0.00 C ATOM 948 NZ LYS P 19 8.613 16.059 -21.742 1.00 0.00 N ATOM 0 H LYS P 19 5.617 16.149 -15.201 1.00 0.00 H new ATOM 0 HA LYS P 19 5.054 15.489 -17.229 1.00 0.00 H new ATOM 0 HB2 LYS P 19 7.854 14.505 -16.964 1.00 0.00 H new ATOM 0 HB3 LYS P 19 6.907 13.686 -18.190 1.00 0.00 H new ATOM 0 HG2 LYS P 19 6.236 15.863 -19.173 1.00 0.00 H new ATOM 0 HG3 LYS P 19 7.089 16.723 -17.906 1.00 0.00 H new ATOM 0 HD2 LYS P 19 9.247 15.905 -18.667 1.00 0.00 H new ATOM 0 HD3 LYS P 19 8.505 14.717 -19.721 1.00 0.00 H new ATOM 0 HE2 LYS P 19 7.387 17.245 -20.472 1.00 0.00 H new ATOM 0 HE3 LYS P 19 9.107 17.517 -20.275 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 8.592 16.755 -22.514 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 9.547 15.602 -21.714 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 7.880 15.339 -21.905 1.00 0.00 H new ATOM 962 N ARG P 20 3.840 13.444 -16.017 1.00 0.00 N ATOM 963 CA ARG P 20 3.152 12.200 -15.882 1.00 0.00 C ATOM 964 C ARG P 20 1.635 12.328 -15.958 1.00 0.00 C ATOM 965 O ARG P 20 1.020 13.175 -15.313 1.00 0.00 O ATOM 966 CB ARG P 20 3.525 11.553 -14.553 1.00 0.00 C ATOM 967 CG ARG P 20 4.410 10.331 -14.792 1.00 0.00 C ATOM 968 CD ARG P 20 4.031 9.678 -16.118 1.00 0.00 C ATOM 969 NE ARG P 20 4.019 8.242 -15.976 1.00 0.00 N ATOM 970 CZ ARG P 20 2.920 7.596 -15.604 1.00 0.00 C ATOM 971 NH1 ARG P 20 1.841 8.260 -15.290 1.00 0.00 N ATOM 972 NH2 ARG P 20 2.921 6.295 -15.543 1.00 0.00 N ATOM 0 H ARG P 20 3.370 14.260 -15.625 1.00 0.00 H new ATOM 0 HA ARG P 20 3.464 11.584 -16.726 1.00 0.00 H new ATOM 0 HB2 ARG P 20 4.048 12.273 -13.924 1.00 0.00 H new ATOM 0 HB3 ARG P 20 2.622 11.259 -14.017 1.00 0.00 H new ATOM 0 HG2 ARG P 20 5.459 10.626 -14.807 1.00 0.00 H new ATOM 0 HG3 ARG P 20 4.291 9.618 -13.976 1.00 0.00 H new ATOM 0 HD2 ARG P 20 3.050 10.028 -16.438 1.00 0.00 H new ATOM 0 HD3 ARG P 20 4.741 9.969 -16.892 1.00 0.00 H new ATOM 0 HE ARG P 20 4.871 7.713 -16.165 1.00 0.00 H new ATOM 0 HH11 ARG P 20 1.840 9.279 -15.330 1.00 0.00 H new ATOM 0 HH12 ARG P 20 0.999 7.760 -15.005 1.00 0.00 H new ATOM 0 HH21 ARG P 20 3.765 5.774 -15.781 1.00 0.00 H new ATOM 0 HH22 ARG P 20 2.078 5.797 -15.257 1.00 0.00 H new ATOM 986 N ARG P 21 1.050 11.420 -16.721 1.00 0.00 N ATOM 987 CA ARG P 21 -0.385 11.343 -16.868 1.00 0.00 C ATOM 988 C ARG P 21 -0.951 10.727 -15.597 1.00 0.00 C ATOM 989 O ARG P 21 -0.261 9.952 -14.937 1.00 0.00 O ATOM 990 CB ARG P 21 -0.696 10.405 -18.026 1.00 0.00 C ATOM 991 CG ARG P 21 -0.198 9.000 -17.657 1.00 0.00 C ATOM 992 CD ARG P 21 -1.384 8.050 -17.534 1.00 0.00 C ATOM 993 NE ARG P 21 -2.359 8.387 -18.546 1.00 0.00 N ATOM 994 CZ ARG P 21 -3.635 8.058 -18.401 1.00 0.00 C ATOM 995 NH1 ARG P 21 -4.017 7.379 -17.355 1.00 0.00 N ATOM 996 NH2 ARG P 21 -4.509 8.412 -19.302 1.00 0.00 N ATOM 0 H ARG P 21 1.561 10.717 -17.255 1.00 0.00 H new ATOM 0 HA ARG P 21 -0.811 12.330 -17.048 1.00 0.00 H new ATOM 0 HB2 ARG P 21 -1.768 10.388 -18.223 1.00 0.00 H new ATOM 0 HB3 ARG P 21 -0.210 10.753 -18.937 1.00 0.00 H new ATOM 0 HG2 ARG P 21 0.493 8.637 -18.418 1.00 0.00 H new ATOM 0 HG3 ARG P 21 0.352 9.034 -16.717 1.00 0.00 H new ATOM 0 HD2 ARG P 21 -1.055 7.018 -17.656 1.00 0.00 H new ATOM 0 HD3 ARG P 21 -1.828 8.128 -16.542 1.00 0.00 H new ATOM 0 HE ARG P 21 -2.061 8.886 -19.384 1.00 0.00 H new ATOM 0 HH11 ARG P 21 -3.334 7.102 -16.650 1.00 0.00 H new ATOM 0 HH12 ARG P 21 -4.998 7.125 -17.242 1.00 0.00 H new ATOM 0 HH21 ARG P 21 -4.211 8.943 -20.120 1.00 0.00 H new ATOM 0 HH22 ARG P 21 -5.490 8.158 -19.188 1.00 0.00 H new ATOM 1010 N CYS P 22 -2.182 11.037 -15.228 1.00 0.00 N ATOM 1011 CA CYS P 22 -2.687 10.426 -14.013 1.00 0.00 C ATOM 1012 C CYS P 22 -4.203 10.325 -13.934 1.00 0.00 C ATOM 1013 O CYS P 22 -4.930 10.635 -14.877 1.00 0.00 O ATOM 1014 CB CYS P 22 -2.162 11.173 -12.801 1.00 0.00 C ATOM 1015 SG CYS P 22 -2.792 12.864 -12.726 1.00 0.00 S ATOM 0 H CYS P 22 -2.816 11.668 -15.717 1.00 0.00 H new ATOM 0 HA CYS P 22 -2.321 9.400 -14.029 1.00 0.00 H new ATOM 0 HB2 CYS P 22 -2.447 10.639 -11.894 1.00 0.00 H new ATOM 0 HB3 CYS P 22 -1.073 11.193 -12.831 1.00 0.00 H new ATOM 0 HG CYS P 22 -2.620 13.338 -11.528 1.00 0.00 H new ATOM 1020 N ASP P 23 -4.651 9.850 -12.778 1.00 0.00 N ATOM 1021 CA ASP P 23 -6.064 9.651 -12.521 1.00 0.00 C ATOM 1022 C ASP P 23 -6.745 10.955 -12.139 1.00 0.00 C ATOM 1023 O ASP P 23 -7.708 11.368 -12.777 1.00 0.00 O ATOM 1024 CB ASP P 23 -6.227 8.664 -11.367 1.00 0.00 C ATOM 1025 CG ASP P 23 -5.168 7.566 -11.477 1.00 0.00 C ATOM 1026 OD1 ASP P 23 -5.431 6.583 -12.150 1.00 0.00 O ATOM 1027 OD2 ASP P 23 -4.113 7.726 -10.886 1.00 0.00 O ATOM 0 H ASP P 23 -4.045 9.594 -11.999 1.00 0.00 H new ATOM 0 HA ASP P 23 -6.525 9.268 -13.432 1.00 0.00 H new ATOM 0 HB2 ASP P 23 -6.129 9.184 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP P 23 -7.224 8.225 -11.389 1.00 0.00 H new ATOM 1032 N ALA P 24 -6.238 11.588 -11.090 1.00 0.00 N ATOM 1033 CA ALA P 24 -6.803 12.837 -10.617 1.00 0.00 C ATOM 1034 C ALA P 24 -7.304 13.657 -11.806 1.00 0.00 C ATOM 1035 O ALA P 24 -6.560 14.424 -12.405 1.00 0.00 O ATOM 1036 CB ALA P 24 -5.732 13.607 -9.848 1.00 0.00 C ATOM 0 H ALA P 24 -5.437 11.255 -10.553 1.00 0.00 H new ATOM 0 HA ALA P 24 -7.646 12.639 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA P 24 -6.148 14.548 -9.488 1.00 0.00 H new ATOM 0 HB2 ALA P 24 -5.395 13.012 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA P 24 -4.888 13.812 -10.506 1.00 0.00 H new ATOM 1042 N PRO P 25 -8.575 13.458 -12.182 1.00 0.00 N ATOM 1043 CA PRO P 25 -9.206 14.116 -13.327 1.00 0.00 C ATOM 1044 C PRO P 25 -10.026 15.347 -12.939 1.00 0.00 C ATOM 1045 O PRO P 25 -9.793 15.963 -11.901 1.00 0.00 O ATOM 1046 CB PRO P 25 -10.125 13.007 -13.843 1.00 0.00 C ATOM 1047 CG PRO P 25 -10.498 12.199 -12.596 1.00 0.00 C ATOM 1048 CD PRO P 25 -9.496 12.555 -11.493 1.00 0.00 C ATOM 0 HA PRO P 25 -8.480 14.496 -14.046 1.00 0.00 H new ATOM 0 HB2 PRO P 25 -11.010 13.420 -14.327 1.00 0.00 H new ATOM 0 HB3 PRO P 25 -9.619 12.385 -14.581 1.00 0.00 H new ATOM 0 HG2 PRO P 25 -11.514 12.432 -12.279 1.00 0.00 H new ATOM 0 HG3 PRO P 25 -10.468 11.131 -12.810 1.00 0.00 H new ATOM 0 HD2 PRO P 25 -9.981 13.039 -10.645 1.00 0.00 H new ATOM 0 HD3 PRO P 25 -8.986 11.672 -11.107 1.00 0.00 H new ATOM 1056 N GLU P 26 -10.996 15.687 -13.778 1.00 0.00 N ATOM 1057 CA GLU P 26 -11.855 16.824 -13.507 1.00 0.00 C ATOM 1058 C GLU P 26 -12.784 16.500 -12.336 1.00 0.00 C ATOM 1059 O GLU P 26 -13.536 17.353 -11.867 1.00 0.00 O ATOM 1060 CB GLU P 26 -12.693 17.151 -14.745 1.00 0.00 C ATOM 1061 CG GLU P 26 -13.172 18.602 -14.669 1.00 0.00 C ATOM 1062 CD GLU P 26 -14.242 18.843 -15.736 1.00 0.00 C ATOM 1063 OE1 GLU P 26 -15.213 18.105 -15.750 1.00 0.00 O ATOM 1064 OE2 GLU P 26 -14.071 19.762 -16.521 1.00 0.00 O ATOM 0 H GLU P 26 -11.204 15.193 -14.646 1.00 0.00 H new ATOM 0 HA GLU P 26 -11.236 17.684 -13.254 1.00 0.00 H new ATOM 0 HB2 GLU P 26 -12.102 16.999 -15.648 1.00 0.00 H new ATOM 0 HB3 GLU P 26 -13.548 16.478 -14.807 1.00 0.00 H new ATOM 0 HG2 GLU P 26 -13.577 18.811 -13.679 1.00 0.00 H new ATOM 0 HG3 GLU P 26 -12.333 19.281 -14.820 1.00 0.00 H new ATOM 1071 N ASN P 27 -12.707 15.263 -11.854 1.00 0.00 N ATOM 1072 CA ASN P 27 -13.518 14.843 -10.732 1.00 0.00 C ATOM 1073 C ASN P 27 -12.598 14.466 -9.582 1.00 0.00 C ATOM 1074 O ASN P 27 -12.988 13.777 -8.643 1.00 0.00 O ATOM 1075 CB ASN P 27 -14.380 13.640 -11.120 1.00 0.00 C ATOM 1076 CG ASN P 27 -15.326 14.030 -12.256 1.00 0.00 C ATOM 1077 OD1 ASN P 27 -15.892 13.167 -12.924 1.00 0.00 O ATOM 1078 ND2 ASN P 27 -15.533 15.292 -12.514 1.00 0.00 N ATOM 0 H ASN P 27 -12.091 14.541 -12.226 1.00 0.00 H new ATOM 0 HA ASN P 27 -14.178 15.658 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN P 27 -13.745 12.810 -11.431 1.00 0.00 H new ATOM 0 HB3 ASN P 27 -14.953 13.297 -10.258 1.00 0.00 H new ATOM 0 HD21 ASN P 27 -16.164 15.561 -13.269 1.00 0.00 H new ATOM 0 HD22 ASN P 27 -15.064 16.009 -11.961 1.00 0.00 H new ATOM 1085 N ARG P 28 -11.371 14.946 -9.676 1.00 0.00 N ATOM 1086 CA ARG P 28 -10.374 14.693 -8.656 1.00 0.00 C ATOM 1087 C ARG P 28 -10.761 15.451 -7.395 1.00 0.00 C ATOM 1088 O ARG P 28 -10.883 14.876 -6.320 1.00 0.00 O ATOM 1089 CB ARG P 28 -9.010 15.161 -9.158 1.00 0.00 C ATOM 1090 CG ARG P 28 -7.988 15.089 -8.028 1.00 0.00 C ATOM 1091 CD ARG P 28 -6.885 16.108 -8.299 1.00 0.00 C ATOM 1092 NE ARG P 28 -6.539 16.792 -7.068 1.00 0.00 N ATOM 1093 CZ ARG P 28 -7.420 17.568 -6.452 1.00 0.00 C ATOM 1094 NH1 ARG P 28 -8.586 17.782 -6.993 1.00 0.00 N ATOM 1095 NH2 ARG P 28 -7.121 18.131 -5.313 1.00 0.00 N ATOM 0 H ARG P 28 -11.041 15.517 -10.454 1.00 0.00 H new ATOM 0 HA ARG P 28 -10.320 13.627 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG P 28 -8.687 14.539 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG P 28 -9.081 16.183 -9.531 1.00 0.00 H new ATOM 0 HG2 ARG P 28 -8.467 15.297 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG P 28 -7.567 14.086 