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 -36:sc= -5.56! USER MOD Set 1.2: P 15 CYS SG : rot -100:sc= -10.5! USER MOD Set 1.3: P 22 CYS SG : rot 70:sc= -3.83! USER MOD Set 1.4: P 39 CYS SG : rot -123:sc= 1.64 USER MOD Set 1.5: P 40 SER OG : rot 180:sc= 0.134 USER MOD Set 1.6: P 41 ASN : amide:sc= -21.3! C(o=-48!,f=-55!) USER MOD Set 1.7: P 42 CYS SG : rot -57:sc= -8.03! USER MOD Set 1.8: P 49 CYS SG : rot 19:sc= -0.949 USER MOD Single : P 8 GLN : amide:sc= -0.891 K(o=-0.89,f=-0.17) USER MOD Single : P 9 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : P 10 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-3.2!) USER MOD Single : P 11 SER OG : rot 180:sc= 0 USER MOD Single : P 17 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.258) USER MOD Single : P 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 27 ASN : amide:sc= -3.89! K(o=-3.9!,f=-2.2) USER MOD Single : P 29 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.46) USER MOD Single : P 32 ASN : amide:sc= -3.66 K(o=-3.7,f=-1.8!) USER MOD Single : P 34 ASN : amide:sc= -7.36! C(o=-7.4!,f=-3.9!) USER MOD Single : P 38 SER OG : rot 180:sc= -6.15! USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.17) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -78:sc= 0.657 USER MOD Single : P 52 ASN : amide:sc= -6.11! K(o=-6.1!,f=-0.25) USER MOD Single : P 55 SER OG : rot -20:sc= 0.246 USER MOD Single : P 56 SER OG : rot -27:sc= 0.382 USER MOD Single : P 57 GLN : amide:sc= -3.72! C(o=-3.7!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 -9.324 3.969 17.168 1.00 0.00 N ATOM 734 CA ARG P 6 -8.357 4.425 18.153 1.00 0.00 C ATOM 735 C ARG P 6 -7.651 3.290 18.913 1.00 0.00 C ATOM 736 O ARG P 6 -8.176 2.749 19.885 1.00 0.00 O ATOM 737 CB ARG P 6 -9.066 5.326 19.164 1.00 0.00 C ATOM 738 CG ARG P 6 -8.167 6.503 19.511 1.00 0.00 C ATOM 739 CD ARG P 6 -6.863 5.982 20.100 1.00 0.00 C ATOM 740 NE ARG P 6 -5.877 7.036 20.062 1.00 0.00 N ATOM 741 CZ ARG P 6 -4.912 7.110 20.973 1.00 0.00 C ATOM 742 NH1 ARG P 6 -4.814 6.193 21.898 1.00 0.00 N ATOM 743 NH2 ARG P 6 -4.051 8.090 20.938 1.00 0.00 N ATOM 0 HA ARG P 6 -7.584 4.959 17.601 1.00 0.00 H new ATOM 0 HB2 ARG P 6 -10.009 5.684 18.750 1.00 0.00 H new ATOM 0 HB3 ARG P 6 -9.307 4.761 20.064 1.00 0.00 H new ATOM 0 HG2 ARG P 6 -7.965 7.097 18.620 1.00 0.00 H new ATOM 0 HG3 ARG P 6 -8.666 7.159 20.225 1.00 0.00 H new ATOM 0 HD2 ARG P 6 -7.020 5.649 21.126 1.00 0.00 H new ATOM 0 HD3 ARG P 6 -6.513 5.118 19.535 1.00 0.00 H new ATOM 0 HE ARG P 6 -5.922 7.737 19.322 1.00 0.00 H new ATOM 0 HH11 ARG P 6 -5.478 5.419 21.922 1.00 0.00 H new ATOM 0 HH12 ARG P 6 -4.073 6.251 22.597 1.00 0.00 H new ATOM 0 HH21 ARG P 6 -4.118 8.802 20.210 1.00 0.00 H new ATOM 0 HH22 ARG P 6 -3.311 8.144 21.638 1.00 0.00 H new ATOM 757 N ARG P 7 -6.412 3.014 18.511 1.00 0.00 N ATOM 758 CA ARG P 7 -5.577 2.033 19.205 1.00 0.00 C ATOM 759 C ARG P 7 -5.765 0.570 18.770 1.00 0.00 C ATOM 760 O ARG P 7 -6.555 -0.168 19.357 1.00 0.00 O ATOM 761 CB ARG P 7 -5.845 2.128 20.707 1.00 0.00 C ATOM 762 CG ARG P 7 -4.532 1.939 21.470 1.00 0.00 C ATOM 763 CD ARG P 7 -4.805 1.195 22.779 1.00 0.00 C ATOM 764 NE ARG P 7 -5.179 2.145 23.816 1.00 0.00 N ATOM 765 CZ ARG P 7 -5.450 1.738 25.047 1.00 0.00 C ATOM 766 NH1 ARG P 7 -5.382 0.469 25.346 1.00 0.00 N ATOM 767 NH2 ARG P 7 -5.784 2.607 25.962 1.00 0.00 N ATOM 0 H ARG P 7 -5.963 3.455 17.708 1.00 0.00 H new ATOM 0 HA ARG P 7 -4.552 2.291 18.939 1.00 0.00 H new ATOM 0 HB2 ARG P 7 -6.283 3.096 20.949 1.00 0.00 H new ATOM 0 HB3 ARG P 7 -6.566 1.368 21.008 1.00 0.00 H new ATOM 0 HG2 ARG P 7 -3.823 1.378 20.861 1.00 0.00 H new ATOM 0 HG3 ARG P 7 -4.077 2.908 21.678 1.00 0.00 H new ATOM 0 HD2 ARG P 7 -5.603 0.467 22.635 1.00 0.00 H new ATOM 0 HD3 ARG P 7 -3.918 0.640 23.084 1.00 0.00 H new ATOM 0 HE ARG P 7 -5.233 3.139 23.592 1.00 0.00 H new ATOM 0 HH11 ARG P 7 -5.120 -0.210 24.631 1.00 0.00 H new ATOM 0 HH12 ARG P 7 -5.591 0.157 26.294 1.00 0.00 H new ATOM 0 HH21 ARG P 7 -5.836 3.599 25.729 1.00 0.00 H new ATOM 0 HH22 ARG P 7 -5.993 2.294 26.910 1.00 0.00 H new ATOM 781 N GLN P 8 -4.975 0.141 17.790 1.00 0.00 N ATOM 782 CA GLN P 8 -4.997 -1.247 17.348 1.00 0.00 C ATOM 783 C GLN P 8 -3.567 -1.751 17.128 1.00 0.00 C ATOM 784 O GLN P 8 -3.172 -2.787 17.660 1.00 0.00 O ATOM 785 CB GLN P 8 -5.767 -1.402 16.046 1.00 0.00 C ATOM 786 CG GLN P 8 -6.885 -2.425 16.237 1.00 0.00 C ATOM 787 CD GLN P 8 -7.995 -2.118 15.244 1.00 0.00 C ATOM 788 OE1 GLN P 8 -8.513 -3.012 14.576 1.00 0.00 O ATOM 789 NE2 GLN P 8 -8.391 -0.887 15.110 1.00 0.00 N ATOM 0 H GLN P 8 -4.314 0.734 17.289 1.00 0.00 H new ATOM 0 HA GLN P 8 -5.491 -1.830 18.126 1.00 0.00 H new ATOM 0 HB2 GLN P 8 -6.185 -0.443 15.741 1.00 0.00 H new ATOM 0 HB3 GLN P 8 -5.096 -1.724 15.250 1.00 0.00 H new ATOM 0 HG2 GLN P 8 -6.505 -3.435 16.080 1.00 0.00 H new ATOM 0 HG3 GLN P 8 -7.267 -2.383 17.257 1.00 0.00 H new ATOM 0 HE21 GLN P 8 -7.959 -0.149 15.666 1.00 0.00 H new ATOM 0 HE22 GLN P 8 -9.134 -0.659 14.449 1.00 0.00 H new ATOM 798 N ASN P 9 -2.800 -1.016 16.330 1.00 0.00 N ATOM 799 CA ASN P 9 -1.425 -1.413 16.043 1.00 0.00 C ATOM 800 C ASN P 9 -0.488 -0.209 15.840 1.00 0.00 C ATOM 801 O ASN P 9 0.726 -0.378 15.805 1.00 0.00 O ATOM 802 CB ASN P 9 -1.392 -2.276 14.779 1.00 0.00 C ATOM 803 CG ASN P 9 -2.587 -1.938 13.883 1.00 0.00 C ATOM 804 OD1 ASN P 9 -3.527 -2.723 13.776 1.00 0.00 O ATOM 805 ND2 ASN P 9 -2.607 -0.806 13.230 1.00 0.00 N ATOM 0 H ASN P 9 -3.101 -0.154 15.876 1.00 0.00 H new ATOM 0 HA ASN P 9 -1.070 -1.971 16.909 1.00 0.00 H new ATOM 0 HB2 ASN P 9 -0.461 -2.107 14.237 1.00 0.00 H new ATOM 0 HB3 ASN P 9 -1.416 -3.332 15.049 1.00 0.00 H new ATOM 0 HD21 ASN P 9 -3.401 -0.575 12.633 1.00 0.00 H new ATOM 0 HD22 ASN P 9 -1.828 -0.153 13.317 1.00 0.00 H new ATOM 812 N HIS P 10 -1.041 0.991 15.696 1.00 0.00 N ATOM 813 CA HIS P 10 -0.226 