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 29 ASN : amide:sc= -4.57! C(o=-11!,f=-11!) USER MOD Set 1.2: P 52 ASN : amide:sc= -5.97! K(o=-11!,f=-4.6) USER MOD Set 2.1: P 12 CYS SG : rot -141:sc= -2.12! USER MOD Set 2.2: P 15 CYS SG : rot 127:sc= -9.56! USER MOD Set 2.3: P 22 CYS SG : rot -143:sc= -0.614 USER MOD Set 2.4: P 39 CYS SG : rot -134:sc= -0.442! USER MOD Set 2.5: P 41 ASN : amide:sc= -11.5! C(o=-29!,f=-34!) USER MOD Set 2.6: P 42 CYS SG : rot 79:sc= -4.58! USER MOD Set 2.7: P 49 CYS SG : rot -70:sc= -0.584! USER MOD Single : P 8 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.26) USER MOD Single : P 9 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.23) USER MOD Single : P 10 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-2.7!) 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= -4.25! C(o=-4.2!,f=-4.7!) USER MOD Single : P 32 ASN : amide:sc= -11.5! C(o=-11!,f=-15!) USER MOD Single : P 34 ASN : amide:sc= -3.15! C(o=-3.1!,f=-1.2!) USER MOD Single : P 38 SER OG : rot 9:sc= 0.673 USER MOD Single : P 40 SER OG : rot 180:sc= -0.884 USER MOD Single : P 43 LYS NZ :NH3+ -143:sc= -0.34 (180deg=-2!) USER MOD Single : P 46 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot -91:sc= 0.728 USER MOD Single : P 55 SER OG : rot 180:sc= 0 USER MOD Single : P 56 SER OG : rot 180:sc= 0 USER MOD Single : P 57 GLN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 5.427 10.984 24.530 1.00 0.00 N ATOM 734 CA ARG P 6 6.223 10.153 25.418 1.00 0.00 C ATOM 735 C ARG P 6 5.458 8.951 26.003 1.00 0.00 C ATOM 736 O ARG P 6 4.493 9.100 26.752 1.00 0.00 O ATOM 737 CB ARG P 6 6.746 11.011 26.570 1.00 0.00 C ATOM 738 CG ARG P 6 8.223 10.697 26.806 1.00 0.00 C ATOM 739 CD ARG P 6 8.368 9.235 27.226 1.00 0.00 C ATOM 740 NE ARG P 6 9.619 8.693 26.724 1.00 0.00 N ATOM 741 CZ ARG P 6 10.125 7.583 27.248 1.00 0.00 C ATOM 742 NH1 ARG P 6 9.501 6.985 28.227 1.00 0.00 N ATOM 743 NH2 ARG P 6 11.241 7.086 26.790 1.00 0.00 N ATOM 0 HA ARG P 6 7.034 9.746 24.814 1.00 0.00 H new ATOM 0 HB2 ARG P 6 6.620 12.068 26.337 1.00 0.00 H new ATOM 0 HB3 ARG P 6 6.172 10.814 27.475 1.00 0.00 H new ATOM 0 HG2 ARG P 6 8.796 10.885 25.898 1.00 0.00 H new ATOM 0 HG3 ARG P 6 8.627 11.351 27.579 1.00 0.00 H new ATOM 0 HD2 ARG P 6 8.339 9.156 28.313 1.00 0.00 H new ATOM 0 HD3 ARG P 6 7.530 8.653 26.841 1.00 0.00 H new ATOM 0 HE ARG P 6 10.110 9.167 25.966 1.00 0.00 H new ATOM 0 HH11 ARG P 6 8.628 7.371 28.587 1.00 0.00 H new ATOM 0 HH12 ARG P 6 9.887 6.132 28.632 1.00 0.00 H new ATOM 0 HH21 ARG P 6 11.730 7.551 26.025 1.00 0.00 H new ATOM 0 HH22 ARG P 6 11.624 6.233 27.197 1.00 0.00 H new ATOM 757 N ARG P 7 5.977 7.766 25.700 1.00 0.00 N ATOM 758 CA ARG P 7 5.455 6.504 26.226 1.00 0.00 C ATOM 759 C ARG P 7 3.976 6.223 25.926 1.00 0.00 C ATOM 760 O ARG P 7 3.082 6.690 26.631 1.00 0.00 O ATOM 761 CB ARG P 7 5.649 6.485 27.743 1.00 0.00 C ATOM 762 CG ARG P 7 5.411 5.069 28.271 1.00 0.00 C ATOM 763 CD ARG P 7 4.632 5.138 29.586 1.00 0.00 C ATOM 764 NE ARG P 7 5.507 4.796 30.697 1.00 0.00 N ATOM 765 CZ ARG P 7 5.054 4.778 31.942 1.00 0.00 C ATOM 766 NH1 ARG P 7 3.806 5.070 32.187 1.00 0.00 N ATOM 767 NH2 ARG P 7 5.857 4.468 32.924 1.00 0.00 N ATOM 0 H ARG P 7 6.777 7.650 25.078 1.00 0.00 H new ATOM 0 HA ARG P 7 6.017 5.723 25.714 1.00 0.00 H new ATOM 0 HB2 ARG P 7 6.657 6.814 27.995 1.00 0.00 H new ATOM 0 HB3 ARG P 7 4.958 7.182 28.217 1.00 0.00 H new ATOM 0 HG2 ARG P 7 4.856 4.485 27.537 1.00 0.00 H new ATOM 0 HG3 ARG P 7 6.364 4.563 28.427 1.00 0.00 H new ATOM 0 HD2 ARG P 7 4.226 6.140 29.726 1.00 0.00 H new ATOM 0 HD3 ARG P 7 3.785 4.452 29.554 1.00 0.00 H new ATOM 0 HE ARG P 7 6.484 4.567 30.515 1.00 0.00 H new