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG P 28 -6.007 15.608 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG P 28 -7.218 16.829 -9.046 1.00 0.00 H new ATOM 0 HE ARG P 28 -5.607 16.675 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG P 28 -8.819 17.353 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG P 28 -9.265 18.379 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG P 28 -6.205 17.975 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG P 28 -7.803 18.727 -4.844 1.00 0.00 H new ATOM 1109 N ASN P 29 -10.997 16.740 -7.544 1.00 0.00 N ATOM 1110 CA ASN P 29 -11.425 17.542 -6.411 1.00 0.00 C ATOM 1111 C ASN P 29 -12.673 16.891 -5.819 1.00 0.00 C ATOM 1112 O ASN P 29 -12.729 16.543 -4.635 1.00 0.00 O ATOM 1113 CB ASN P 29 -11.759 18.968 -6.862 1.00 0.00 C ATOM 1114 CG ASN P 29 -10.802 19.399 -7.976 1.00 0.00 C ATOM 1115 OD1 ASN P 29 -9.753 19.985 -7.709 1.00 0.00 O ATOM 1116 ND2 ASN P 29 -11.108 19.145 -9.219 1.00 0.00 N ATOM 0 H ASN P 29 -10.902 17.249 -8.423 1.00 0.00 H new ATOM 0 HA ASN P 29 -10.627 17.594 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN P 29 -12.789 19.015 -7.217 1.00 0.00 H new ATOM 0 HB3 ASN P 29 -11.681 19.653 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN P 29 -10.478 19.432 -9.968 1.00 0.00 H new ATOM 0 HD22 ASN P 29 -11.977 18.659 -9.441 1.00 0.00 H new ATOM 1123 N GLU P 30 -13.662 16.692 -6.675 1.00 0.00 N ATOM 1124 CA GLU P 30 -14.888 16.046 -6.257 1.00 0.00 C ATOM 1125 C GLU P 30 -14.550 14.664 -5.703 1.00 0.00 C ATOM 1126 O GLU P 30 -15.268 14.119 -4.866 1.00 0.00 O ATOM 1127 CB GLU P 30 -15.836 15.901 -7.449 1.00 0.00 C ATOM 1128 CG GLU P 30 -17.227 15.505 -6.951 1.00 0.00 C ATOM 1129 CD GLU P 30 -18.289 16.288 -7.725 1.00 0.00 C ATOM 1130 OE1 GLU P 30 -18.413 17.478 -7.483 1.00 0.00 O ATOM 1131 OE2 GLU P 30 -18.961 15.686 -8.546 1.00 0.00 O ATOM 0 H GLU P 30 -13.637 16.968 -7.657 1.00 0.00 H new ATOM 0 HA GLU P 30 -15.376 16.648 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU P 30 -15.889 16.840 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU P 30 -15.457 15.147 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU P 30 -17.381 14.434 -7.084 1.00 0.00 H new ATOM 0 HG3 GLU P 30 -17.315 15.710 -5.884 1.00 0.00 H new ATOM 1138 N ALA P 31 -13.425 14.121 -6.160 1.00 0.00 N ATOM 1139 CA ALA P 31 -12.977 12.825 -5.690 1.00 0.00 C ATOM 1140 C ALA P 31 -12.756 12.929 -4.193 1.00 0.00 C ATOM 1141 O ALA P 31 -13.321 12.173 -3.404 1.00 0.00 O ATOM 1142 CB ALA P 31 -11.675 12.434 -6.378 1.00 0.00 C ATOM 0 H ALA P 31 -12.815 14.559 -6.850 1.00 0.00 H new ATOM 0 HA ALA P 31 -13.723 12.063 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA P 31 -11.350 11.459 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA P 31 -11.833 12.386 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA P 31 -10.909 13.177 -6.156 1.00 0.00 H new ATOM 1148 N ASN P 32 -11.966 13.922 -3.819 1.00 0.00 N ATOM 1149 CA ASN P 32 -11.710 14.192 -2.425 1.00 0.00 C ATOM 1150 C ASN P 32 -13.055 14.336 -1.733 1.00 0.00 C ATOM 1151 O ASN P 32 -13.231 13.949 -0.579 1.00 0.00 O ATOM 1152 CB ASN P 32 -10.940 15.501 -2.298 1.00 0.00 C ATOM 1153 CG ASN P 32 -9.553 15.342 -2.912 1.00 0.00 C ATOM 1154 OD1 ASN P 32 -8.753 14.523 -2.463 1.00 0.00 O ATOM 1155 ND2 ASN P 32 -9.225 16.090 -3.925 1.00 0.00 N ATOM 0 H ASN P 32 -11.493 14.552 -4.467 1.00 0.00 H new ATOM 0 HA ASN P 32 -11.126 13.388 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN P 32 -11.481 16.303 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN P 32 -10.854 15.783 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN P 32 -8.302 15.998 -4.349 1.00 0.00 H new ATOM 0 HD22 ASN P 32 -9.891 16.768 -4.295 1.00 0.00 H new ATOM 1162 N GLU P 33 -14.010 14.882 -2.476 1.00 0.00 N ATOM 1163 CA GLU P 33 -15.358 15.049 -1.955 1.00 0.00 C ATOM 1164 C GLU P 33 -15.893 13.681 -1.521 1.00 0.00 C ATOM 1165 O GLU P 33 -16.429 13.526 -0.426 1.00 0.00 O ATOM 1166 CB GLU P 33 -16.269 15.637 -3.033 1.00 0.00 C ATOM 1167 CG GLU P 33 -17.280 16.586 -2.387 1.00 0.00 C ATOM 1168 CD GLU P 33 -18.669 16.327 -2.972 1.00 0.00 C ATOM 1169 OE1 GLU P 33 -18.902 16.734 -4.098 1.00 0.00 O ATOM 1170 OE2 GLU P 33 -19.477 15.726 -2.283 1.00 0.00 O ATOM 0 H GLU P 33 -13.877 15.213 -3.432 1.00 0.00 H new ATOM 0 HA GLU P 33 -15.338 15.729 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -15.675 16.172 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -16.790 14.837 