2.177 15.490 1.00 0.00 C ATOM 814 C HIS P 10 0.072 2.372 14.010 1.00 0.00 C ATOM 815 O HIS P 10 0.191 1.414 13.254 1.00 0.00 O ATOM 816 CB HIS P 10 1.081 2.071 16.272 1.00 0.00 C ATOM 817 CG HIS P 10 0.781 1.662 17.688 1.00 0.00 C ATOM 818 ND1 HIS P 10 0.431 2.587 18.663 1.00 0.00 N ATOM 819 CD2 HIS P 10 0.767 0.437 18.309 1.00 0.00 C ATOM 820 CE1 HIS P 10 0.221 1.910 19.809 1.00 0.00 C ATOM 821 NE2 HIS P 10 0.414 0.593 19.644 1.00 0.00 N ATOM 0 H HIS P 10 -2.046 1.165 15.718 1.00 0.00 H new ATOM 0 HA HIS P 10 -0.785 3.039 15.853 1.00 0.00 H new ATOM 0 HB2 HIS P 10 1.741 1.341 15.803 1.00 0.00 H new ATOM 0 HB3 HIS P 10 1.604 3.027 16.260 1.00 0.00 H new ATOM 0 HD2 HIS P 10 0.996 -0.505 17.832 1.00 0.00 H new ATOM 0 HE1 HIS P 10 -0.067 2.370 20.743 1.00 0.00 H new ATOM 0 HE2 HIS P 10 0.321 -0.139 20.349 1.00 0.00 H new ATOM 830 N SER P 11 0.167 3.626 13.604 1.00 0.00 N ATOM 831 CA SER P 11 0.428 3.946 12.211 1.00 0.00 C ATOM 832 C SER P 11 1.742 4.713 12.048 1.00 0.00 C ATOM 833 O SER P 11 2.236 5.327 12.990 1.00 0.00 O ATOM 834 CB SER P 11 -0.728 4.774 11.658 1.00 0.00 C ATOM 835 OG SER P 11 -1.836 4.683 12.546 1.00 0.00 O ATOM 0 H SER P 11 0.068 4.436 14.216 1.00 0.00 H new ATOM 0 HA SER P 11 0.517 3.012 11.656 1.00 0.00 H new ATOM 0 HB2 SER P 11 -0.423 5.814 11.543 1.00 0.00 H new ATOM 0 HB3 SER P 11 -1.009 4.413 10.669 1.00 0.00 H new ATOM 0 HG SER P 11 -2.581 5.215 12.196 1.00 0.00 H new ATOM 841 N CYS P 12 2.314 4.653 10.847 1.00 0.00 N ATOM 842 CA CYS P 12 3.585 5.334 10.587 1.00 0.00 C ATOM 843 C CYS P 12 3.380 6.796 10.133 1.00 0.00 C ATOM 844 O CYS P 12 2.253 7.241 9.909 1.00 0.00 O ATOM 845 CB CYS P 12 4.411 4.558 9.539 1.00 0.00 C ATOM 846 SG CYS P 12 3.567 4.508 7.939 1.00 0.00 S ATOM 0 H CYS P 12 1.927 4.149 10.049 1.00 0.00 H new ATOM 0 HA CYS P 12 4.135 5.359 11.528 1.00 0.00 H new ATOM 0 HB2 CYS P 12 5.388 5.028 9.422 1.00 0.00 H new ATOM 0 HB3 CYS P 12 4.586 3.542 9.892 1.00 0.00 H new ATOM 0 HG CYS P 12 2.284 4.414 8.128 1.00 0.00 H new ATOM 851 N ASP P 13 4.489 7.538 10.031 1.00 0.00 N ATOM 852 CA ASP P 13 4.448 8.955 9.628 1.00 0.00 C ATOM 853 C ASP P 13 3.443 9.208 8.507 1.00 0.00 C ATOM 854 O ASP P 13 2.545 10.050 8.618 1.00 0.00 O ATOM 855 CB ASP P 13 5.832 9.393 9.126 1.00 0.00 C ATOM 856 CG ASP P 13 5.688 10.138 7.795 1.00 0.00 C ATOM 857 OD1 ASP P 13 4.929 11.093 7.751 1.00 0.00 O ATOM 858 OD2 ASP P 13 6.347 9.749 6.844 1.00 0.00 O ATOM 0 H ASP P 13 5.427 7.184 10.221 1.00 0.00 H new ATOM 0 HA ASP P 13 4.146 9.525 10.507 1.00 0.00 H new ATOM 0 HB2 ASP P 13 6.310 10.037 9.864 1.00 0.00 H new ATOM 0 HB3 ASP P 13 6.475 8.522 8.998 1.00 0.00 H new ATOM 863 N PRO P 14 3.599 8.489 7.400 1.00 0.00 N ATOM 864 CA PRO P 14 2.735 8.639 6.226 1.00 0.00 C ATOM 865 C PRO P 14 1.312 8.176 6.517 1.00 0.00 C ATOM 866 O PRO P 14 0.346 8.671 5.932 1.00 0.00 O ATOM 867 CB PRO P 14 3.455 7.814 5.155 1.00 0.00 C ATOM 868 CG PRO P 14 4.233 6.775 5.943 1.00 0.00 C ATOM 869 CD PRO P 14 4.620 7.443 7.255 1.00 0.00 C ATOM 0 HA PRO P 14 2.597 9.672 5.906 1.00 0.00 H new ATOM 0 HB2 PRO P 14 2.747 7.346 4.470 1.00 0.00 H new ATOM 0 HB3 PRO P 14 4.118 8.435 4.553 1.00 0.00 H new ATOM 0 HG2 PRO P 14 3.627 5.887 6.122 1.00 0.00 H new ATOM 0 HG3 PRO P 14 5.118 6.452 5.394 1.00 0.00 H new ATOM 0 HD2 PRO P 14 4.601 6.740 8.088 1.00 0.00 H new ATOM 0 HD3 PRO P 14 5.626 7.862 7.215 1.00 0.00 H new ATOM 877 N CYS P 15 1.183 7.263 7.463 1.00 0.00 N ATOM 878 CA CYS P 15 -0.133 6.792 7.857 1.00 0.00 C ATOM 879 C CYS P 15 -0.944 7.924 8.484 1.00 0.00 C ATOM 880 O CYS P 15 -2.004 8.301 7.988 1.00 0.00 O ATOM 881 CB CYS P 15 -0.002 5.696 8.898 1.00 0.00 C ATOM 882 SG CYS P 15 -0.340 4.103 8.136 1.00 0.00 S ATOM 0 H CYS P 15 1.961 6.838 7.967 1.00 0.00 H new ATOM 0 HA CYS P 15 -0.633 6.420 6.963 1.00 0.00 H new ATOM 0 HB2 CYS P 15 1.001 5.702 9.324 1.00 0.00 H new ATOM 0 HB3 CYS P 15 -0.697 5.874 9.718 1.00 0.00 H new ATOM 0 HG CYS P 15 -1.558 3.741 8.410 1.00 0.00 H new ATOM 887 N ARG P 16 -0.443 8.447 9.595 1.00 0.00 N ATOM 888 CA ARG P 16 -1.144 9.520 10.295 1.00 0.00 C ATOM 889 C ARG P 16 -1.441 10.675 9.337 1.00 0.00 C ATOM 890 O ARG P 16 -2.411 11.410 9.521 1.00 0.00 O ATOM 891 CB ARG P 16 -0.315 10.050 11.482 1.00 0.00 C ATOM 892 CG ARG P 16 0.232 8.890 12.319 1.00 0.00 C ATOM 893 CD ARG P 16 1.389 9.391 13.189 1.00 0.00 C ATOM 894 NE ARG P 16 1.613 8.458 14.287 1.00 0.00 N ATOM 895 CZ ARG P 16 2.551 7.513 14.228 1.00 0.00 C ATOM 896 NH1 ARG P 16 3.331 7.422 13.184 1.00 0.00 N ATOM 897 NH2 ARG P 16 2.696 6.664 15.217 1.00 0.00 N ATOM 0 H ARG P 16 0.433 8.153 10.028 1.00 0.00 H new ATOM 0 HA ARG P 16 -2.078 9.107 10.676 1.00 0.00 H new ATOM 0 HB2 ARG P 16 0.510 10.660 11.113 1.00 0.00 H new ATOM 0 HB3 ARG P 16 -0.934 10.695 12.106 1.00 0.00 H new ATOM 0 HG2 ARG P 16 -0.557 8.477 12.947 1.00 0.00 H new ATOM 0 HG3 ARG P 16 0.574 8.086 11.667 1.00 0.00 H new ATOM 0 HD2 ARG P 16 2.294 9.487 12.589 1.00 0.00 H new ATOM 0 HD3 ARG P 16 1.160 10.382 13.581 1.00 0.00 H new ATOM 0 HE ARG P 16 1.035 8.531 15.124 1.00 0.00 H new ATOM 0 HH11 ARG P 16 3.224 8.076 12.409 1.00 0.00 H new ATOM 0 HH12 ARG P 16 4.047 6.697 13.144 1.00 0.00 H new ATOM 0 HH21 ARG P 16 2.090 6.726 16.035 1.00 0.00 H new ATOM 0 HH22 ARG P 16 3.415 5.942 15.168 1.00 0.00 H new ATOM 911 N LYS P 17 -0.596 10.839 8.325 1.00 0.00 N ATOM 912 CA LYS P 17 -0.778 11.924 7.363 1.00 0.00 C ATOM 913 C LYS P 17 -1.913 11.639 6.365 1.00 0.00 C ATOM 914 O LYS P 17 -2.648 12.547 5.978 1.00 0.00 O ATOM 915 CB LYS P 17 0.520 12.145 6.587 1.00 0.00 C ATOM 916 CG LYS P 17 0.254 13.077 5.403 1.00 0.00 C ATOM 917 CD LYS P 17 0.087 12.250 4.127 1.00 0.00 C ATOM 918 CE LYS P 17 0.674 13.017 2.941 1.00 0.00 C ATOM 919 NZ LYS P 17 -0.009 14.336 2.814 1.00 0.00 N ATOM 0 H LYS P 17 0.213 10.243 8.149 1.00 0.00 H new ATOM 0 HA LYS P 17 -1.046 12.815 7.930 1.00 0.00 H new ATOM 0 HB2 LYS