ATOM 0 HH11 ARG P 7 3.179 5.312 31.420 1.00 0.00 H new ATOM 0 HH12 ARG P 7 3.458 5.056 33.146 1.00 0.00 H new ATOM 0 HH21 ARG P 7 6.833 4.240 32.732 1.00 0.00 H new ATOM 0 HH22 ARG P 7 5.509 4.454 33.883 1.00 0.00 H new ATOM 781 N GLN P 8 3.740 5.392 24.917 1.00 0.00 N ATOM 782 CA GLN P 8 2.389 4.972 24.571 1.00 0.00 C ATOM 783 C GLN P 8 2.386 3.529 24.062 1.00 0.00 C ATOM 784 O GLN P 8 1.671 2.678 24.589 1.00 0.00 O ATOM 785 CB GLN P 8 1.795 5.866 23.501 1.00 0.00 C ATOM 786 CG GLN P 8 0.545 6.537 24.057 1.00 0.00 C ATOM 787 CD GLN P 8 0.580 8.012 23.694 1.00 0.00 C ATOM 788 OE1 GLN P 8 0.011 8.850 24.393 1.00 0.00 O ATOM 789 NE2 GLN P 8 1.225 8.377 22.626 1.00 0.00 N ATOM 0 H GLN P 8 4.469 4.996 24.324 1.00 0.00 H new ATOM 0 HA GLN P 8 1.786 5.045 25.476 1.00 0.00 H new ATOM 0 HB2 GLN P 8 2.521 6.618 23.192 1.00 0.00 H new ATOM 0 HB3 GLN P 8 1.547 5.281 22.616 1.00 0.00 H new ATOM 0 HG2 GLN P 8 -0.349 6.068 23.647 1.00 0.00 H new ATOM 0 HG3 GLN P 8 0.501 6.415 25.139 1.00 0.00 H new ATOM 0 HE21 GLN P 8 1.695 7.678 22.050 1.00 0.00 H new ATOM 0 HE22 GLN P 8 1.261 9.362 22.364 1.00 0.00 H new ATOM 798 N ASN P 9 3.176 3.258 23.031 1.00 0.00 N ATOM 799 CA ASN P 9 3.224 1.909 22.474 1.00 0.00 C ATOM 800 C ASN P 9 4.603 1.550 21.898 1.00 0.00 C ATOM 801 O ASN P 9 4.797 0.439 21.415 1.00 0.00 O ATOM 802 CB ASN P 9 2.177 1.772 21.366 1.00 0.00 C ATOM 803 CG ASN P 9 1.969 3.122 20.674 1.00 0.00 C ATOM 804 OD1 ASN P 9 0.877 3.686 20.723 1.00 0.00 O ATOM 805 ND2 ASN P 9 2.958 3.677 20.027 1.00 0.00 N ATOM 0 H ASN P 9 3.781 3.937 22.570 1.00 0.00 H new ATOM 0 HA ASN P 9 3.018 1.222 23.295 1.00 0.00 H new ATOM 0 HB2 ASN P 9 2.500 1.027 20.639 1.00 0.00 H new ATOM 0 HB3 ASN P 9 1.235 1.420 21.786 1.00 0.00 H new ATOM 0 HD21 ASN P 9 2.824 4.576 19.564 1.00 0.00 H new ATOM 0 HD22 ASN P 9 3.865 3.212 19.985 1.00 0.00 H new ATOM 812 N HIS P 10 5.558 2.468 21.943 1.00 0.00 N ATOM 813 CA HIS P 10 6.878 2.177 21.412 1.00 0.00 C ATOM 814 C HIS P 10 6.881 2.290 19.885 1.00 0.00 C ATOM 815 O HIS P 10 5.906 1.942 19.223 1.00 0.00 O ATOM 816 CB HIS P 10 7.289 0.760 21.816 1.00 0.00 C ATOM 817 CG HIS P 10 6.868 0.498 23.238 1.00 0.00 C ATOM 818 ND1 HIS P 10 7.636 0.898 24.324 1.00 0.00 N ATOM 819 CD2 HIS P 10 5.765 -0.126 23.770 1.00 0.00 C ATOM 820 CE1 HIS P 10 6.992 0.514 25.443 1.00 0.00 C ATOM 821 NE2 HIS P 10 5.844 -0.115 25.156 1.00 0.00 N ATOM 0 H HIS P 10 5.446 3.403 22.334 1.00 0.00 H new ATOM 0 HA HIS P 10 7.585 2.900 21.819 1.00 0.00 H new ATOM 0 HB2 HIS P 10 6.826 0.032 21.149 1.00 0.00 H new ATOM 0 HB3 HIS P 10 8.368 0.642 21.718 1.00 0.00 H new ATOM 0 HD2 HIS P 10 4.959 -0.559 23.197 1.00 0.00 H new ATOM 0 HE1 HIS P 10 7.355 0.691 26.445 1.00 0.00 H new ATOM 0 HE2 HIS P 10 5.171 -0.504 25.816 1.00 0.00 H new ATOM 830 N SER P 11 7.982 2.782 19.338 1.00 0.00 N ATOM 831 CA SER P 11 8.104 2.939 17.891 1.00 0.00 C ATOM 832 C SER P 11 9.252 2.077 17.351 1.00 0.00 C ATOM 833 O SER P 11 10.160 1.707 18.091 1.00 0.00 O ATOM 834 CB SER P 11 8.375 4.405 17.552 1.00 0.00 C ATOM 835 OG SER P 11 7.672 5.235 18.467 1.00 0.00 O ATOM 0 H SER P 11 8.801 3.079 19.868 1.00 0.00 H new ATOM 0 HA SER P 11 7.170 2.618 17.429 1.00 0.00 H new ATOM 0 HB2 SER P 11 9.444 4.611 17.604 1.00 0.00 H new ATOM 0 HB3 SER P 11 8.058 4.619 16.531 1.00 0.00 H new ATOM 0 HG SER P 11 7.844 6.176 18.254 1.00 0.00 H new ATOM 841 N CYS P 12 9.201 1.749 16.063 1.00 0.00 N ATOM 842 CA CYS P 12 10.252 0.910 15.458 1.00 0.00 C ATOM 843 C CYS P 12 11.616 1.587 15.472 1.00 0.00 C ATOM 844 O CYS P 12 11.721 2.799 15.599 1.00 0.00 O ATOM 845 CB CYS P 12 9.915 0.600 14.005 1.00 0.00 C ATOM 846 SG CYS P 12 8.172 0.212 13.895 1.00 0.00 S ATOM 0 H CYS P 12 