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -17.295 16.438 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -16.987 17.621 -2.563 1.00 0.00 H new ATOM 1177 N ASN P 34 -15.696 12.682 -2.378 1.00 0.00 N ATOM 1178 CA ASN P 34 -16.113 11.327 -2.058 1.00 0.00 C ATOM 1179 C ASN P 34 -14.896 10.530 -1.627 1.00 0.00 C ATOM 1180 O ASN P 34 -14.852 9.302 -1.680 1.00 0.00 O ATOM 1181 CB ASN P 34 -16.762 10.658 -3.246 1.00 0.00 C ATOM 1182 CG ASN P 34 -16.726 11.578 -4.454 1.00 0.00 C ATOM 1183 OD1 ASN P 34 -17.745 12.137 -4.856 1.00 0.00 O ATOM 1184 ND2 ASN P 34 -15.598 11.765 -5.057 1.00 0.00 N ATOM 0 H ASN P 34 -15.254 12.787 -3.291 1.00 0.00 H new ATOM 0 HA ASN P 34 -16.847 11.367 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN P 34 -16.245 9.726 -3.475 1.00 0.00 H new ATOM 0 HB3 ASN P 34 -17.794 10.400 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN P 34 -15.550 12.379 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN P 34 -14.756 11.299 -4.719 1.00 0.00 H new ATOM 1191 N GLY P 35 -13.927 11.285 -1.192 1.00 0.00 N ATOM 1192 CA GLY P 35 -12.663 10.766 -0.712 1.00 0.00 C ATOM 1193 C GLY P 35 -11.744 10.262 -1.819 1.00 0.00 C ATOM 1194 O GLY P 35 -11.983 9.237 -2.454 1.00 0.00 O ATOM 0 H GLY P 35 -13.989 12.303 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY P 35 -12.148 11.548 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY P 35 -12.857 9.951 -0.015 1.00 0.00 H new ATOM 1198 N TRP P 36 -10.669 11.014 -2.004 1.00 0.00 N ATOM 1199 CA TRP P 36 -9.650 10.703 -2.989 1.00 0.00 C ATOM 1200 C TRP P 36 -8.316 10.513 -2.252 1.00 0.00 C ATOM 1201 O TRP P 36 -8.228 9.673 -1.360 1.00 0.00 O ATOM 1202 CB TRP P 36 -9.571 11.859 -3.991 1.00 0.00 C ATOM 1203 CG TRP P 36 -8.498 11.635 -5.021 1.00 0.00 C ATOM 1204 CD1 TRP P 36 -7.947 12.616 -5.768 1.00 0.00 C ATOM 1205 CD2 TRP P 36 -7.816 10.405 -5.410 1.00 0.00 C ATOM 1206 NE1 TRP P 36 -6.992 12.071 -6.595 1.00 0.00 N ATOM 1207 CE2 TRP P 36 -6.872 10.726 -6.413 1.00 0.00 C ATOM 1208 CE3 TRP P 36 -7.908 9.067 -5.019 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 -6.054 9.778 -7.002 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 -7.073 8.095 -5.612 1.00 0.00 C ATOM 1211 CH2 TRP P 36 -6.149 8.455 -6.601 1.00 0.00 C ATOM 0 H TRP P 36 -10.480 11.862 -1.470 1.00 0.00 H new ATOM 0 HA TRP P 36 -9.886 9.789 -3.535 1.00 0.00 H new ATOM 0 HB2 TRP P 36 -10.534 11.975 -4.489 1.00 0.00 H new ATOM 0 HB3 TRP P 36 -9.374 12.789 -3.458 1.00 0.00 H new ATOM 0 HD1 TRP P 36 -8.214 13.662 -5.723 1.00 0.00 H new ATOM 0 HE1 TRP P 36 -6.440 12.609 -7.264 1.00 0.00 H new ATOM 0 HE3 TRP P 36 -8.620 8.775 -4.261 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 -5.348 10.066 -7.767 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 -7.148 7.064 -5.300 1.00 0.00 H new ATOM 0 HH2 TRP P 36 -5.514 7.705 -7.049 1.00 0.00 H new ATOM 1222 N VAL P 37 -7.298 11.298 -2.597 1.00 0.00 N ATOM 1223 CA VAL P 37 -6.000 11.193 -1.937 1.00 0.00 C ATOM 1224 C VAL P 37 -4.897 11.624 -2.908 1.00 0.00 C ATOM 1225 O VAL P 37 -4.622 12.814 -3.059 1.00 0.00 O ATOM 1226 CB VAL P 37 -5.755 9.749 -1.479 1.00 0.00 C ATOM 1227 CG1 VAL P 37 -6.198 8.784 -2.580 1.00 0.00 C ATOM 1228 CG2 VAL P 37 -4.265 9.550 -1.189 1.00 0.00 C ATOM 0 H VAL P 37 -7.346 12.010 -3.326 1.00 0.00 H new ATOM 0 HA VAL P 37 -5.990 11.845 -1.063 1.00 0.00 H new ATOM 0 HB VAL P 37 -6.328 9.552 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL P 37 -6.024 7.758 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL P 37 -7.260 8.926 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL P 37 -5.626 8.980 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL P 37 -4.091 8.524 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL P 37 -3.689 9.746 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL P 37 -3.952 10.238 -0.403 1.00 0.00 H new ATOM 1238 N SER P 38 -4.286 10.660 -3.580 1.00 0.00 N ATOM 1239 CA SER P 38 -3.250 10.959 -4.539 1.00 0.00 C ATOM 1240 C SER P 38 -3.355 10.010 -5.724 1.00 0.00 C ATOM 1241 O SER P 38 -3.719 8.845 -5.573 1.00 0.00 O ATOM 1242 CB SER P 38 -1.878 10.822 -3.898 1.00 0.00 C ATOM 1243 OG SER P 38 -1.861 9.679 -3.054 1.00 0.00 O ATOM 0 H SER P 38 -4.494 9.667 -3.474 1.00 0.00 H new ATOM 0 HA SER P 38 -3.379 11.986 -4.882 1.00 0.00 H new ATOM 0 HB2 SER P 38 -1.113 10.730 -4.668 1.00 0.00 H new ATOM 0 HB3 SER P 38 -1.643 11.717 -3.321 1.00 0.00 H new ATOM 0 HG SER P 38 -1.038 9.677 -2.522 1.00 0.00 H new ATOM 1249 N CYS P 39 -3.015 10.505 -6.897 1.00 0.00 N ATOM 1250 CA CYS P 39 -3.063 9.657 -8.085 1.00 0.00 C ATOM 1251 C CYS P 39 -1.837 8.765 -8.050 1.00 0.00 C ATOM 1252 O CYS P 39 -1.096 8.784 -7.089 1.00 0.00 O ATOM 1253 CB CYS P 39 -3.054 10.491 -9.363 1.00 0.00 C ATOM 1254 SG CYS P 39 -1.635 11.568 -9.266 1.00 0.00 S ATOM 0 H CYS P 39 -2.709 11.464 -7.059 1.00 0.00 H new ATOM 0 HA CYS P 39 -3.983 9.072 -8.084 1.00 0.00 H new ATOM 0 HB2 CYS P 39 -2.993 9.850 -10.242 1.00 0.00 H new ATOM 0 HB3 CYS P 39 -3.973 11.070 -9.453 1.00 0.00 H new ATOM 0 HG CYS P 39 -2.027 12.807 -9.306 1.00 0.00 H new ATOM 1259 N SER P 40 -1.599 8.003 -9.078 1.00 0.00 N ATOM 1260 CA SER P 40 -0.423 7.142 -9.065 1.00 0.00 C ATOM 1261 C SER P 40 0.860 7.981 -8.951 1.00 0.00 C ATOM 1262 O SER P 40 1.864 7.553 -8.381 1.00 0.00 O ATOM 1263 CB SER P 40 -0.373 6.319 -10.352 1.00 0.00 C ATOM 1264 OG SER P 40 0.256 5.072 -10.087 1.00 0.00 O ATOM 0 H SER P 40 -2.176 7.950 -9.918 1.00 0.00 H new ATOM 0 HA SER P 40 -0.490 6.478 -8.203 1.00 0.00 H new ATOM 0 HB2 SER P 40 -1.381 6.157 -10.733 1.00 0.00 H new ATOM 0 HB3 SER P 40 0.176 6.860 -11.122 1.00 0.00 H new ATOM 0 HG SER P 40 0.288 4.541 -10.910 1.00 0.00 H new ATOM 1270 N ASN P 41 0.811 9.170 -9.515 1.00 0.00 N ATOM 1271 CA ASN P 41 1.959 10.067 -9.526 1.00 0.00 C ATOM 1272 C ASN P 41 2.214 10.744 -8.182 1.00 0.00 C ATOM 1273 O ASN P 41 3.036 10.282 -7.387 1.00 0.00 O ATOM 1274 CB ASN P 41 1.719 11.143 -10.566 1.00 0.00 C ATOM 1275 CG ASN P 41 2.118 10.626 -11.941 1.00 0.00 C ATOM 1276 OD1 ASN P 41 3.303 10.543 -12.260 1.00 0.00 O ATOM 1277 ND2 ASN P 41 1.184 10.254 -12.771 1.00 0.00 N ATOM 0 H ASN P 41 -0.018 9.545 -9.977 1.00 0.00 H new ATOM 0 HA ASN P 41 2.836 9.461 -9.753 1.00 0.00 H new ATOM 0 HB2 ASN P 41 0.668 11.433 -10.567 1.00 0.00 H new ATOM 0 HB3 ASN P 41 2.296 12.035 -10.321 1.00 0.00 H new ATOM 0 HD21 ASN P 41 1.434 9.892 -13.691 1.00 0.00 H new ATOM 0 HD22 ASN P 41 0.203 10.325 -12.500 1.00 0.00 H new ATOM 1284 N CYS P 42 1.534 11.858 -7.935 1.00 0.00 N ATOM 1285 CA CYS P 42 1.751 12.561 -6.686 1.00 0.00 C ATOM 1286 C CYS P 42 1.833 11.541 -5.558 1.00 0.00 C ATOM 1287 O CYS P 42 2.658 11.643 -4.665 1.00 0.00 O ATOM 1288 CB CYS P 42 0.649 13.586 -6.431 1.00 0.00 C ATOM 1289 SG CYS P 42 -0.880 12.821 -6.001 1.00 0.00 S ATOM 0 H CYS P 42 0.850 12.280 -8.563 1.00 0.00 H new ATOM 0 HA CYS P 42 2.688 13.115 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS P 42 0.957 14.257 -5.629 1.00 0.00 H new ATOM 0 HB3 CYS P 42 0.510 14.198 -7.322 1.00 0.00 H new ATOM 0 HG CYS P 42 -1.784 13.133 -6.882 1.00 0.00 H new ATOM 1294 N LYS P 43 0.992 10.535 -5.623 1.00 0.00 N ATOM 1295 CA LYS P 43 1.016 9.500 -4.603 1.00 0.00 C ATOM 1296 C LYS P 43 2.384 8.806 -4.539 1.00 0.00 C ATOM 1297 O LYS P 43 2.930 8.655 -3.455 1.00 0.00 O ATOM 1298 CB LYS P 43 -0.095 8.472 -4.832 1.00 0.00 C ATOM 1299 CG LYS P 43 0.390 7.336 -5.738 1.00 0.00 C ATOM 1300 CD LYS P 43 1.223 6.344 -4.923 1.00 0.00 C ATOM 1301 CE LYS P 43 0.438 5.042 -4.748 1.00 0.00 C ATOM 1302 NZ LYS P 43 -0.849 5.328 -4.053 1.00 0.00 N ATOM 0 H LYS P 43 0.293 10.407 -6.355 1.00 0.00 H new ATOM 0 HA LYS P 43 0.840 9.987 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS P 43 -0.422 8.065 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS P 43 -0.959 8.959 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS P 43 -0.463 6.827 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS P 43 0.986 7.740 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS P 43 2.169 6.146 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS P 43 1.464 6.769 -3.949 1.00 0.00 H new ATOM 0 HE2 LYS P 43 0.246 4.587 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS P 43 1.024 4.326 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 -1.237 4.445 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 -0.683 6.004 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 -1.526 5.735 -4.730 1.00 0.00 H new ATOM 1316 N ARG P 44 2.955 8.397 -5.680 1.00 0.00 N ATOM 1317 CA ARG P 44 4.257 7.743 -5.650 1.00 0.00 C ATOM 1318 C ARG P 44 5.301 8.682 -5.054 1.00 0.00 C ATOM 1319 O ARG P 44 6.273 8.251 -4.442 1.00 0.00 O ATOM 1320 CB ARG P 44 4.668 7.381 -7.075 1.00 0.00 C ATOM 1321 CG ARG P 44 3.859 6.175 -7.540 1.00 0.00 C ATOM 1322 CD ARG P 44 3.802 6.151 -9.072 1.00 0.00 C ATOM 1323 NE ARG P 44 5.029 5.581 -9.599 1.00 0.00 N ATOM 1324 CZ ARG P 44 5.398 4.348 -9.261 1.00 0.00 C ATOM 1325 NH1 ARG P 44 4.612 3.610 -8.524 1.00 0.00 N ATOM 1326 NH2 