P 17 1.278 12.577 7.241 1.00 0.00 H new ATOM 0 HB3 LYS P 17 0.911 11.191 6.232 1.00 0.00 H new ATOM 0 HG2 LYS P 17 -0.644 13.667 5.586 1.00 0.00 H new ATOM 0 HG3 LYS P 17 1.079 13.780 5.288 1.00 0.00 H new ATOM 0 HD2 LYS P 17 0.589 11.288 4.236 1.00 0.00 H new ATOM 0 HD3 LYS P 17 -0.968 12.041 3.952 1.00 0.00 H new ATOM 0 HE2 LYS P 17 1.745 13.162 3.083 1.00 0.00 H new ATOM 0 HE3 LYS P 17 0.549 12.441 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 0.184 14.738 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 -1.034 14.209 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 0.346 14.983 3.547 1.00 0.00 H new ATOM 933 N GLY P 18 -2.056 10.388 5.952 1.00 0.00 N ATOM 934 CA GLY P 18 -3.106 10.024 5.007 1.00 0.00 C ATOM 935 C GLY P 18 -4.239 9.331 5.738 1.00 0.00 C ATOM 936 O GLY P 18 -5.125 8.733 5.130 1.00 0.00 O ATOM 0 H GLY P 18 -1.465 9.613 6.252 1.00 0.00 H new ATOM 0 HA2 GLY P 18 -3.478 10.915 4.502 1.00 0.00 H new ATOM 0 HA3 GLY P 18 -2.702 9.367 4.237 1.00 0.00 H new ATOM 940 N LYS P 19 -4.187 9.407 7.051 1.00 0.00 N ATOM 941 CA LYS P 19 -5.181 8.788 7.878 1.00 0.00 C ATOM 942 C LYS P 19 -5.405 7.351 7.449 1.00 0.00 C ATOM 943 O LYS P 19 -6.417 7.028 6.855 1.00 0.00 O ATOM 944 CB LYS P 19 -6.480 9.566 7.766 1.00 0.00 C ATOM 945 CG LYS P 19 -6.466 10.671 8.811 1.00 0.00 C ATOM 946 CD LYS P 19 -7.482 11.750 8.435 1.00 0.00 C ATOM 947 CE LYS P 19 -7.446 12.868 9.477 1.00 0.00 C ATOM 948 NZ LYS P 19 -8.712 12.854 10.261 1.00 0.00 N ATOM 0 H LYS P 19 -3.456 9.898 7.565 1.00 0.00 H new ATOM 0 HA LYS P 19 -4.838 8.792 8.912 1.00 0.00 H new ATOM 0 HB2 LYS P 19 -6.584 9.989 6.767 1.00 0.00 H new ATOM 0 HB3 LYS P 19 -7.333 8.906 7.923 1.00 0.00 H new ATOM 0 HG2 LYS P 19 -6.704 10.260 9.792 1.00 0.00 H new ATOM 0 HG3 LYS P 19 -5.469 11.106 8.881 1.00 0.00 H new ATOM 0 HD2 LYS P 19 -7.254 12.151 7.447 1.00 0.00 H new ATOM 0 HD3 LYS P 19 -8.482 11.320 8.381 1.00 0.00 H new ATOM 0 HE2 LYS P 19 -6.592 12.734 10.141 1.00 0.00 H new ATOM 0 HE3 LYS P 19 -7.320 13.833 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 -8.689 13.614 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 -9.518 13.002 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 -8.814 11.936 10.740 1.00 0.00 H new ATOM 962 N ARG P 20 -4.457 6.485 7.732 1.00 0.00 N ATOM 963 CA ARG P 20 -4.628 5.100 7.334 1.00 0.00 C ATOM 964 C ARG P 20 -4.020 4.122 8.330 1.00 0.00 C ATOM 965 O ARG P 20 -3.005 4.392 8.969 1.00 0.00 O ATOM 966 CB ARG P 20 -4.004 4.871 5.963 1.00 0.00 C ATOM 967 CG ARG P 20 -5.063 4.347 5.002 1.00 0.00 C ATOM 968 CD ARG P 20 -6.256 5.282 5.057 1.00 0.00 C ATOM 969 NE ARG P 20 -7.221 4.954 4.036 1.00 0.00 N ATOM 970 CZ ARG P 20 -7.281 5.646 2.923 1.00 0.00 C ATOM 971 NH1 ARG P 20 -6.286 6.413 2.577 1.00 0.00 N ATOM 972 NH2 ARG P 20 -8.317 5.503 2.144 1.00 0.00 N ATOM 0 H ARG P 20 -3.587 6.701 8.219 1.00 0.00 H new ATOM 0 HA ARG P 20 -5.701 4.913 7.301 1.00 0.00 H new ATOM 0 HB2 ARG P 20 -3.583 5.802 5.584 1.00 0.00 H new ATOM 0 HB3 ARG P 20 -3.183 4.158 6.040 1.00 0.00 H new ATOM 0 HG2 ARG P 20 -4.665 4.297 3.988 1.00 0.00 H new ATOM 0 HG3 ARG P 20 -5.360 3.335 5.278 1.00 0.00 H new ATOM 0 HD2 ARG P 20 -6.726 5.220 6.039 1.00 0.00 H new ATOM 0 HD3 ARG P 20 -5.921 6.311 4.928 1.00 0.00 H new ATOM 0 HE ARG P 20 -7.864 4.175 4.181 1.00 0.00 H new ATOM 0 HH11 ARG P 20 -5.460 6.476 3.172 1.00 0.00 H new ATOM 0 HH12 ARG P 20 -6.334 6.951 1.711 1.00 0.00 H new ATOM 0 HH21 ARG P 20 -9.065 4.860 2.404 1.00 0.00 H new ATOM 0 HH22 ARG P 20 -8.379 6.034 1.275 1.00 0.00 H new ATOM 986 N ARG P 21 -4.661 2.969 8.426 1.00 0.00 N ATOM 987 CA ARG P 21 -4.206 1.915 9.310 1.00 0.00 C ATOM 988 C ARG P 21 -2.790 1.511 8.925 1.00 0.00 C ATOM 989 O ARG P 21 -2.283 1.930 7.889 1.00 0.00 O ATOM 990 CB ARG P 21 -5.131 0.712 9.185 1.00 0.00 C ATOM 991 CG ARG P 21 -5.586 0.557 7.728 1.00 0.00 C ATOM 992 CD ARG P 21 -6.256 -0.799 7.558 1.00 0.00 C ATOM 993 NE ARG P 21 -6.699 -1.267 8.858 1.00 0.00 N ATOM 994 CZ ARG P 21 -6.758 -2.564 9.136 1.00 0.00 C ATOM 995 NH1 ARG P 21 -6.472 -3.448 8.217 1.00 0.00 N ATOM 996 NH2 ARG P 21 -7.112 -2.957 10.326 1.00 0.00 N ATOM 0 H ARG P 21 -5.503 2.741 7.898 1.00 0.00 H new ATOM 0 HA ARG P 21 -4.216 2.272 10.340 1.00 0.00 H new ATOM 0 HB2 ARG P 21 -4.615 -0.191 9.513 1.00 0.00 H new ATOM 0 HB3 ARG P 21 -5.997 0.838 9.835 1.00 0.00 H new ATOM 0 HG2 ARG P 21 -6.280 1.355 7.464 1.00 0.00 H new ATOM 0 HG3 ARG P 21 -4.732 0.641 7.056 1.00 0.00 H new ATOM 0 HD2 ARG P 21 -7.103 -0.719 6.877 1.00 0.00 H new ATOM 0 HD3 ARG P 21 -5.559 -1.512 7.117 1.00 0.00 H new ATOM 0 HE ARG P 21 -6.970 -0.589 9.570 1.00 0.00 H new ATOM 0 HH11 ARG P 21 -6.202 -3.143 7.282 1.00 0.00 H new ATOM 0 HH12 ARG P 21 -6.519 -4.443 8.435 1.00 0.00 H new ATOM 0 HH21 ARG P 21 -7.343 -2.269 11.043 1.00 0.00 H new ATOM 0 HH22 ARG P 21 -7.158 -3.953 10.542 1.00 0.00 H new ATOM 1010 N CYS P 22 -2.121 0.758 9.776 1.00 0.00 N ATOM 1011 CA CYS P 22 -0.749 0.414 9.483 1.00 0.00 C ATOM 1012 C CYS P 22 -0.344 -0.968 9.973 1.00 0.00 C ATOM 1013 O CYS P 22 -0.771 -1.434 11.028 1.00 0.00 O ATOM 1014 CB CYS P 22 0.067 1.474 10.180 1.00 0.00 C ATOM 1015 SG CYS P 22 1.824 1.371 9.846 1.00 0.00 S ATOM 0 H CYS P 22 -2.493 0.384 10.649 1.00 0.00 H new ATOM 0 HA CYS P 22 -0.593 0.379 8.405 1.00 0.00 H new ATOM 0 HB2 CYS P 22 -0.294 2.456 9.875 1.00 0.00 H new ATOM 0 HB3 CYS P 22 -0.094 1.395 11.255 1.00 0.00 H new ATOM 0 HG CYS P 22 2.052 1.710 8.612 1.00 0.00 H new ATOM 1020 N ASP P 23 0.530 -1.586 9.200 1.00 0.00 N ATOM 1021 CA ASP P 23 1.058 -2.885 9.543 1.00 0.00 C ATOM 1022 C ASP P 23 2.088 -2.666 10.636 1.00 0.00 C ATOM 1023 O ASP P 23 2.065 -3.314 11.681 1.00 0.00 O ATOM 1024 CB ASP P 23 1.736 -3.497 8.320 1.00 0.00 C ATOM 1025 CG ASP P 23 0.750 -3.526 7.151 1.00 0.00 C ATOM 1026 OD1 ASP P 23 0.619 -2.510 6.487 1.00 0.00 O ATOM 1027 OD2 ASP P 23 0.143 -4.563 6.939 1.00 0.00 O ATOM 0 H ASP P 23 0.889 -1.203 8.325 1.00 0.00 H new ATOM 0 HA ASP P 23 0.267 -3.557 9.876 1.00 0.00 H new ATOM 0 HB2 ASP P 23 2.618 -2.916 8.051 1.00 0.00 H new ATOM 0 HB3 ASP P 23 2.077 -4.507 8.547 1.00 0.00 H new ATOM 1032 N ALA P 24 2.954 -1.692 10.400 1.00 0.00 N ATOM 1033 CA ALA P 24 3.950 -1.324 11.383 1.00 0.00 C ATOM 1034 C ALA P 24 3.242 -1.246 12.743 1.00 0.00 C ATOM 1035 O ALA P 24 2.592 -0.256 13.061 1.00 0.00 O ATOM 1036 CB ALA P 24 4.536 0.041 10.991 1.00 0.00 C ATOM 0 H ALA P 24 2.984 -1.147 9.539 1.00 0.00 H new ATOM 0 HA ALA P 24 4.763 -2.049 11.434 1.00 0.00 H new ATOM 0 HB1 ALA P 24 5.290 0.336 11.721 1.00 0.00 H new ATOM 0 HB2 ALA P 24 4.994 -0.029 10.004 1.00 0.00 H new ATOM 0 HB3 ALA P 24 3.740 0.786 10.969 1.00 0.00 H new ATOM 1042 N PRO P 25 3.293 -2.340 13.523 1.00 0.00 N ATOM 1043 CA PRO P 25 2.594 -2.476 14.808 1.00 0.00 C ATOM 1044 C PRO P 25 3.479 -2.234 16.029 1.00 0.00 C ATOM 1045 O PRO P 25 3.788 -3.165 16.771 1.00 0.00 O ATOM 1046 CB PRO P 25 2.177 -3.944 14.759 1.00 0.00 C ATOM 1047 CG PRO P 25 3.267 -4.632 13.924 1.00 0.00 C ATOM 1048 CD PRO P 25 4.064 -3.537 13.202 1.00 0.00 C ATOM 0 HA PRO P 25 1.791 -1.747 14.918 1.00 0.00 H new ATOM 0 HB2 PRO P 25 2.116 -4.372 15.760 1.00 0.00 H new ATOM 0 HB3 PRO P 25 1.195 -4.061 14.302 1.00 0.00 H new ATOM 0 HG2 PRO P 25 3.922 -5.223 14.564 1.00 0.00 H new ATOM 0 HG3 PRO P 25 2.821 -5.318 13.204 1.00 0.00 H new ATOM 0 HD2 PRO P 25 5.089 -3.472 13.566 1.00 0.00 H new ATOM 0 HD3 PRO P 25 4.117 -3.712 12.127 1.00 0.00 H new ATOM 1056 N GLU P 26 3.901 -0.998 16.233 1.00 0.00 N ATOM 1057 CA GLU P 26 4.760 -0.698 17.366 1.00 0.00 C ATOM 1058 C GLU P 26 5.895 -1.725 17.437 1.00 0.00 C ATOM 1059 O GLU P 26 6.588 -1.839 18.446 1.00 0.00 O ATOM 1060 CB GLU P 26 3.949 -0.748 18.663 1.00 0.00 C ATOM 1061 CG GLU P 26 4.858 -0.417 19.848 1.00 0.00 C ATOM 1062 CD GLU P 26 4.922 -1.616 20.795 1.00 0.00 C ATOM 1063 OE1 GLU P 26 5.685 -2.526 20.516 1.00 0.00 O ATOM 1064 OE2 GLU P 26 4.206 -1.604 21.784 1.00 0.00 O ATOM 0 H GLU P 26 3.669 -0.200 15.642 1.00 0.00 H new ATOM 0 HA GLU P 26 5.178 0.301 17.241 1.00 0.00 H new ATOM 0 HB2 GLU P 26 3.123 -0.038 18.615 1.00 0.00 H new ATOM 0 HB3 GLU P 26 3.511 -1.738 18.792 1.00 0.00 H new ATOM 0 HG2 GLU P 26 5.858 -0.167 19.494 1.00 0.00 H new ATOM 0 HG3 GLU P 26 4.479 0.457 20.377 1.00 0.00 H new ATOM 1071 N ASN P 27 6.084 -2.447 16.338 1.00 0.00 N ATOM 1072 CA ASN P 27 7.128 -3.442 16.235 1.00 0.00 C ATOM 1073 C ASN P 27 7.786 -3.287 14.877 1.00 0.00 C ATOM 1074 O ASN P 27 8.519 -4.155 14.410 1.00 0.00 O ATOM 1075 CB ASN P 27 6.538 -4.847 16.363 1.00 0.00 C ATOM 1076 CG ASN P 27 5.796 -4.962 17.688 1.00 0.00 C ATOM 1077 OD1 ASN P 27 4.775 -5.641 17.782 1.00 0.00 O ATOM 1078 ND2 ASN P 27 6.258 -4.330 18.724 1.00 0.00 N ATOM 0 H ASN P 27 5.514 -2.354 15.497 1.00 0.00 H new ATOM 0 HA ASN P 27 7.856 -3.303 17.034 1.00 0.00 H new ATOM 0 HB2 ASN P 27 5.859 -5.046 15.534 1.00 0.00 H new ATOM 0 HB3 ASN P 27 7.331 -5.593 16.311 1.00 0.00 H new ATOM 0 HD21 ASN P 27 5.774 -4.396 19.619 1.00 0.00 H new ATOM 0 HD22 ASN P 27 7.105 -3.768 18.642 1.00 0.00 H new ATOM 1085 N ARG P 28 7.511 -2.150 14.266 1.00 0.00 N ATOM 1086 CA ARG P 28 8.066 -1.826 12.972 1.00 0.00 C ATOM 1087 C ARG P 28 9.578 -1.821 13.088 1.00 0.00 C ATOM 1088 O ARG P 28 10.306 -2.098 12.137 1.00 0.00 O ATOM 1089 CB ARG P 28 7.580 -0.443 12.558 1.00 0.00 C ATOM 1090 CG ARG P 28 7.887 -0.221 11.082 1.00 0.00 C ATOM 1091 CD ARG P 28 7.700 1.255 10.741 1.00 0.00 C ATOM 1092 NE ARG P 28 8.606 2.040 11.559 1.00 0.00 N ATOM 1093 CZ ARG P 28 9.889 2.150 11.242 1.00 0.00 C ATOM 1094 NH1 ARG P 28 10.330 1.645 10.125 1.00 0.00 N ATOM 1095 NH2 ARG P 28 10.708 2.781 12.037 1.00 0.00 N ATOM 0 H ARG P 28 6.900 -1.431 14.653 1.00 0.00 H new ATOM 0 HA ARG P 28 7.753 -2.557 12.227 1.00 0.00 H new ATOM 0 HB2 ARG P 28 6.508 -0.354 12.736 1.00 0.00 H new ATOM 0 HB3 ARG P 28 8.068 0.322 13.162 1.00 0.00 H new ATOM 0 HG2 ARG P 28 8.909 -0.530 10.861 1.00 0.00 H new ATOM 0 HG3 ARG P 28 7.229 -0.834 10.466 1.00 0.00 H new ATOM 0 HD2 ARG P 28 7.901 1.427 9.683 1.00 0.00 H new ATOM 0 HD3 ARG P 28 6.669 1.557 10.923 1.00 0.00 H new ATOM 0 HE ARG P 28 8.251 2.514 12.390 1.00 0.00 H new ATOM 0 HH11 ARG P 28 9.688 1.165 9.494 1.00 0.00 H new ATOM 0 HH12 ARG P 28 11.317 1.730 9.881 1.00 0.00 H new ATOM 0 HH21 ARG P 28 10.362 3.191 12.905 1.00 0.00 H new ATOM 0 HH22 ARG P 28 11.694 2.864 11.791 1.00 0.00 H new ATOM 1109 N ASN P 29 10.027 -1.527 14.288 1.00 0.00 N ATOM 1110 CA ASN P 29 11.450 -1.513 14.573 1.00 0.00 C ATOM 1111 C ASN P 29 11.969 -2.944 14.491 1.00 0.00 C ATOM 1112 O ASN P 29 12.883 -3.258 13.724 1.00 0.00 O ATOM 1113 CB ASN P 29 11.700 -0.956 15.977 1.00 0.00 C ATOM 1114 CG ASN P 29 10.675 0.139 16.282 1.00 0.00 C ATOM 1115 OD1 ASN P 29 10.123 0.192 17.380 1.00 0.00 O ATOM 1116 ND2 ASN P 29 10.390 1.022 15.365 1.00 0.00 N ATOM 0 H ASN P 29 9.431 -1.294 15.083 1.00 0.00 H new ATOM 0 HA ASN P 29 11.966 -0.880 13.851 1.00 0.00 H new ATOM 0 HB2 ASN P 29 11.625 -1.755 16.715 1.00 0.00 H new ATOM 0 HB3 ASN P 29 12.710 -0.552 16.045 1.00 0.00 H new ATOM 0 HD21 ASN P 29 9.709 1.757 15.558 1.00 0.00 H new ATOM 0 HD22 ASN P 29 10.848 0.978 14.455 1.00 0.00 H new ATOM 1123 N GLU P 30 11.344 -3.815 15.263 1.00 0.00 N ATOM 1124 CA GLU P 30 11.712 -5.214 15.249 1.00 0.00 C ATOM 1125 C GLU P 30 11.478 -5.770 13.848 1.00 0.00 C ATOM 1126 O GLU P 30 12.063 -6.780 13.457 1.00 0.00 O ATOM 1127 CB GLU P 30 10.860 -5.990 16.257 1.00 0.00 C ATOM 1128 CG GLU P 30 11.042 -5.389 17.652 1.00 0.00 C ATOM 1129 CD GLU P 30 11.365 -6.503 18.650 1.00 0.00 C ATOM 1130 OE1 GLU P 30 10.538 -7.386 18.809 1.00 0.00 O ATOM 1131 OE2 GLU P 30 12.433 -6.453 19.238 1.00 0.00 O ATOM 0 H GLU P 30 10.585 -3.578 15.902 1.00 0.00 H new ATOM 0 HA GLU P 30 12.762 -5.318 15.522 1.00 0.00 