8.463 2.040 15.422 1.00 0.00 H new ATOM 0 HA CYS P 12 10.295 0.001 16.058 1.00 0.00 H new ATOM 0 HB2 CYS P 12 10.153 1.454 13.371 1.00 0.00 H new ATOM 0 HB3 CYS P 12 10.513 -0.239 13.648 1.00 0.00 H new ATOM 0 HG CYS P 12 7.996 -0.757 13.047 1.00 0.00 H new ATOM 851 N ASP P 13 12.660 0.782 15.304 1.00 0.00 N ATOM 852 CA ASP P 13 14.018 1.318 15.266 1.00 0.00 C ATOM 853 C ASP P 13 14.092 2.564 14.383 1.00 0.00 C ATOM 854 O ASP P 13 14.612 3.612 14.780 1.00 0.00 O ATOM 855 CB ASP P 13 14.949 0.287 14.655 1.00 0.00 C ATOM 856 CG ASP P 13 15.791 0.951 13.564 1.00 0.00 C ATOM 857 OD1 ASP P 13 16.510 1.883 13.884 1.00 0.00 O ATOM 858 OD2 ASP P 13 15.702 0.517 12.427 1.00 0.00 O ATOM 0 H ASP P 13 12.596 -0.230 15.193 1.00 0.00 H new ATOM 0 HA ASP P 13 14.305 1.566 16.288 1.00 0.00 H new ATOM 0 HB2 ASP P 13 15.596 -0.136 15.423 1.00 0.00 H new ATOM 0 HB3 ASP P 13 14.372 -0.537 14.235 1.00 0.00 H new ATOM 863 N PRO P 14 13.585 2.445 13.151 1.00 0.00 N ATOM 864 CA PRO P 14 13.605 3.533 12.164 1.00 0.00 C ATOM 865 C PRO P 14 12.659 4.663 12.540 1.00 0.00 C ATOM 866 O PRO P 14 12.855 5.818 12.158 1.00 0.00 O ATOM 867 CB PRO P 14 13.189 2.834 10.866 1.00 0.00 C ATOM 868 CG PRO P 14 12.335 1.664 11.330 1.00 0.00 C ATOM 869 CD PRO P 14 12.918 1.223 12.664 1.00 0.00 C ATOM 0 HA PRO P 14 14.577 4.020 12.087 1.00 0.00 H new ATOM 0 HB2 PRO P 14 12.627 3.504 10.215 1.00 0.00 H new ATOM 0 HB3 PRO P 14 14.057 2.494 10.301 1.00 0.00 H new ATOM 0 HG2 PRO P 14 11.292 1.961 11.439 1.00 0.00 H new ATOM 0 HG3 PRO P 14 12.360 0.851 10.605 1.00 0.00 H new ATOM 0 HD2 PRO P 14 12.143 0.884 13.352 1.00 0.00 H new ATOM 0 HD3 PRO P 14 13.621 0.399 12.545 1.00 0.00 H new ATOM 877 N CYS P 15 11.645 4.329 13.311 1.00 0.00 N ATOM 878 CA CYS P 15 10.695 5.329 13.742 1.00 0.00 C ATOM 879 C CYS P 15 11.324 6.247 14.792 1.00 0.00 C ATOM 880 O CYS P 15 11.204 7.466 14.720 1.00 0.00 O ATOM 881 CB CYS P 15 9.457 4.628 14.290 1.00 0.00 C ATOM 882 SG CYS P 15 8.565 3.956 12.872 1.00 0.00 S ATOM 0 H CYS P 15 11.460 3.384 13.648 1.00 0.00 H new ATOM 0 HA CYS P 15 10.405 5.953 12.897 1.00 0.00 H new ATOM 0 HB2 CYS P 15 9.737 3.834 14.982 1.00 0.00 H new ATOM 0 HB3 CYS P 15 8.831 5.327 14.844 1.00 0.00 H new ATOM 0 HG CYS P 15 8.350 2.687 13.056 1.00 0.00 H new ATOM 887 N ARG P 16 12.024 5.662 15.742 1.00 0.00 N ATOM 888 CA ARG P 16 12.684 6.447 16.771 1.00 0.00 C ATOM 889 C ARG P 16 13.751 7.337 16.139 1.00 0.00 C ATOM 890 O ARG P 16 14.021 8.440 16.611 1.00 0.00 O ATOM 891 CB ARG P 16 13.353 5.520 17.787 1.00 0.00 C ATOM 892 CG ARG P 16 12.388 4.401 18.179 1.00 0.00 C ATOM 893 CD ARG P 16 13.170 3.103 18.388 1.00 0.00 C ATOM 894 NE ARG P 16 12.814 2.539 19.682 1.00 0.00 N ATOM 895 CZ ARG P 16 12.248 1.333 19.797 1.00 0.00 C ATOM 896 NH1 ARG P 16 12.125 0.550 18.755 1.00 0.00 N ATOM 897 NH2 ARG P 16 11.834 0.909 20.966 1.00 0.00 N ATOM 0 H ARG P 16 12.152 4.653 15.825 1.00 0.00 H new ATOM 0 HA ARG P 16 11.938 7.063 17.272 1.00 0.00 H new ATOM 0 HB2 ARG P 16 14.263 5.096 17.363 1.00 0.00 H new ATOM 0 HB3 ARG P 16 13.647 6.086 18.671 1.00 0.00 H new ATOM 0 HG2 ARG P 16 11.856 4.668 19.092 1.00 0.00 H new ATOM 0 HG3 ARG P 16 11.637 4.264 17.401 1.00 0.00 H new ATOM 0 HD2 ARG P 16 12.942 2.394 17.592 1.00 0.00 H new ATOM 0 HD3 ARG P 16 14.242 3.298 18.344 1.00 0.00 H new ATOM 0 HE ARG P 16 13.002 3.080 20.526 1.00 0.00 H new ATOM 0 HH11 ARG P 16 12.463 0.858 17.843 1.00 0.00 H new ATOM 0 HH12 ARG P 16 11.692 -0.368 18.855 1.00 0.00 H new ATOM 0 HH21 ARG P 16 11.943 1.499 21.791 1.00 0.00 H new ATOM 0 HH22 ARG P 16 11.403 -0.011 21.051 1.00 0.00 H new ATOM 911 N LYS P 17 14.358 6.838 15.072 1.00 0.00 N ATOM 912 CA LYS P 17 15.405 7.582 14.383 1.00 