ARG P 44 6.524 3.858 -9.689 1.00 0.00 N ATOM 0 H ARG P 44 2.545 8.506 -6.608 1.00 0.00 H new ATOM 0 HA ARG P 44 4.192 6.844 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG P 44 4.498 8.227 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG P 44 5.734 7.155 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG P 44 4.312 5.256 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG P 44 2.850 6.221 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG P 44 2.945 5.565 -9.404 1.00 0.00 H new ATOM 0 HD3 ARG P 44 3.665 7.162 -9.456 1.00 0.00 H new ATOM 0 HE ARG P 44 5.612 6.129 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG P 44 3.715 3.979 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG P 44 4.895 2.665 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG P 44 7.130 4.420 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG P 44 6.801 2.912 -9.426 1.00 0.00 H new ATOM 1340 N TRP P 45 5.086 9.962 -5.258 1.00 0.00 N ATOM 1341 CA TRP P 45 6.002 10.988 -4.761 1.00 0.00 C ATOM 1342 C TRP P 45 5.419 11.759 -3.591 1.00 0.00 C ATOM 1343 O TRP P 45 5.762 12.919 -3.373 1.00 0.00 O ATOM 1344 CB TRP P 45 6.320 11.933 -5.907 1.00 0.00 C ATOM 1345 CG TRP P 45 6.927 11.069 -6.925 1.00 0.00 C ATOM 1346 CD1 TRP P 45 7.798 10.113 -6.610 1.00 0.00 C ATOM 1347 CD2 TRP P 45 6.719 11.004 -8.362 1.00 0.00 C ATOM 1348 NE1 TRP P 45 8.143 9.434 -7.734 1.00 0.00 N ATOM 1349 CE2 TRP P 45 7.523 9.951 -8.865 1.00 0.00 C ATOM 1350 CE3 TRP P 45 5.937 11.733 -9.275 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 7.540 9.640 -10.228 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 5.957 11.416 -10.643 1.00 0.00 C ATOM 1353 CH2 TRP P 45 6.762 10.371 -11.113 1.00 0.00 C ATOM 0 H TRP P 45 4.282 10.329 -5.767 1.00 0.00 H new ATOM 0 HA TRP P 45 6.907 10.504 -4.396 1.00 0.00 H new ATOM 0 HB2 TRP P 45 5.421 12.421 -6.283 1.00 0.00 H new ATOM 0 HB3 TRP P 45 7.004 12.722 -5.595 1.00 0.00 H new ATOM 0 HD1 TRP P 45 8.171 9.910 -5.617 1.00 0.00 H new ATOM 0 HE1 TRP P 45 8.782 8.639 -7.747 1.00 0.00 H new ATOM 0 HE3 TRP P 45 5.316 12.543 -8.922 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 8.158 8.832 -10.591 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 5.349 11.980 -11.335 1.00 0.00 H new ATOM 0 HH2 TRP P 45 6.777 10.134 -12.167 1.00 0.00 H new ATOM 1364 N ASN P 46 4.558 11.096 -2.837 1.00 0.00 N ATOM 1365 CA ASN P 46 3.935 11.721 -1.676 1.00 0.00 C ATOM 1366 C ASN P 46 3.834 13.236 -1.876 1.00 0.00 C ATOM 1367 O ASN P 46 4.017 14.020 -0.946 1.00 0.00 O ATOM 1368 CB ASN P 46 4.759 11.430 -0.424 1.00 0.00 C ATOM 1369 CG ASN P 46 5.467 10.083 -0.577 1.00 0.00 C ATOM 1370 OD1 ASN P 46 6.372 9.940 -1.397 1.00 0.00 O ATOM 1371 ND2 ASN P 46 5.102 9.080 0.173 1.00 0.00 N ATOM 0 H ASN P 46 4.274 10.131 -3.004 1.00 0.00 H new ATOM 0 HA ASN P 46 2.933 11.309 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN P 46 5.492 12.221 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN P 46 4.113 11.415 0.454 1.00 0.00 H new ATOM 0 HD21 ASN P 46 5.567 8.177 0.079 1.00 0.00 H new ATOM 0 HD22 ASN P 46 4.351 9.199 0.853 1.00 0.00 H new ATOM 1378 N LYS P 47 3.570 13.627 -3.110 1.00 0.00 N ATOM 1379 CA LYS P 47 3.474 15.027 -3.472 1.00 0.00 C ATOM 1380 C LYS P 47 2.194 15.654 -2.930 1.00 0.00 C ATOM 1381 O LYS P 47 2.035 15.803 -1.720 1.00 0.00 O ATOM 1382 CB LYS P 47 3.507 15.156 -4.995 1.00 0.00 C ATOM 1383 CG LYS P 47 4.955 15.079 -5.487 1.00 0.00 C ATOM 1384 CD LYS P 47 5.734 16.298 -4.986 1.00 0.00 C ATOM 1385 CE LYS P 47 5.772 17.366 -6.079 1.00 0.00 C ATOM 1386 NZ LYS P 47 7.008 18.187 -5.931 1.00 0.00 N ATOM 0 H LYS P 47 3.417 12.984 -3.887 1.00 0.00 H new ATOM 0 HA LYS P 47 4.319 15.556 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS P 47 2.915 14.362 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS P 47 3.059 16.102 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS P 47 5.423 14.163 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS P 47 4.978 15.043 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS P 47 5.264 16.699 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS P 47 6.748 16.007 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS P 47 5.751 16.896 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS P 47 4.890 18.003 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 7.033 18.913 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 7.010 18.647 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 7.844 17.574 -6.017 1.00 0.00 H new ATOM 1400 N ASP P 48 1.291 16.044 -3.815 1.00 0.00 N ATOM 1401 CA ASP P 48 0.067 16.672 -3.357 1.00 0.00 C ATOM 1402 C ASP P 48 -1.043 16.662 -4.413 1.00 0.00 C ATOM 1403 O ASP P 48 -1.341 17.693 -5.001 1.00 0.00 O ATOM 1404 CB ASP P 48 0.365 18.119 -2.973 1.00 0.00 C ATOM 1405 CG ASP P 48 -0.740 18.645 -2.055 1.00 0.00 C ATOM 1406 OD1 ASP P 48 -1.148 17.910 -1.171 1.00 0.00 O ATOM 1407 OD2 ASP P 48 -1.159 19.774 -2.252 1.00 0.00 O ATOM 0 H ASP P 48 1.379 15.940 -4.826 1.00 0.00 H new ATOM 0 HA ASP P 48 -0.290 16.096 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP P 48 1.330 18.181 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP P 48 0.432 18.737 -3.868 1.00 0.00 H new ATOM 1412 N CYS P 49 -1.667 15.508 -4.610 1.00 0.00 N ATOM 1413 CA CYS P 49 -2.780 15.387 -5.561 1.00 0.00 C ATOM 1414 C CYS P 49 -3.607 16.659 -5.504 1.00 0.00 C ATOM 1415 O CYS P 49 -4.589 16.726 -4.767 1.00 0.00 O ATOM 1416 CB CYS P 49 -3.710 14.232 -5.136 1.00 0.00 C ATOM 1417 SG CYS P 49 -4.343 13.343 -6.593 1.00 0.00 S ATOM 0 H CYS P 49 -1.427 14.641 -4.129 1.00 0.00 H new ATOM 0 HA CYS P 49 -2.376 15.209 -6.557 1.00 0.00 H new ATOM 0 HB2 CYS P 49 -3.168 13.541 -4.490 1.00 0.00 H new ATOM 0 HB3 CYS P 49 -4.543 14.625 -4.554 1.00 0.00 H new ATOM 0 HG CYS P 49 -5.184 12.428 -6.211 1.00 0.00 H new ATOM 1422 N THR P 50 -3.213 17.681 -6.239 1.00 0.00 N ATOM 1423 CA THR P 50 -3.969 18.913 -6.164 1.00 0.00 C ATOM 1424 C THR P 50 -4.332 19.487 -7.512 1.00 0.00 C ATOM 1425 O THR P 50 -3.522 19.536 -8.456 1.00 0.00 O ATOM 1426 CB THR P 50 -3.207 19.972 -5.387 1.00 0.00 C ATOM 1427 OG1 THR P 50 -1.828 19.826 -5.626 1.00 0.00 O ATOM 1428 CG2 THR P 50 -3.492 19.815 -3.895 1.00 0.00 C ATOM 0 H THR P 50 -2.410 17.687 -6.868 1.00 0.00 H new ATOM 0 HA THR P 50 -4.894 18.646 -5.653 1.00 0.00 H new ATOM 0 HB THR P 50 -3.526 20.963 -5.711 1.00 0.00 H new ATOM 0 HG1 THR P 50 -1.496 19.036 -5.151 1.00 0.00 H new ATOM 0 HG21 THR P 50 -2.945 20.575 -3.338 1.00 0.00 H new ATOM 0 HG22 THR P 50 -4.561 19.932 -3.714 1.00 0.00 H new ATOM 0 HG23 THR P 50 -3.174 18.826 -3.566 1.00 0.00 H new ATOM 1436 N PHE P 51 -5.570 19.952 -7.543 1.00 0.00 N ATOM 1437 CA PHE P 51 -6.160 20.593 -8.693 1.00 0.00 C ATOM 1438 C PHE P 51 -6.824 21.878 -8.186 1.00 0.00 C ATOM 1439 O PHE P 51 -7.825 22.344 -8.728 1.00 0.00 O ATOM 1440 CB PHE P 51 -7.253 19.700 -9.298 1.00 0.00 C ATOM 1441 CG PHE P 51 -6.667 18.664 -10.227 1.00 0.00 C ATOM 1442 CD1 PHE P 51 -5.491 17.986 -9.891 1.00 0.00 C ATOM 1443 CD2 PHE P 51 -7.321 18.371 -11.425 1.00 0.00 C ATOM 1444 CE1 PHE P 51 -4.969 17.020 -10.749 1.00 0.00 C ATOM 1445 CE2 PHE P 51 -6.800 17.403 -12.286 1.00 0.00 C ATOM 1446 CZ PHE P 51 -5.622 16.725 -11.949 1.00 0.00 C ATOM 0 H PHE P 51 -6.203 19.890 -6.746 1.00 0.00 H new ATOM 0 HA PHE P 51 -5.400 20.786 -9.450 1.00 0.00 H new ATOM 0 HB2 PHE P 51 -7.803 19.204 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE P 51 -7.968 20.316 -9.843 1.00 0.00 H new ATOM 0 HD1 PHE P 51 -4.986 18.212 -8.964 1.00 0.00 H new ATOM 0 HD2 PHE P 51 -8.230 18.893 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE P 51 -4.060 16.499 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE P 51 -7.306 17.177 -13.213 1.00 0.00 H new ATOM 0 HZ PHE P 51 -5.219 15.976 -12.615 1.00 0.00 H new ATOM 1456 N ASN P 52 -6.264 22.416 -7.107 1.00 0.00 N ATOM 1457 CA ASN P 52 -6.811 23.617 -6.475 1.00 0.00 C ATOM 1458 C ASN P 52 -6.039 24.833 -6.927 1.00 0.00 C ATOM 1459 O ASN P 52 -6.472 25.565 -7.816 1.00 0.00 O ATOM 1460 CB ASN P 52 -6.707 23.459 -4.970 1.00 0.00 C ATOM 1461 CG ASN P 52 -7.115 22.037 -4.636 1.00 0.00 C ATOM 1462 OD1 ASN P 52 -8.192 21.793 -4.094 1.00 0.00 O ATOM 1463 ND2 ASN P 52 -6.296 21.079 -4.938 1.00 0.00 N ATOM 0 H ASN P 52 -5.432 22.041 -6.651 1.00 0.00 H new ATOM 0 HA ASN P 52 -7.855 23.748 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN P 52 -5.689 23.656 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN P 52 -7.355 24.174 -4.463 1.00 0.00 H new ATOM 0 HD21 ASN P 52 -6.542 20.112 -4.726 1.00 0.00 H new ATOM 0 HD22 ASN P 52 -5.405 21.292 -5.387 1.00 0.00 H new ATOM 1470 N TRP P 53 -4.854 24.996 -6.370 1.00 0.00 N ATOM 1471 CA TRP P 53 -3.984 26.055 -6.800 1.00 0.00 C ATOM 1472 C TRP P 53 -4.136 26.121 -8.314 1.00 0.00 C ATOM 1473 O TRP P 53 -4.028 27.175 -8.932 1.00 0.00 O ATOM 1474 CB TRP P 53 -2.557 25.633 -6.490 1.00 0.00 C ATOM 1475 CG TRP P 53 -2.380 24.328 -7.181 1.00 0.00 C ATOM 1476 CD1 TRP P 