H new ATOM 0 HB2 GLU P 30 9.810 -5.951 15.967 1.00 0.00 H new ATOM 0 HB3 GLU P 30 11.151 -7.041 16.262 1.00 0.00 H new ATOM 0 HG2 GLU P 30 11.846 -4.653 17.640 1.00 0.00 H new ATOM 0 HG3 GLU P 30 10.135 -4.866 17.955 1.00 0.00 H new ATOM 1138 N ALA P 31 10.643 -5.070 13.081 1.00 0.00 N ATOM 1139 CA ALA P 31 10.363 -5.473 11.721 1.00 0.00 C ATOM 1140 C ALA P 31 11.638 -5.293 10.926 1.00 0.00 C ATOM 1141 O ALA P 31 12.149 -6.230 10.313 1.00 0.00 O ATOM 1142 CB ALA P 31 9.255 -4.603 11.143 1.00 0.00 C ATOM 0 H ALA P 31 10.155 -4.227 13.384 1.00 0.00 H new ATOM 0 HA ALA P 31 10.032 -6.511 11.683 1.00 0.00 H new ATOM 0 HB1 ALA P 31 9.048 -4.911 10.118 1.00 0.00 H new ATOM 0 HB2 ALA P 31 8.353 -4.715 11.745 1.00 0.00 H new ATOM 0 HB3 ALA P 31 9.570 -3.559 11.152 1.00 0.00 H new ATOM 1148 N ASN P 32 12.173 -4.085 11.004 1.00 0.00 N ATOM 1149 CA ASN P 32 13.427 -3.783 10.353 1.00 0.00 C ATOM 1150 C ASN P 32 14.441 -4.817 10.818 1.00 0.00 C ATOM 1151 O ASN P 32 15.332 -5.225 10.075 1.00 0.00 O ATOM 1152 CB ASN P 32 13.900 -2.391 10.765 1.00 0.00 C ATOM 1153 CG ASN P 32 12.881 -1.345 10.317 1.00 0.00 C ATOM 1154 OD1 ASN P 32 12.564 -1.241 9.133 1.00 0.00 O ATOM 1155 ND2 ASN P 32 12.348 -0.559 11.210 1.00 0.00 N ATOM 0 H ASN P 32 11.757 -3.304 11.511 1.00 0.00 H new ATOM 0 HA ASN P 32 13.312 -3.807 9.269 1.00 0.00 H new ATOM 0 HB2 ASN P 32 14.030 -2.346 11.846 1.00 0.00 H new ATOM 0 HB3 ASN P 32 14.872 -2.180 10.319 1.00 0.00 H new ATOM 0 HD21 ASN P 32 11.666 0.145 10.928 1.00 0.00 H new ATOM 0 HD22 ASN P 32 12.613 -0.648 12.191 1.00 0.00 H new ATOM 1162 N GLU P 33 14.265 -5.255 12.060 1.00 0.00 N ATOM 1163 CA GLU P 33 15.135 -6.273 12.626 1.00 0.00 C ATOM 1164 C GLU P 33 15.082 -7.515 11.737 1.00 0.00 C ATOM 1165 O GLU P 33 16.112 -8.051 11.332 1.00 0.00 O ATOM 1166 CB GLU P 33 14.672 -6.634 14.038 1.00 0.00 C ATOM 1167 CG GLU P 33 15.876 -7.069 14.874 1.00 0.00 C ATOM 1168 CD GLU P 33 16.673 -5.835 15.303 1.00 0.00 C ATOM 1169 OE1 GLU P 33 16.593 -4.832 14.613 1.00 0.00 O ATOM 1170 OE2 GLU P 33 17.350 -5.914 16.315 1.00 0.00 O ATOM 0 H GLU P 33 13.533 -4.923 12.688 1.00 0.00 H new ATOM 0 HA GLU P 33 16.155 -5.893 12.678 1.00 0.00 H new ATOM 0 HB2 GLU P 33 14.184 -5.777 14.502 1.00 0.00 H new ATOM 0 HB3 GLU P 33 13.936 -7.436 13.997 1.00 0.00 H new ATOM 0 HG2 GLU P 33 15.542 -7.622 15.752 1.00 0.00 H new ATOM 0 HG3 GLU P 33 16.510 -7.741 14.296 1.00 0.00 H new ATOM 1177 N ASN P 34 13.867 -7.935 11.396 1.00 0.00 N ATOM 1178 CA ASN P 34 13.697 -9.073 10.510 1.00 0.00 C ATOM 1179 C ASN P 34 13.416 -8.560 9.111 1.00 0.00 C ATOM 1180 O ASN P 34 12.880 -9.251 8.247 1.00 0.00 O ATOM 1181 CB ASN P 34 12.555 -9.957 10.955 1.00 0.00 C ATOM 1182 CG ASN P 34 11.826 -9.340 12.137 1.00 0.00 C ATOM 1183 OD1 ASN P 34 11.947 -9.808 13.268 1.00 0.00 O ATOM 1184 ND2 ASN P 34 11.073 -8.308 11.937 1.00 0.00 N ATOM 0 H ASN P 34 12.998 -7.508 11.717 1.00 0.00 H new ATOM 0 HA ASN P 34 14.610 -9.668 10.530 1.00 0.00 H new ATOM 0 HB2 ASN P 34 11.859 -10.104 10.129 1.00 0.00 H new ATOM 0 HB3 ASN P 34 12.936 -10.941 11.230 1.00 0.00 H new ATOM 0 HD21 ASN P 34 10.577 -7.879 12.719 1.00 0.00 H new ATOM 0 HD22 ASN P 34 10.975 -7.923 10.998 1.00 0.00 H new ATOM 1191 N GLY P 35 13.802 -7.327 8.934 1.00 0.00 N ATOM 1192 CA GLY P 35 13.641 -6.622 7.681 1.00 0.00 C ATOM 1193 C GLY P 35 12.188 -6.276 7.383 1.00 0.00 C ATOM 1194 O GLY P 35 11.372 -7.131 7.044 1.00 0.00 O ATOM 0 H GLY P 35 14.245 -6.770 9.665 1.00 0.00 H new ATOM 0 HA2 GLY P 35 14.230 -5.706 7.706 1.00 0.00 H new ATOM 0 HA3 GLY P 35 14.038 -7.234 6.871 1.00 0.00 H new ATOM 1198 N TRP P 36 11.896 -4.990 7.503 1.00 0.00 N ATOM 1199 CA TRP P 36 10.568 -4.470 7.242 1.00 0.00 C ATOM 1200 C TRP P 36 10.567 -3.807 5.858 1.00 0.00 C ATOM 1201 O TRP P 36 10.962 -4.439 4.880 1.00 0.00 O ATOM 1202 CB TRP P 36 10.217 -3.471 8.351 1.00 0.00 C ATOM 1203 CG TRP P 36 8.849 -2.886 8.167 1.00 0.00 C ATOM 1204 CD1 TRP P 36 8.455 -1.713 8.700 1.00 0.00 C ATOM 1205 CD2 TRP P 36 7.708 -3.387 7.408 1.00 0.00 C ATOM 1206 NE1 TRP P 36 7.153 -1.469 8.346 1.00 0.00 N ATOM 1207 CE2 TRP P 36 6.649 -2.460 7.553 1.00 0.00 C ATOM 1208 CE3 TRP P 36 7.466 -4.524 6.628 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 5.412 -2.643 6.957 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 6.211 -4.713 6.015 1.00 0.00 C ATOM 1211 CH2 TRP P 36 5.188 -3.772 6.183 1.00 0.00 C ATOM 0 H TRP P 36 12.573 -4.281 7.784 1.00 0.00 H new ATOM 0 HA TRP P 36 9.819 -5.261 7.240 1.00 0.00 H new ATOM 0 HB2 TRP P 36 10.271 -3.970 9.319 1.00 0.00 H new ATOM 0 HB3 TRP P 36 10.955 -2.669 8.364 1.00 0.00 H new ATOM 0 HD1 TRP P 36 9.068 -1.067 9.310 1.00 0.00 H new ATOM 0 HE1 TRP P 36 6.625 -0.647 8.639 1.00 0.00 H new ATOM 0 HE3 TRP P 36 8.245 -5.260 6.495 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 4.628 -1.913 7.094 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 6.037 -5.591 5.411 1.00 0.00 H new ATOM 0 HH2 TRP P 36 4.228 -3.925 5.712 1.00 0.00 H new ATOM 1222 N VAL P 37 10.150 -2.546 5.766 1.00 0.00 N ATOM 1223 CA VAL P 37 10.139 -1.858 4.478 1.00 0.00 C ATOM 1224 C VAL P 37 9.104 -0.729 4.460 1.00 0.00 C ATOM 1225 O VAL P 37 9.454 0.449 4.514 1.00 0.00 O ATOM 1226 CB VAL P 37 9.810 -2.846 3.357 1.00 0.00 C ATOM 1227 CG1 VAL P 37 8.748 -3.832 3.846 1.00 0.00 C ATOM 1228 CG2 VAL P 37 9.274 -2.081 2.145 1.00 0.00 C ATOM 0 H VAL P 37 9.821 -1.988 6.554 1.00 0.00 H new ATOM 0 HA VAL P 37 11.130 -1.432 4.324 1.00 0.00 H new ATOM 0 HB VAL P 37 10.711 -3.390 3.074 1.00 0.00 H new ATOM 0 HG11 VAL P 37 8.512 -4.537 3.049 1.00 0.00 H new ATOM 0 HG12 VAL P 37 9.127 -4.376 4.711 1.00 0.00 H new ATOM 0 HG13 VAL P 37 7.847 -3.287 4.127 1.00 0.00 H new ATOM 0 HG21 VAL P 37 9.039 -2.784 1.346 1.00 0.00 H new ATOM 0 HG22 VAL P 37 8.372 -1.538 2.427 1.00 0.00 H new ATOM 0 HG23 VAL P 37 10.028 -1.375 1.797 1.00 0.00 H new ATOM 1238 N