0.00 C ATOM 913 C LYS P 17 14.817 8.619 13.420 1.00 0.00 C ATOM 914 O LYS P 17 15.476 9.600 13.077 1.00 0.00 O ATOM 915 CB LYS P 17 16.286 6.612 13.594 1.00 0.00 C ATOM 916 CG LYS P 17 17.740 7.086 13.646 1.00 0.00 C ATOM 917 CD LYS P 17 18.580 6.266 12.664 1.00 0.00 C ATOM 918 CE LYS P 17 18.049 4.832 12.612 1.00 0.00 C ATOM 919 NZ LYS P 17 19.150 3.909 12.213 1.00 0.00 N ATOM 0 H LYS P 17 14.146 5.927 14.666 1.00 0.00 H new ATOM 0 HA LYS P 17 15.994 8.106 15.135 1.00 0.00 H new ATOM 0 HB2 LYS P 17 16.204 5.608 14.011 1.00 0.00 H new ATOM 0 HB3 LYS P 17 15.947 6.556 12.559 1.00 0.00 H new ATOM 0 HG2 LYS P 17 17.798 8.145 13.394 1.00 0.00 H new ATOM 0 HG3 LYS P 17 18.133 6.977 14.657 1.00 0.00 H new ATOM 0 HD2 LYS P 17 18.541 6.716 11.672 1.00 0.00 H new ATOM 0 HD3 LYS P 17 19.625 6.267 12.974 1.00 0.00 H new ATOM 0 HE2 LYS P 17 17.653 4.544 13.586 1.00 0.00 H new ATOM 0 HE3 LYS P 17 17.226 4.763 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 18.790 2.934 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 19.508 4.180 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 19.921 3.968 12.908 1.00 0.00 H new ATOM 933 N GLY P 18 13.583 8.405 12.987 1.00 0.00 N ATOM 934 CA GLY P 18 12.944 9.336 12.072 1.00 0.00 C ATOM 935 C GLY P 18 11.967 10.231 12.819 1.00 0.00 C ATOM 936 O GLY P 18 11.332 11.097 12.235 1.00 0.00 O ATOM 0 H GLY P 18 13.010 7.603 13.252 1.00 0.00 H new ATOM 0 HA2 GLY P 18 13.700 9.946 11.578 1.00 0.00 H new ATOM 0 HA3 GLY P 18 12.418 8.785 11.292 1.00 0.00 H new ATOM 940 N LYS P 19 11.853 10.003 14.113 1.00 0.00 N ATOM 941 CA LYS P 19 10.958 10.770 14.941 1.00 0.00 C ATOM 942 C LYS P 19 9.518 10.489 14.561 1.00 0.00 C ATOM 943 O LYS P 19 8.818 11.356 14.051 1.00 0.00 O ATOM 944 CB LYS P 19 11.253 12.248 14.770 1.00 0.00 C ATOM 945 CG LYS P 19 12.191 12.669 15.886 1.00 0.00 C ATOM 946 CD LYS P 19 12.612 14.125 15.686 1.00 0.00 C ATOM 947 CE LYS P 19 13.376 14.611 16.917 1.00 0.00 C ATOM 948 NZ LYS P 19 12.767 15.880 17.405 1.00 0.00 N ATOM 0 H LYS P 19 12.377 9.284 14.613 1.00 0.00 H new ATOM 0 HA LYS P 19 11.107 10.485 15.983 1.00 0.00 H new ATOM 0 HB2 LYS P 19 11.708 12.436 13.798 1.00 0.00 H new ATOM 0 HB3 LYS P 19 10.331 12.828 14.808 1.00 0.00 H new ATOM 0 HG2 LYS P 19 11.698 12.553 16.851 1.00 0.00 H new ATOM 0 HG3 LYS P 19 13.070 12.025 15.897 1.00 0.00 H new ATOM 0 HD2 LYS P 19 13.238 14.215 14.798 1.00 0.00 H new ATOM 0 HD3 LYS P 19 11.734 14.749 15.521 1.00 0.00 H new ATOM 0 HE2 LYS P 19 13.345 13.854 17.701 1.00 0.00 H new ATOM 0 HE3 LYS P 19 14.425 14.770 16.669 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 13.285 16.214 18.243 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 12.819 16.600 16.657 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 11.772 15.713 17.657 1.00 0.00 H new ATOM 962 N ARG P 20 9.074 9.268 14.788 1.00 0.00 N ATOM 963 CA ARG P 20 7.719 8.940 14.435 1.00 0.00 C ATOM 964 C ARG P 20 7.087 7.908 15.370 1.00 0.00 C ATOM 965 O ARG P 20 7.735 6.968 15.828 1.00 0.00 O ATOM 966 CB ARG P 20 7.685 8.414 13.000 1.00 0.00 C ATOM 967 CG ARG P 20 6.360 8.789 12.342 1.00 0.00 C ATOM 968 CD ARG P 20 5.918 10.170 12.828 1.00 0.00 C ATOM 969 NE ARG P 20 4.800 10.632 12.037 1.00 0.00 N ATOM 970 CZ ARG P 20 3.632 9.994 12.055 1.00 0.00 C ATOM 971 NH1 ARG P 20 3.457 8.969 12.844 1.00 0.00 N ATOM 972 NH2 ARG P 20 2.646 10.416 11.316 1.00 0.00 N ATOM 0 H ARG P 20 9.618 8.511 15.203 1.00 0.00 H new ATOM 0 HA ARG P 20 7.133 9.854 14.530 1.00 0.00 H new ATOM 0 HB2 ARG P 20 8.515 8.832 12.430 1.00 0.00 H new ATOM 0 HB3 ARG P 20 7.809 7.331 12.997 1.00 0.00 H new ATOM 0 HG2 ARG P 20 6.469 8.792 11.257 1.00 0.00 H new ATOM 0 HG3 ARG P 20 5.599 