53 -2.981 23.176 -6.808 1.00 0.00 C ATOM 1477 CD2 TRP P 53 -1.613 24.022 -8.377 1.00 0.00 C ATOM 1478 NE1 TRP P 53 -2.664 22.197 -7.708 1.00 0.00 N ATOM 1479 CE2 TRP P 53 -1.810 22.656 -8.686 1.00 0.00 C ATOM 1480 CE3 TRP P 53 -0.777 24.775 -9.221 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 -1.209 22.060 -9.786 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 -0.160 24.174 -10.330 1.00 0.00 C ATOM 1483 CH2 TRP P 53 -0.377 22.818 -10.611 1.00 0.00 C ATOM 0 H TRP P 53 -4.480 24.409 -5.624 1.00 0.00 H new ATOM 0 HA TRP P 53 -4.212 27.006 -6.319 1.00 0.00 H new ATOM 0 HB2 TRP P 53 -1.840 26.371 -6.851 1.00 0.00 H new ATOM 0 HB3 TRP P 53 -2.399 25.535 -5.416 1.00 0.00 H new ATOM 0 HD1 TRP P 53 -3.610 23.049 -5.939 1.00 0.00 H new ATOM 0 HE1 TRP P 53 -3.018 21.241 -7.661 1.00 0.00 H new ATOM 0 HE3 TRP P 53 -0.609 25.822 -9.015 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 -1.384 21.016 -10.002 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 0.485 24.759 -10.969 1.00 0.00 H new ATOM 0 HH2 TRP P 53 0.099 22.360 -11.465 1.00 0.00 H new ATOM 1494 N LEU P 54 -4.416 24.941 -8.886 1.00 0.00 N ATOM 1495 CA LEU P 54 -4.617 24.803 -10.322 1.00 0.00 C ATOM 1496 C LEU P 54 -5.944 25.440 -10.726 1.00 0.00 C ATOM 1497 O LEU P 54 -5.997 26.276 -11.624 1.00 0.00 O ATOM 1498 CB LEU P 54 -4.590 23.306 -10.701 1.00 0.00 C ATOM 1499 CG LEU P 54 -5.953 22.814 -11.229 1.00 0.00 C ATOM 1500 CD1 LEU P 54 -6.364 23.572 -12.498 1.00 0.00 C ATOM 1501 CD2 LEU P 54 -5.838 21.335 -11.586 1.00 0.00 C ATOM 0 H LEU P 54 -4.507 24.068 -8.366 1.00 0.00 H new ATOM 0 HA LEU P 54 -3.817 25.316 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU P 54 -3.826 23.139 -11.461 1.00 0.00 H new ATOM 0 HB3 LEU P 54 -4.306 22.717 -9.829 1.00 0.00 H new ATOM 0 HG LEU P 54 -6.699 22.983 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU P 54 -7.329 23.203 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU P 54 -6.441 24.637 -12.277 1.00 0.00 H new ATOM 0 HD13 LEU P 54 -5.614 23.416 -13.274 1.00 0.00 H new ATOM 0 HD21 LEU P 54 -6.796 20.976 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU P 54 -5.076 21.204 -12.354 1.00 0.00 H new ATOM 0 HD23 LEU P 54 -5.560 20.767 -10.698 1.00 0.00 H new ATOM 1513 N SER P 55 -7.014 25.040 -10.066 1.00 0.00 N ATOM 1514 CA SER P 55 -8.320 25.592 -10.378 1.00 0.00 C ATOM 1515 C SER P 55 -8.274 27.121 -10.310 1.00 0.00 C ATOM 1516 O SER P 55 -9.155 27.805 -10.829 1.00 0.00 O ATOM 1517 CB SER P 55 -9.356 25.072 -9.381 1.00 0.00 C ATOM 1518 OG SER P 55 -10.325 24.297 -10.073 1.00 0.00 O ATOM 0 H SER P 55 -7.007 24.344 -9.320 1.00 0.00 H new ATOM 0 HA SER P 55 -8.599 25.284 -11.386 1.00 0.00 H new ATOM 0 HB2 SER P 55 -8.870 24.468 -8.615 1.00 0.00 H new ATOM 0 HB3 SER P 55 -9.837 25.906 -8.871 1.00 0.00 H new ATOM 0 HG SER P 55 -10.990 23.960 -9.437 1.00 0.00 H new ATOM 1524 N SER P 56 -7.243 27.651 -9.660 1.00 0.00 N ATOM 1525 CA SER P 56 -7.104 29.093 -9.530 1.00 0.00 C ATOM 1526 C SER P 56 -5.775 29.587 -10.120 1.00 0.00 C ATOM 1527 O SER P 56 -5.520 30.790 -10.165 1.00 0.00 O ATOM 1528 CB SER P 56 -7.170 29.482 -8.053 1.00 0.00 C ATOM 1529 OG SER P 56 -8.480 29.940 -7.747 1.00 0.00 O ATOM 0 H SER P 56 -6.500 27.109 -9.220 1.00 0.00 H new ATOM 0 HA SER P 56 -7.920 29.559 -10.083 1.00 0.00 H new ATOM 0 HB2 SER P 56 -6.916 28.626 -7.428 1.00 0.00 H new ATOM 0 HB3 SER P 56 -6.440 30.262 -7.837 1.00 0.00 H new ATOM 0 HG SER P 56 -8.527 30.189 -6.800 1.00 0.00 H new ATOM 1535 N GLN P 57 -4.931 28.666 -10.569 1.00 0.00 N ATOM 1536 CA GLN P 57 -3.646 29.054 -11.145 1.00 0.00 C ATOM 1537 C GLN P 57 -3.758 29.210 -12.660 1.00 0.00 C ATOM 1538 O GLN P 57 -3.128 30.082 -13.256 1.00 0.00 O ATOM 1539 CB GLN P 57 -2.582 27.997 -10.836 1.00 0.00 C ATOM 1540 CG GLN P 57 -1.298 28.330 -11.600 1.00 0.00 C ATOM 1541 CD GLN P 57 -1.206 27.476 -12.869 1.00 0.00 C ATOM 1542 OE1 GLN P 57 -1.100 28.007 -13.973 1.00 0.00 O ATOM 1543 NE2 GLN P 57 -1.242 26.174 -12.773 1.00 0.00 N ATOM 0 H GLN P 57 -5.107 27.661 -10.547 1.00 0.00 H new ATOM 0 HA GLN P 57 -3.358 30.008 -10.703 1.00 0.00 H new ATOM 0 HB2 GLN P 57 -2.383 27.967 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN P 57 -2.942 27.008 -11.121 1.00 0.00 H new ATOM 0 HG2 GLN P 57 -1.285 29.388 -11.862 1.00 0.00 H new ATOM 0 HG3 GLN P 57 -0.430 28.148 -10.966 1.00 0.00 H new ATOM 0 HE21 GLN P 57 -1.330 25.732 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN P 57 -1.182 25.599 -13.613 1.00 0.00 H new