SER P 38 7.832 -1.094 4.370 1.00 0.00 N ATOM 1239 CA SER P 38 6.773 -0.106 4.329 1.00 0.00 C ATOM 1240 C SER P 38 5.411 -0.761 4.568 1.00 0.00 C ATOM 1241 O SER P 38 5.090 -1.796 3.985 1.00 0.00 O ATOM 1242 CB SER P 38 6.769 0.577 2.965 1.00 0.00 C ATOM 1243 OG SER P 38 7.667 -0.101 2.096 1.00 0.00 O ATOM 0 H SER P 38 7.514 -2.062 4.324 1.00 0.00 H new ATOM 0 HA SER P 38 6.952 0.628 5.115 1.00 0.00 H new ATOM 0 HB2 SER P 38 5.763 0.569 2.545 1.00 0.00 H new ATOM 0 HB3 SER P 38 7.064 1.621 3.068 1.00 0.00 H new ATOM 0 HG SER P 38 7.665 0.335 1.218 1.00 0.00 H new ATOM 1249 N CYS P 39 4.612 -0.140 5.421 1.00 0.00 N ATOM 1250 CA CYS P 39 3.282 -0.663 5.720 1.00 0.00 C ATOM 1251 C CYS P 39 2.382 -0.494 4.510 1.00 0.00 C ATOM 1252 O CYS P 39 2.858 -0.420 3.391 1.00 0.00 O ATOM 1253 CB CYS P 39 2.651 0.079 6.879 1.00 0.00 C ATOM 1254 SG CYS P 39 2.299 1.744 6.324 1.00 0.00 S ATOM 0 H CYS P 39 4.855 0.718 5.916 1.00 0.00 H new ATOM 0 HA CYS P 39 3.391 -1.716 5.980 1.00 0.00 H new ATOM 0 HB2 CYS P 39 1.737 -0.419 7.201 1.00 0.00 H new ATOM 0 HB3 CYS P 39 3.324 0.095 7.736 1.00 0.00 H new ATOM 0 HG CYS P 39 2.894 2.596 7.104 1.00 0.00 H new ATOM 1259 N SER P 40 1.083 -0.407 4.728 1.00 0.00 N ATOM 1260 CA SER P 40 0.178 -0.259 3.585 1.00 0.00 C ATOM 1261 C SER P 40 0.250 1.150 3.000 1.00 0.00 C ATOM 1262 O SER P 40 0.121 1.370 1.787 1.00 0.00 O ATOM 1263 CB SER P 40 -1.257 -0.544 4.028 1.00 0.00 C ATOM 1264 OG SER P 40 -1.349 -0.397 5.439 1.00 0.00 O ATOM 0 H SER P 40 0.636 -0.434 5.644 1.00 0.00 H new ATOM 0 HA SER P 40 0.484 -0.969 2.817 1.00 0.00 H new ATOM 0 HB2 SER P 40 -1.946 0.141 3.533 1.00 0.00 H new ATOM 0 HB3 SER P 40 -1.547 -1.553 3.736 1.00 0.00 H new ATOM 0 HG SER P 40 -2.268 -0.577 5.727 1.00 0.00 H new ATOM 1270 N ASN P 41 0.446 2.087 3.889 1.00 0.00 N ATOM 1271 CA ASN P 41 0.511 3.489 3.530 1.00 0.00 C ATOM 1272 C ASN P 41 1.770 3.827 2.770 1.00 0.00 C ATOM 1273 O ASN P 41 1.730 4.037 1.565 1.00 0.00 O ATOM 1274 CB ASN P 41 0.463 4.330 4.789 1.00 0.00 C ATOM 1275 CG ASN P 41 -0.928 4.223 5.383 1.00 0.00 C ATOM 1276 OD1 ASN P 41 -1.624 5.223 5.505 1.00 0.00 O ATOM 1277 ND2 ASN P 41 -1.362 3.049 5.776 1.00 0.00 N ATOM 0 H ASN P 41 0.566 1.905 4.885 1.00 0.00 H new ATOM 0 HA ASN P 41 -0.341 3.701 2.884 1.00 0.00 H new ATOM 0 HB2 ASN P 41 1.209 3.984 5.505 1.00 0.00 H new ATOM 0 HB3 ASN P 41 0.699 5.369 4.560 1.00 0.00 H new ATOM 0 HD21 ASN P 41 -2.290 2.961 6.189 1.00 0.00 H new ATOM 0 HD22 ASN P 41 -0.771 2.225 5.668 1.00 0.00 H new ATOM 1284 N CYS P 42 2.890 3.891 3.463 1.00 0.00 N ATOM 1285 CA CYS P 42 4.115 4.223 2.766 1.00 0.00 C ATOM 1286 C CYS P 42 4.251 3.301 1.568 1.00 0.00 C ATOM 1287 O CYS P 42 4.910 3.615 0.579 1.00 0.00 O ATOM 1288 CB CYS P 42 5.319 4.068 3.671 1.00 0.00 C ATOM 1289 SG CYS P 42 5.252 2.519 4.502 1.00 0.00 S ATOM 0 H CYS P 42 2.978 3.725 4.466 1.00 0.00 H new ATOM 0 HA CYS P 42 4.072 5.264 2.445 1.00 0.00 H new ATOM 0 HB2 CYS P 42 6.236 4.136 3.085 1.00 0.00 H new ATOM 0 HB3 CYS P 42 5.344 4.879 4.398 1.00 0.00 H new ATOM 0 HG CYS P 42 4.137 2.430 5.165 1.00 0.00 H new ATOM 1294 N LYS P 43 3.602 2.161 1.663 1.00 0.00 N ATOM 1295 CA LYS P 43 3.635 1.208 0.579 1.00 0.00 C ATOM 1296 C LYS P 43 3.114 1.855 -0.693 1.00 0.00 C ATOM 1297 O LYS P 43 3.877 2.100 -1.614 1.00 0.00 O ATOM 1298 CB LYS P 43 2.752 0.004 0.891 1.00 0.00 C ATOM 1299 CG LYS P 43 3.618 -1.156 1.369 1.00 0.00 C ATOM 1300 CD LYS P 43 4.280 -1.840 0.171 1.00 0.00 C ATOM 1301 CE LYS P 43 3.513 -3.117 -0.177 1.00 0.00 C ATOM 1302 NZ LYS P 43 4.442 -4.098 -0.807 1.00 0.00 N ATOM 0 H LYS P 43 3.051 1.875 2.472 1.00 0.00 H new ATOM 0 HA LYS P 43 4.668 0.884 0.450 1.00 0.00 H new ATOM 0 HB2 LYS P 43 2.021 0.265 1.657 1.00 0.00 H new ATOM 0 HB3 LYS P 43 2.192 -0.289 0.003 1.00 0.00 H new ATOM 0 HG2 LYS P 43 4.380 -0.792 2.058 1.00 0.00 H new ATOM 0 HG3 LYS P 43 3.009 -1.874 1.918 1.00 0.00 H new ATOM 0 HD2 LYS P 43 4.292 -1.166 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS P 43 5.318 -2.079 0.403 1.00 0.00 H new ATOM 0 HE2 LYS P 43 3.070 -3.545 0.723 1.00 0.00 H new ATOM 0 HE3 LYS P 43 2.693 -2.888 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 3.921 -4.967 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 4.844 -3.688 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 5.210 -4.325 -0.143 1.00 0.00 H new ATOM 1316 N ARG P 44 1.812 2.122 -0.733 1.00 0.00 N ATOM 1317 CA ARG P 44 1.206 2.722 -1.916 1.00 0.00 C ATOM 1318 C ARG P 44 1.778 4.105 -2.215 1.00 0.00 C ATOM 1319 O ARG P 44 1.789 4.555 -3.357 1.00 0.00 O ATOM 1320 CB ARG P 44 -0.305 2.837 -1.726 1.00 0.00 C ATOM 1321 CG ARG P 44 -0.682 3.182 -0.279 1.00 0.00 C ATOM 1322 CD ARG P 44 -1.771 2.213 0.219 1.00 0.00 C ATOM 1323 NE ARG P 44 -2.873 2.144 -0.744 1.00 0.00 N ATOM 1324 CZ ARG P 44 -2.906 1.212 -1.701 1.00 0.00 C ATOM 1325 NH1 ARG P 44 -1.993 0.278 -1.755 1.00 0.00 N ATOM 1326 NH2 ARG P 44 -3.872 1.212 -2.578 1.00 0.00 N ATOM 0 H ARG P 44 1.163 1.935 0.031 1.00 0.00 H new ATOM 0 HA ARG P 44 1.433 2.071 -2.760 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.696 3.604 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.778 1.896 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.197 3.116 0.362 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -1.042 4.209 -0.222 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -1.344 1.221 0.365 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -2.146 2.544 1.187 1.00 0.00 H new ATOM 0 HE ARG P 44 -3.632 2.823 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -1.245 0.255 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -2.029 -0.428 -2.490 1.00 0.00 H new ATOM 0 HH21 ARG P 44 -4.602 1.923 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -3.897 0.501 -3.309 1.00 0.00 H new ATOM 1340 N TRP P 45 2.227 4.770 -1.184 1.00 0.00 N ATOM 1341 CA TRP P 45 2.783 6.111 -1.322 1.00 