8.047 12.584 1.00 0.00 H new ATOM 0 HD2 ARG P 20 5.636 10.123 13.880 1.00 0.00 H new ATOM 0 HD3 ARG P 20 6.746 10.875 12.751 1.00 0.00 H new ATOM 0 HE ARG P 20 4.908 11.462 11.454 1.00 0.00 H new ATOM 0 HH11 ARG P 20 4.216 8.655 13.449 1.00 0.00 H new ATOM 0 HH12 ARG P 20 2.561 8.482 12.856 1.00 0.00 H new ATOM 0 HH21 ARG P 20 2.768 11.236 10.722 1.00 0.00 H new ATOM 0 HH22 ARG P 20 1.752 9.926 11.331 1.00 0.00 H new ATOM 986 N ARG P 21 5.796 8.090 15.606 1.00 0.00 N ATOM 987 CA ARG P 21 5.026 7.181 16.437 1.00 0.00 C ATOM 988 C ARG P 21 4.372 6.145 15.541 1.00 0.00 C ATOM 989 O ARG P 21 4.316 6.333 14.328 1.00 0.00 O ATOM 990 CB ARG P 21 3.918 7.948 17.145 1.00 0.00 C ATOM 991 CG ARG P 21 3.254 7.037 18.175 1.00 0.00 C ATOM 992 CD ARG P 21 1.814 6.786 17.753 1.00 0.00 C ATOM 993 NE ARG P 21 1.091 8.037 17.817 1.00 0.00 N ATOM 994 CZ ARG P 21 -0.234 8.062 17.777 1.00 0.00 C ATOM 995 NH1 ARG P 21 -0.902 6.954 17.606 1.00 0.00 N ATOM 996 NH2 ARG P 21 -0.870 9.191 17.908 1.00 0.00 N ATOM 0 H ARG P 21 5.256 8.869 15.228 1.00 0.00 H new ATOM 0 HA ARG P 21 5.685 6.712 17.168 1.00 0.00 H new ATOM 0 HB2 ARG P 21 4.327 8.832 17.634 1.00 0.00 H new ATOM 0 HB3 ARG P 21 3.181 8.296 16.421 1.00 0.00 H new ATOM 0 HG2 ARG P 21 3.795 6.094 18.249 1.00 0.00 H new ATOM 0 HG3 ARG P 21 3.283 7.499 19.162 1.00 0.00 H new ATOM 0 HD2 ARG P 21 1.781 6.381 16.742 1.00 0.00 H new ATOM 0 HD3 ARG P 21 1.351 6.047 18.407 1.00 0.00 H new ATOM 0 HE ARG P 21 1.608 8.913 17.894 1.00 0.00 H new ATOM 0 HH11 ARG P 21 -0.405 6.069 17.503 1.00 0.00 H new ATOM 0 HH12 ARG P 21 -1.921 6.973 17.575 1.00 0.00 H new ATOM 0 HH21 ARG P 21 -0.349 10.057 18.042 1.00 0.00 H new ATOM 0 HH22 ARG P 21 -1.889 9.209 17.877 1.00 0.00 H new ATOM 1010 N CYS P 22 3.863 5.058 16.098 1.00 0.00 N ATOM 1011 CA CYS P 22 3.233 4.092 15.216 1.00 0.00 C ATOM 1012 C CYS P 22 2.547 2.929 15.931 1.00 0.00 C ATOM 1013 O CYS P 22 2.292 2.960 17.134 1.00 0.00 O ATOM 1014 CB CYS P 22 4.284 3.552 14.268 1.00 0.00 C ATOM 1015 SG CYS P 22 5.659 2.847 15.206 1.00 0.00 S ATOM 0 H CYS P 22 3.870 4.830 17.092 1.00 0.00 H new ATOM 0 HA CYS P 22 2.439 4.621 14.690 1.00 0.00 H new ATOM 0 HB2 CYS P 22 3.846 2.791 13.622 1.00 0.00 H new ATOM 0 HB3 CYS P 22 4.646 4.351 13.621 1.00 0.00 H new ATOM 0 HG CYS P 22 6.777 3.100 14.593 1.00 0.00 H new ATOM 1020 N ASP P 23 2.231 1.912 15.134 1.00 0.00 N ATOM 1021 CA ASP P 23 1.548 0.727 15.611 1.00 0.00 C ATOM 1022 C ASP P 23 2.525 -0.258 16.240 1.00 0.00 C ATOM 1023 O ASP P 23 2.392 -0.609 17.408 1.00 0.00 O ATOM 1024 CB ASP P 23 0.866 0.043 14.426 1.00 0.00 C ATOM 1025 CG ASP P 23 0.507 1.088 13.363 1.00 0.00 C ATOM 1026 OD1 ASP P 23 1.359 1.386 12.536 1.00 0.00 O ATOM 1027 OD2 ASP P 23 -0.613 1.572 13.393 1.00 0.00 O ATOM 0 H ASP P 23 2.445 1.893 14.137 1.00 0.00 H new ATOM 0 HA ASP P 23 0.821 1.028 16.365 1.00 0.00 H new ATOM 0 HB2 ASP P 23 1.527 -0.711 13.999 1.00 0.00 H new ATOM 0 HB3 ASP P 23 -0.034 -0.474 14.760 1.00 0.00 H new ATOM 1032 N ALA P 24 3.494 -0.701 15.447 1.00 0.00 N ATOM 1033 CA ALA P 24 4.484 -1.655 15.922 1.00 0.00 C ATOM 1034 C ALA P 24 4.778 -1.401 17.398 1.00 0.00 C ATOM 1035 O ALA P 24 5.644 -0.606 17.751 1.00 0.00 O ATOM 1036 CB ALA P 24 5.765 -1.511 15.101 1.00 0.00 C ATOM 0 H ALA P 24 3.613 -0.415 14.475 1.00 0.00 H new ATOM 0 HA ALA P 24 4.097 -2.668 15.808 1.00 0.00 H new ATOM 0 HB1 ALA P 24 6.507 -2.226 15.457 1.00 0.00 H new ATOM 0 HB2 ALA P 24 5.548 -1.706 14.051 1.00 0.00 H new ATOM 0 HB3 ALA P 24 6.155 -0.499 15.209 1.00 0.00 H new ATOM 1042 N PRO P 25 4.007 -2.055 18.275 1.00 0.00 N ATOM 1043 CA PRO P 25 4.098 -1.904 19.724 1.00 0.00 C ATOM 1044 C PRO P 25 4.926 -2.996 20.401 1.00 0.00 C ATOM 1045 O PRO P 25 5.781 -3.624 19.780 1.00 0.00 O ATOM 1046 CB PRO P 25 2.628 -2.014 20.130 1.00 0.00 C ATOM 1047 CG PRO P 25 2.001 -2.931 19.075 1.00 0.00 C ATOM 1048 CD PRO P 25 2.968 -3.008 17.890 1.00 0.00 C ATOM 0 HA PRO P 25 4.598 -0.981 20.019 1.00 0.00 H new ATOM 0 HB2 PRO P 25 2.524 -2.433 21.131 1.00 0.00 H new ATOM 0 HB3 PRO P 25 2.146 -1.036 20.142 1.00 0.00 H new ATOM 0 HG2 PRO P 25 1.823 -3.924 19.488 1.00 0.00 H new ATOM 0 HG3 PRO P 25 1.035 -2.541 18.755 1.00 0.00 H new ATOM 0 HD2 PRO P 25 3.368 -4.013 17.756 1.00 0.00 H new ATOM 0 HD3 PRO P 25 2.486 -2.728 16.953 1.00 0.00 H new ATOM 1056 N GLU P 26 4.657 -3.214 21.682 1.00 0.00 N ATOM 1057 CA GLU P 26 5.367 -4.231 22.434 1.00 0.00 C ATOM 1058 C GLU P 26 4.980 -5.622 21.932 1.00 0.00 C ATOM 1059 O GLU P 26 5.543 -6.628 22.359 1.00 0.00 O ATOM 1060 CB GLU P 26 5.017 -4.113 23.919 1.00 0.00 C ATOM 1061 CG GLU P 26 5.943 -5.016 24.736 1.00 0.00 C ATOM 1062 CD GLU P 26 6.299 -4.322 26.053 1.00 0.00 C ATOM 1063 OE1 GLU P 26 5.395 -3.817 26.697 1.00 0.00 O ATOM 1064 OE2 GLU P 26 7.471 -4.309 26.394 1.00 0.00 O ATOM 0 H GLU P 26 3.956 -2.701 22.216 1.00 0.00 H new ATOM 0 HA GLU P 26 6.439 -4.086 22.298 1.00 0.00 H new ATOM 0 HB2 GLU P 26 5.119 -3.078 24.246 1.00 0.00 H new ATOM 0 HB3 GLU P 26 3.978 -4.398 24.082 1.00 0.00 H new ATOM 0 HG2 GLU P 26 5.455 -5.970 24.935 1.00 0.00 H new ATOM 0 HG3 GLU P 26 6.849 -5.233 24.170 1.00 0.00 H new ATOM 1071 N ASN P 27 4.024 -5.671 21.011 1.00 0.00 N ATOM 1072 CA ASN P 27 3.594 -6.941 20.458 1.00 0.00 C ATOM 1073 C ASN P 27 3.833 -6.951 18.955 1.00 0.00 C ATOM 1074 O ASN P 27 3.279 -7.766 18.223 1.00 0.00 O ATOM 1075 CB ASN P 27 2.110 -7.181 20.749 1.00 0.00 C ATOM 1076 CG ASN P 27 1.308 -5.930 20.401 1.00 0.00 C ATOM 1077 OD1 ASN P 27 1.218 -5.000 21.200 1.00 0.00 O ATOM 1078 ND2 ASN P 27 0.714 -5.855 19.244 1.00 0.00 N ATOM 0 H ASN P 27 3.540 -4.855 20.638 1.00 0.00 H new ATOM 0 HA ASN P 27 4.172 -7.739 20.924 1.00 0.00 H new ATOM 0 HB2 ASN P 27 1.748 -8.030 20.168 1.00 0.00 H new ATOM 0 HB3 ASN P 27 1.972 -7.432 21.801 1.00 0.00 H new ATOM 0 HD21 ASN P 27 0.174 -5.024 19.001 1.00 0.00 H new ATOM 0 HD22 ASN P 27 0.789 -6.627 18.581 1.00 0.00 H new ATOM 1085 N ARG P 28 4.688 -6.046 18.515 1.00 0.00 N ATOM 1086 CA ARG P 28 5.032 -5.958 17.107 1.00 0.00 C ATOM 1087 C ARG P 28 5.648 -7.282 16.681 1.00 0.00 C ATOM 1088 O ARG P 28 5.198 -7.926 15.739 1.00 0.00 O ATOM 1089 CB ARG P 28 6.037 -4.826 16.891 1.00 0.00 C ATOM 1090 CG ARG P 28 6.633 -4.916 15.484 1.00 0.00 C ATOM 1091 CD ARG P 28 8.078 -4.421 15.518 1.00 0.00 C ATOM 1092 NE ARG P 28 8.845 -5.060 14.464 1.00 0.00 N ATOM 1093 CZ ARG P 28 9.155 -6.347 14.533 1.00 0.00 C ATOM 1094 NH1 ARG P 28 8.892 -7.021 15.614 1.00 0.00 N ATOM 1095 NH2 ARG P 28 9.764 -6.934 13.538 1.00 0.00 N ATOM 0 H ARG P 28 5.156 -5.363 19.110 1.00 0.00 H new ATOM 0 HA ARG P 28 4.140 -5.752 16.515 1.00 0.00 H new ATOM 0 HB2 ARG P 28 5.546 -3.862 17.026 1.00 0.00 H new ATOM 0 HB3 ARG P 28 6.831 -4.886 17.636 1.00 0.00 H new ATOM 0 HG2 ARG P 28 6.597 -5.945 15.126 1.00 0.00 H new ATOM 0 HG3 ARG P 28 6.047 -4.316 14.789 1.00 0.00 H new ATOM 0 HD2 ARG P 28 8.104 -3.338 15.393 1.00 0.00 H new ATOM 0 HD3 ARG P 28 8.524 -4.640 16.488 1.00 0.00 H new ATOM 0 HE ARG P 28 9.149 -4.511 13.660 1.00 0.00 H new ATOM 0 HH11 ARG P 28 8.448 -6.559 16.408 1.00 0.00 H new ATOM 0 HH12 ARG P 28 9.130 -8.011 15.668 1.00 0.00 H new ATOM 0 HH21 ARG P 28 10.004 -6.402 12.702 1.00 0.00 H new ATOM 0 HH22 ARG P 28 10.000 -7.925 13.597 1.00 0.00 H new ATOM 1109 N ASN P 29 6.668 -7.690 17.406 1.00 0.00 N ATOM 1110 CA ASN P 29 7.321 -8.956 17.120 1.00 0.00 C ATOM 1111 C ASN P 29 6.282 -10.077 17.146 1.00 