0.00 C ATOM 1342 C TRP P 45 4.298 6.117 -1.160 1.00 0.00 C ATOM 1343 O TRP P 45 4.900 7.145 -0.856 1.00 0.00 O ATOM 1344 CB TRP P 45 2.116 7.007 -0.291 1.00 0.00 C ATOM 1345 CG TRP P 45 0.679 6.959 -0.626 1.00 0.00 C ATOM 1346 CD1 TRP P 45 0.235 6.944 -1.887 1.00 0.00 C ATOM 1347 CD2 TRP P 45 -0.492 6.873 0.236 1.00 0.00 C ATOM 1348 NE1 TRP P 45 -1.123 6.851 -1.885 1.00 0.00 N ATOM 1349 CE2 TRP P 45 -1.645 6.819 -0.593 1.00 0.00 C ATOM 1350 CE3 TRP P 45 -0.674 6.844 1.630 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 -2.934 6.737 -0.036 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 -1.964 6.756 2.179 1.00 0.00 C ATOM 1353 CH2 TRP P 45 -3.088 6.707 1.344 1.00 0.00 C ATOM 0 H TRP P 45 2.223 4.411 -0.229 1.00 0.00 H new ATOM 0 HA TRP P 45 2.584 6.484 -2.327 1.00 0.00 H new ATOM 0 HB2 TRP P 45 2.299 6.649 0.722 1.00 0.00 H new ATOM 0 HB3 TRP P 45 2.501 8.025 -0.343 1.00 0.00 H new ATOM 0 HD1 TRP P 45 0.856 6.997 -2.769 1.00 0.00 H new ATOM 0 HE1 TRP P 45 -1.692 6.810 -2.730 1.00 0.00 H new ATOM 0 HE3 TRP P 45 0.185 6.890 2.284 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 -3.801 6.698 -0.679 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 -2.090 6.726 3.251 1.00 0.00 H new ATOM 0 HH2 TRP P 45 -4.077 6.646 1.774 1.00 0.00 H new ATOM 1364 N ASN P 46 4.896 4.962 -1.393 1.00 0.00 N ATOM 1365 CA ASN P 46 6.341 4.813 -1.301 1.00 0.00 C ATOM 1366 C ASN P 46 6.911 5.821 -0.310 1.00 0.00 C ATOM 1367 O ASN P 46 7.945 6.441 -0.554 1.00 0.00 O ATOM 1368 CB ASN P 46 6.974 5.038 -2.676 1.00 0.00 C ATOM 1369 CG ASN P 46 8.121 4.050 -2.881 1.00 0.00 C ATOM 1370 OD1 ASN P 46 8.542 3.802 -4.010 1.00 0.00 O ATOM 1371 ND2 ASN P 46 8.655 3.467 -1.845 1.00 0.00 N ATOM 0 H ASN P 46 4.401 4.108 -1.649 1.00 0.00 H new ATOM 0 HA ASN P 46 6.568 3.804 -0.956 1.00 0.00 H new ATOM 0 HB2 ASN P 46 6.225 4.909 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN P 46 7.343 6.061 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN P 46 9.421 2.806 -1.971 1.00 0.00 H new ATOM 0 HD22 ASN P 46 8.307 3.672 -0.909 1.00 0.00 H new ATOM 1378 N LYS P 47 6.212 5.993 0.795 1.00 0.00 N ATOM 1379 CA LYS P 47 6.633 6.943 1.805 1.00 0.00 C ATOM 1380 C LYS P 47 7.852 6.429 2.575 1.00 0.00 C ATOM 1381 O LYS P 47 8.893 6.149 1.985 1.00 0.00 O ATOM 1382 CB LYS P 47 5.479 7.191 2.770 1.00 0.00 C ATOM 1383 CG LYS P 47 4.341 7.918 2.049 1.00 0.00 C ATOM 1384 CD LYS P 47 4.802 9.314 1.623 1.00 0.00 C ATOM 1385 CE LYS P 47 5.016 10.183 2.864 1.00 0.00 C ATOM 1386 NZ LYS P 47 4.961 11.621 2.477 1.00 0.00 N ATOM 0 H LYS P 47 5.353 5.489 1.015 1.00 0.00 H new ATOM 0 HA LYS P 47 6.915 7.873 1.312 1.00 0.00 H new ATOM 0 HB2 LYS P 47 5.120 6.243 3.171 1.00 0.00 H new ATOM 0 HB3 LYS P 47 5.823 7.786 3.616 1.00 0.00 H new ATOM 0 HG2 LYS P 47 4.029 7.346 1.175 1.00 0.00 H new ATOM 0 HG3 LYS P 47 3.474 7.996 2.705 1.00 0.00 H new ATOM 0 HD2 LYS P 47 5.727 9.244 1.051 1.00 0.00 H new ATOM 0 HD3 LYS P 47 4.058 9.771 0.970 1.00 0.00 H new ATOM 0 HE2 LYS P 47 4.251 9.966 3.610 1.00 0.00 H new ATOM 0 HE3 LYS P 47 5.979 9.954 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 5.106 12.213 3.320 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 5.706 11.822 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 4.032 11.833 2.061 1.00 0.00 H new ATOM 1400 N ASP P 48 7.729 6.323 3.890 1.00 0.00 N ATOM 1401 CA ASP P 48 8.846 5.863 4.696 1.00 0.00 C ATOM 1402 C ASP P 48 8.388 5.381 6.075 1.00 0.00 C ATOM 1403 O ASP P 48 8.532 6.090 7.069 1.00 0.00 O ATOM 1404 CB ASP P 48 9.842 7.007 4.874 1.00 0.00 C ATOM 1405 CG ASP P 48 11.207 6.441 5.268 1.00 0.00 C ATOM 1406 OD1 ASP P 48 11.716 5.609 4.534 1.00 0.00 O ATOM 1407 OD2 ASP P 48 11.721 6.850 6.296 1.00 0.00 O ATOM 0 H ASP P 48 6.882 6.545 4.413 1.00 0.00 H new ATOM 0 HA ASP P 48 9.311 5.024 4.179 1.00 0.00 H new ATOM 0 HB2 ASP P 48 9.926 7.577 3.949 1.00 0.00 H new ATOM 0 HB3 ASP P 48 9.487 7.696 5.641 1.00 0.00 H new ATOM 1412 N CYS P 49 7.858 4.170 6.126 1.00 0.00 N ATOM 1413 CA CYS P 49 7.408 3.598 7.386 1.00 0.00 C ATOM 1414 C CYS P 49 8.362 4.002 8.483 1.00 0.00 C ATOM 1415 O CYS P 49 9.386 3.355 8.696 1.00 0.00 O ATOM 1416 CB CYS P 49 7.411 2.072 7.313 1.00 0.00 C ATOM 1417 SG CYS P 49 5.865 1.452 8.008 1.00 0.00 S ATOM 0 H CYS P 49 7.729 3.566 5.314 1.00 0.00 H new ATOM 0 HA CYS P 49 6.399 3.959 7.586 1.00 0.00 H new ATOM 0 HB2 CYS P 49 7.518 1.744 6.279 1.00 0.00 H new ATOM 0 HB3 CYS P 49 8.261 1.670 7.865 1.00 0.00 H new ATOM 0 HG CYS P 49 4.982 2.406 8.021 1.00 0.00 H new ATOM 1422 N THR P 50 8.050 5.074 9.169 1.00 0.00 N ATOM 1423 CA THR P 50 8.944 5.510 10.212 1.00 0.00 C ATOM 1424 C THR P 50 8.261 5.615 11.564 1.00 0.00 C ATOM 1425 O THR P 50 7.148 6.136 11.699 1.00 0.00 O ATOM 1426 CB THR P 50 9.556 6.858 9.852 1.00 0.00 C ATOM 1427 OG1 THR P 50 8.607 7.624 9.140 1.00 0.00 O ATOM 1428 CG2 THR P 50 10.790 6.627 8.988 1.00 0.00 C ATOM 0 H THR P 50 7.215 5.643 9.032 1.00 0.00 H new ATOM 0 HA THR P 50 9.722 4.751 10.293 1.00 0.00 H new ATOM 0 HB THR P 50 9.842 7.394 10.757 1.00 0.00 H new ATOM 0 HG1 THR P 50 8.566 7.313 8.212 1.00 0.00 H new ATOM 0 HG21 THR P 50 11.235 7.587 8.725 1.00 0.00 H new ATOM 0 HG22 THR P 50 11.515 6.030 9.541 1.00 0.00 H new ATOM 0 HG23 THR P 50 10.504 6.099 8.079 1.00 0.00 H new ATOM 1436 N PHE P 51 8.980 5.124 12.553 1.00 0.00 N ATOM 1437 CA PHE P 51 8.554 5.154 13.936 1.00 0.00 C ATOM 1438 C PHE P 51 9.717 5.739 14.750 1.00 0.00 C ATOM 1439 O PHE P 51 9.878 5.481 15.943 1.00 0.00 O ATOM 1440 CB PHE P 51 8.262 3.732 14.435 1.00 0.00 C ATOM 1441 CG PHE P 51 6.836 3.336 14.136 1.00 0.00 C ATOM 1442 CD1 PHE P 51 6.250 3.641 12.899 1.00 0.00 C ATOM 1443 CD2 PHE P 51 6.100 2.655 15.107 1.00 0.00 C ATOM 1444 CE1 PHE P 51 4.927 3.262 12.640 1.00 0.00 C ATOM 1445 CE2 PHE P 51 4.781 2.276 14.849 1.00 0.00 C ATOM 1446 CZ PHE P 51 4.192 2.579 13.615 1.00 0.00 C