0.00 C ATOM 1112 O ASN P 29 6.082 -10.789 16.161 1.00 0.00 O ATOM 1113 CB ASN P 29 8.402 -9.237 18.165 1.00 0.00 C ATOM 1114 CG ASN P 29 9.147 -7.941 18.491 1.00 0.00 C ATOM 1115 OD1 ASN P 29 10.117 -7.590 17.822 1.00 0.00 O ATOM 1116 ND2 ASN P 29 8.742 -7.204 19.489 1.00 0.00 N ATOM 0 H ASN P 29 7.062 -7.172 18.191 1.00 0.00 H new ATOM 0 HA ASN P 29 7.785 -8.906 16.135 1.00 0.00 H new ATOM 0 HB2 ASN P 29 7.951 -9.647 19.069 1.00 0.00 H new ATOM 0 HB3 ASN P 29 9.100 -9.985 17.789 1.00 0.00 H new ATOM 0 HD21 ASN P 29 9.230 -6.337 19.714 1.00 0.00 H new ATOM 0 HD22 ASN P 29 7.937 -7.495 20.044 1.00 0.00 H new ATOM 1123 N GLU P 30 5.605 -10.211 18.272 1.00 0.00 N ATOM 1124 CA GLU P 30 4.575 -11.226 18.401 1.00 0.00 C ATOM 1125 C GLU P 30 3.516 -11.017 17.319 1.00 0.00 C ATOM 1126 O GLU P 30 2.746 -11.922 16.991 1.00 0.00 O ATOM 1127 CB GLU P 30 3.919 -11.132 19.780 1.00 0.00 C ATOM 1128 CG GLU P 30 2.699 -12.054 19.827 1.00 0.00 C ATOM 1129 CD GLU P 30 2.357 -12.375 21.283 1.00 0.00 C ATOM 1130 OE1 GLU P 30 3.259 -12.344 22.104 1.00 0.00 O ATOM 1131 OE2 GLU P 30 1.198 -12.646 21.553 1.00 0.00 O ATOM 0 H GLU P 30 5.747 -9.636 19.103 1.00 0.00 H new ATOM 0 HA GLU P 30 5.027 -12.211 18.286 1.00 0.00 H new ATOM 0 HB2 GLU P 30 4.632 -11.415 20.554 1.00 0.00 H new ATOM 0 HB3 GLU P 30 3.619 -10.104 19.983 1.00 0.00 H new ATOM 0 HG2 GLU P 30 1.849 -11.575 19.340 1.00 0.00 H new ATOM 0 HG3 GLU P 30 2.904 -12.974 19.279 1.00 0.00 H new ATOM 1138 N ALA P 31 3.501 -9.821 16.745 1.00 0.00 N ATOM 1139 CA ALA P 31 2.555 -9.523 15.694 1.00 0.00 C ATOM 1140 C ALA P 31 3.005 -10.246 14.439 1.00 0.00 C ATOM 1141 O ALA P 31 2.223 -10.908 13.764 1.00 0.00 O ATOM 1142 CB ALA P 31 2.495 -8.021 15.436 1.00 0.00 C ATOM 0 H ALA P 31 4.127 -9.054 16.990 1.00 0.00 H new ATOM 0 HA ALA P 31 1.559 -9.853 15.988 1.00 0.00 H new ATOM 0 HB1 ALA P 31 1.777 -7.817 14.641 1.00 0.00 H new ATOM 0 HB2 ALA P 31 2.185 -7.508 16.346 1.00 0.00 H new ATOM 0 HB3 ALA P 31 3.480 -7.664 15.136 1.00 0.00 H new ATOM 1148 N ASN P 32 4.290 -10.149 14.160 1.00 0.00 N ATOM 1149 CA ASN P 32 4.845 -10.837 13.022 1.00 0.00 C ATOM 1150 C ASN P 32 4.682 -12.333 13.247 1.00 0.00 C ATOM 1151 O ASN P 32 4.543 -13.110 12.304 1.00 0.00 O ATOM 1152 CB ASN P 32 6.314 -10.472 12.851 1.00 0.00 C ATOM 1153 CG ASN P 32 7.155 -11.165 13.915 1.00 0.00 C ATOM 1154 OD1 ASN P 32 7.069 -12.377 14.105 1.00 0.00 O ATOM 1155 ND2 ASN P 32 7.972 -10.443 14.620 1.00 0.00 N ATOM 0 H ASN P 32 4.960 -9.605 14.703 1.00 0.00 H new ATOM 0 HA ASN P 32 4.324 -10.543 12.111 1.00 0.00 H new ATOM 0 HB2 ASN P 32 6.656 -10.765 11.859 1.00 0.00 H new ATOM 0 HB3 ASN P 32 6.439 -9.392 12.925 1.00 0.00 H new ATOM 0 HD21 ASN P 32 8.549 -10.880 15.338 1.00 0.00 H new ATOM 0 HD22 ASN P 32 8.037 -9.438 14.455 1.00 0.00 H new ATOM 1162 N GLU P 33 4.643 -12.721 14.519 1.00 0.00 N ATOM 1163 CA GLU P 33 4.428 -14.114 14.858 1.00 0.00 C ATOM 1164 C GLU P 33 3.021 -14.484 14.396 1.00 0.00 C ATOM 1165 O GLU P 33 2.790 -15.551 13.829 1.00 0.00 O ATOM 1166 CB GLU P 33 4.550 -14.323 16.369 1.00 0.00 C ATOM 1167 CG GLU P 33 6.023 -14.246 16.776 1.00 0.00 C ATOM 1168 CD GLU P 33 6.485 -15.614 17.282 1.00 0.00 C ATOM 1169 OE1 GLU P 33 6.734 -16.476 16.455 1.00 0.00 O ATOM 1170 OE2 GLU P 33 6.582 -15.777 18.487 1.00 0.00 O ATOM 0 H GLU P 33 4.756 -12.097 15.318 1.00 0.00 H new ATOM 0 HA GLU P 33 5.176 -14.741 14.372 1.00 0.00 H new ATOM 0 HB2 GLU P 33 3.975 -13.564 16.900 1.00 0.00 H new ATOM 0 HB3 GLU P 33 4.134 -15.291 16.648 1.00 0.00 H new ATOM 0 HG2 GLU P 33 6.631 -13.937 15.925 1.00 0.00 H new ATOM 0 HG3 GLU P 33 6.158 -13.494 17.554 1.00 0.00 H new ATOM 1177 N ASN P 34 2.093 -13.551 14.597 1.00 0.00 N ATOM 