ATOM 0 H PHE P 51 9.891 4.686 12.415 1.00 0.00 H new ATOM 0 HA PHE P 51 7.647 5.750 14.042 1.00 0.00 H new ATOM 0 HB2 PHE P 51 8.946 3.028 13.960 1.00 0.00 H new ATOM 0 HB3 PHE P 51 8.441 3.675 15.509 1.00 0.00 H new ATOM 0 HD1 PHE P 51 6.818 4.168 12.147 1.00 0.00 H new ATOM 0 HD2 PHE P 51 6.552 2.421 16.060 1.00 0.00 H new ATOM 0 HE1 PHE P 51 4.474 3.497 11.688 1.00 0.00 H new ATOM 0 HE2 PHE P 51 4.214 1.749 15.602 1.00 0.00 H new ATOM 0 HZ PHE P 51 3.172 2.286 13.416 1.00 0.00 H new ATOM 1456 N ASN P 52 10.541 6.511 14.055 1.00 0.00 N ATOM 1457 CA ASN P 52 11.729 7.124 14.641 1.00 0.00 C ATOM 1458 C ASN P 52 11.442 8.557 15.028 1.00 0.00 C ATOM 1459 O ASN P 52 11.216 8.871 16.197 1.00 0.00 O ATOM 1460 CB ASN P 52 12.841 7.087 13.611 1.00 0.00 C ATOM 1461 CG ASN P 52 12.794 5.733 12.932 1.00 0.00 C ATOM 1462 OD1 ASN P 52 13.630 4.865 13.177 1.00 0.00 O ATOM 1463 ND2 ASN P 52 11.844 5.512 12.082 1.00 0.00 N ATOM 0 H ASN P 52 10.406 6.731 13.068 1.00 0.00 H new ATOM 0 HA ASN P 52 12.023 6.577 15.537 1.00 0.00 H new ATOM 0 HB2 ASN P 52 12.713 7.886 12.881 1.00 0.00 H new ATOM 0 HB3 ASN P 52 13.809 7.243 14.087 1.00 0.00 H new ATOM 0 HD21 ASN P 52 11.783 4.611 11.608 1.00 0.00 H new ATOM 0 HD22 ASN P 52 11.156 6.239 11.886 1.00 0.00 H new ATOM 1470 N TRP P 53 11.375 9.414 14.025 1.00 0.00 N ATOM 1471 CA TRP P 53 11.013 10.783 14.265 1.00 0.00 C ATOM 1472 C TRP P 53 9.855 10.729 15.255 1.00 0.00 C ATOM 1473 O TRP P 53 9.648 11.633 16.057 1.00 0.00 O ATOM 1474 CB TRP P 53 10.512 11.381 12.958 1.00 0.00 C ATOM 1475 CG TRP P 53 9.373 10.526 12.540 1.00 0.00 C ATOM 1476 CD1 TRP P 53 9.485 9.234 12.164 1.00 0.00 C ATOM 1477 CD2 TRP P 53 7.957 10.849 12.486 1.00 0.00 C ATOM 1478 NE1 TRP P 53 8.243 8.731 11.925 1.00 0.00 N ATOM 1479 CE2 TRP P 53 7.262 9.683 12.091 1.00 0.00 C ATOM 1480 CE3 TRP P 53 7.207 12.011 12.740 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 5.884 9.665 11.958 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 5.810 11.999 12.597 1.00 0.00 C ATOM 1483 CH2 TRP P 53 5.150 10.826 12.206 1.00 0.00 C ATOM 0 H TRP P 53 11.566 9.182 13.050 1.00 0.00 H new ATOM 0 HA TRP P 53 11.847 11.377 14.640 1.00 0.00 H new ATOM 0 HB2 TRP P 53 10.196 12.415 13.095 1.00 0.00 H new ATOM 0 HB3 TRP P 53 11.297 11.385 12.202 1.00 0.00 H new ATOM 0 HD1 TRP P 53 10.412 8.687 12.068 1.00 0.00 H new ATOM 0 HE1 TRP P 53 8.061 7.764 11.655 1.00 0.00 H new ATOM 0 HE3 TRP P 53 7.708 12.917 13.047 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 5.379 8.757 11.664 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 5.242 12.897 12.789 1.00 0.00 H new ATOM 0 HH2 TRP P 53 4.076 10.820 12.097 1.00 0.00 H new ATOM 1494 N LEU P 54 9.117 9.609 15.184 1.00 0.00 N ATOM 1495 CA LEU P 54 7.990 9.378 16.072 1.00 0.00 C ATOM 1496 C LEU P 54 8.497 9.130 17.485 1.00 0.00 C ATOM 1497 O LEU P 54 8.063 9.777 18.437 1.00 0.00 O ATOM 1498 CB LEU P 54 7.158 8.176 15.573 1.00 0.00 C ATOM 1499 CG LEU P 54 7.288 6.950 16.504 1.00 0.00 C ATOM 1500 CD1 LEU P 54 6.763 7.250 17.913 1.00 0.00 C ATOM 1501 CD2 LEU P 54 6.454 5.806 15.934 1.00 0.00 C ATOM 0 H LEU P 54 9.289 8.856 14.518 1.00 0.00 H new ATOM 0 HA LEU P 54 7.348 10.259 16.078 1.00 0.00 H new ATOM 0 HB2 LEU P 54 6.110 8.466 15.502 1.00 0.00 H new ATOM 0 HB3 LEU P 54 7.482 7.904 14.569 1.00 0.00 H new ATOM 0 HG LEU P 54 8.345 6.690 16.566 1.00 0.00 H new ATOM 0 HD11 LEU P 54 6.871 6.364 18.538 1.00 0.00 H new ATOM 0 HD12 LEU P 54 7.333 8.072 18.346 1.00 0.00 H new ATOM 0 HD13 LEU P 54 5.711 7.528 17.858 1.00 0.00 H new ATOM 0 HD21 LEU P 54 6.539 4.935 16.584 1.00 0.00 H new ATOM 0 HD22 LEU P 54 5.410 6.113 15.872 1.00 0.00 H new ATOM 0 HD23 LEU P 54 6.817 5.552 14.938 1.00 0.00 H new ATOM 1513 N SER P 55 9.421 8.196 17.623 1.00 0.00 N ATOM 1514 CA SER P 55 9.973 7.908 18.932 1.00 0.00 C ATOM 1515 C SER P 55 10.548 9.193 19.535 1.00 0.00 C ATOM 1516 O SER P 55 10.831 9.262 20.729 1.00 0.00 O ATOM 1517 CB SER P 55 11.080 6.860 18.815 1.00 0.00 C ATOM 1518 OG SER P 55 11.663 6.648 20.094 1.00 0.00 O ATOM 0 H SER P 55 9.798 7.634 16.860 1.00 0.00 H new ATOM 0 HA SER P 55 9.183 7.521 19.576 1.00 0.00 H new ATOM 0 HB2 SER P 55 10.673 5.926 18.429 1.00 0.00 H new ATOM 0 HB3 SER P 55 11.839 7.193 18.107 1.00 0.00 H new ATOM 0 HG SER P 55 11.464 7.412 20.675 1.00 0.00 H new ATOM 1524 N SER P 56 10.723 10.211 18.696 1.00 0.00 N ATOM 1525 CA SER P 56 11.265 11.477 19.161 1.00 0.00 C ATOM 1526 C SER P 56 10.294 12.642 18.904 1.00 0.00 C ATOM 1527 O SER P 56 10.574 13.779 19.280 1.00 0.00 O ATOM 1528 CB SER P 56 12.585 11.762 18.445 1.00 0.00 C ATOM 1529 OG SER P 56 12.314 12.241 17.135 1.00 0.00 O ATOM 0 H SER P 56 10.499 10.182 17.701 1.00 0.00 H new ATOM 0 HA SER P 56 11.423 11.395 20.236 1.00 0.00 H new ATOM 0 HB2 SER P 56 13.162 12.500 19.002 1.00 0.00 H new ATOM 0 HB3 SER P 56 13.189 10.856 18.396 1.00 0.00 H new ATOM 0 HG SER P 56 11.451 11.891 16.831 1.00 0.00 H new ATOM 1535 N GLN P 57 9.159 12.369 18.264 1.00 0.00 N ATOM 1536 CA GLN P 57 8.195 13.430 17.984 1.00 0.00 C ATOM 1537 C GLN P 57 7.121 13.494 19.063 1.00 0.00 C ATOM 1538 O GLN P 57 6.687 14.574 19.462 1.00 0.00 O ATOM 1539 CB GLN P 57 7.508 13.183 16.639 1.00 0.00 C ATOM 1540 CG GLN P 57 6.554 14.346 16.333 1.00 0.00 C ATOM 1541 CD GLN P 57 5.215 14.145 17.058 1.00 0.00 C ATOM 1542 OE1 GLN P 57 4.805 14.986 17.857 1.00 0.00 O ATOM 1543 NE2 GLN P 57 4.507 13.071 16.823 1.00 0.00 N ATOM 0 H GLN P 57 8.888 11.442 17.935 1.00 0.00 H new ATOM 0 HA GLN P 57 8.744 14.371 17.961 1.00 0.00 H new ATOM 0 HB2 GLN P 57 8.253 13.092 15.849 1.00 0.00 H new ATOM 0 HB3 GLN P 57 6.956 12.243 16.667 1.00 0.00 H new ATOM 0 HG2 GLN P 57 7.006 15.287 16.645 1.00 0.00 H new ATOM 0 HG3 GLN P 57 6.386 14.414 15.258 1.00 0.00 H new ATOM 0 HE21 GLN P 57 4.845 12.372 16.161 1.00 0.00 H new ATOM 0 HE22 GLN P 57 3.617 12.932 17.302 1.00 0.00 H new