1178 CA ASN P 34 0.729 -13.732 14.157 1.00 0.00 C ATOM 1179 C ASN P 34 0.552 -12.937 12.859 1.00 0.00 C ATOM 1180 O ASN P 34 -0.555 -12.624 12.421 1.00 0.00 O ATOM 1181 CB ASN P 34 -0.227 -13.238 15.239 1.00 0.00 C ATOM 1182 CG ASN P 34 -0.966 -11.998 14.762 1.00 0.00 C ATOM 1183 OD1 ASN P 34 -2.152 -12.051 14.442 1.00 0.00 O ATOM 1184 ND2 ASN P 34 -0.321 -10.880 14.699 1.00 0.00 N ATOM 0 H ASN P 34 2.271 -12.662 15.064 1.00 0.00 H new ATOM 0 HA ASN P 34 0.509 -14.784 13.976 1.00 0.00 H new ATOM 0 HB2 ASN P 34 -0.942 -14.022 15.489 1.00 0.00 H new ATOM 0 HB3 ASN P 34 0.328 -13.011 16.149 1.00 0.00 H new ATOM 0 HD21 ASN P 34 -0.796 -10.035 14.382 1.00 0.00 H new ATOM 0 HD22 ASN P 34 0.663 -10.843 14.966 1.00 0.00 H new ATOM 1191 N GLY P 35 1.693 -12.632 12.260 1.00 0.00 N ATOM 1192 CA GLY P 35 1.761 -11.881 11.019 1.00 0.00 C ATOM 1193 C GLY P 35 1.451 -10.395 11.198 1.00 0.00 C ATOM 1194 O GLY P 35 0.306 -9.991 11.395 1.00 0.00 O ATOM 0 H GLY P 35 2.606 -12.902 12.626 1.00 0.00 H new ATOM 0 HA2 GLY P 35 2.757 -11.989 10.591 1.00 0.00 H new ATOM 0 HA3 GLY P 35 1.058 -12.309 10.304 1.00 0.00 H new ATOM 1198 N TRP P 36 2.508 -9.593 11.101 1.00 0.00 N ATOM 1199 CA TRP P 36 2.405 -8.149 11.222 1.00 0.00 C ATOM 1200 C TRP P 36 2.597 -7.530 9.826 1.00 0.00 C ATOM 1201 O TRP P 36 1.765 -7.737 8.944 1.00 0.00 O ATOM 1202 CB TRP P 36 3.484 -7.661 12.204 1.00 0.00 C ATOM 1203 CG TRP P 36 3.583 -6.165 12.204 1.00 0.00 C ATOM 1204 CD1 TRP P 36 4.663 -5.462 12.619 1.00 0.00 C ATOM 1205 CD2 TRP P 36 2.607 -5.183 11.763 1.00 0.00 C ATOM 1206 NE1 TRP P 36 4.409 -4.117 12.457 1.00 0.00 N ATOM 1207 CE2 TRP P 36 3.158 -3.893 11.939 1.00 0.00 C ATOM 1208 CE3 TRP P 36 1.315 -5.279 11.236 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 2.457 -2.742 11.604 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 0.601 -4.115 10.894 1.00 0.00 C ATOM 1211 CH2 TRP P 36 1.173 -2.850 11.079 1.00 0.00 C ATOM 0 H TRP P 36 3.457 -9.929 10.937 1.00 0.00 H new ATOM 0 HA TRP P 36 1.429 -7.850 11.605 1.00 0.00 H new ATOM 0 HB2 TRP P 36 3.250 -8.012 13.209 1.00 0.00 H new ATOM 0 HB3 TRP P 36 4.448 -8.092 11.932 1.00 0.00 H new ATOM 0 HD1 TRP P 36 5.575 -5.886 13.013 1.00 0.00 H new ATOM 0 HE1 TRP P 36 5.071 -3.378 12.693 1.00 0.00 H new ATOM 0 HE3 TRP P 36 0.864 -6.249 11.091 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 2.905 -1.770 11.750 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 -0.395 -4.198 10.486 1.00 0.00 H new ATOM 0 HH2 TRP P 36 0.619 -1.961 10.815 1.00 0.00 H new ATOM 1222 N VAL P 37 3.700 -6.814 9.615 1.00 0.00 N ATOM 1223 CA VAL P 37 3.988 -6.216 8.312 1.00 0.00 C ATOM 1224 C VAL P 37 4.863 -4.966 8.487 1.00 0.00 C ATOM 1225 O VAL P 37 6.065 -5.076 8.725 1.00 0.00 O ATOM 1226 CB VAL P 37 2.688 -5.869 7.566 1.00 0.00 C ATOM 1227 CG1 VAL P 37 1.711 -5.147 8.500 1.00 0.00 C ATOM 1228 CG2 VAL P 37 3.010 -4.973 6.366 1.00 0.00 C ATOM 0 H VAL P 37 4.407 -6.634 10.327 1.00 0.00 H new ATOM 0 HA VAL P 37 4.533 -6.944 7.711 1.00 0.00 H new ATOM 0 HB VAL P 37 2.224 -6.793 7.220 1.00 0.00 H new ATOM 0 HG11 VAL P 37 0.797 -4.909 7.956 1.00 0.00 H new ATOM 0 HG12 VAL P 37 1.473 -5.792 9.346 1.00 0.00 H new ATOM 0 HG13 VAL P 37 2.168 -4.226 8.863 1.00 0.00 H new ATOM 0 HG21 VAL P 37 2.089 -4.727 5.838 1.00 0.00 H new ATOM 0 HG22 VAL P 37 3.484 -4.055 6.714 1.00 0.00 H new ATOM 0 HG23 VAL P 37 3.686 -5.498 5.691 1.00 0.00 H new ATOM 1238 N SER P 38 4.271 -3.784 8.381 1.00 0.00 N ATOM 1239 CA SER P 38 5.027 -2.558 8.542 1.00 0.00 C ATOM 1240 C SER P 38 4.111 -1.429 9.011 1.00 0.00 C ATOM 1241 O SER P 38 3.149 -1.067 8.337 1.00 0.00 O ATOM 1242 CB SER P 38 5.672 -2.166 7.217 1.00 0.00 C ATOM 1243 OG SER P 38 6.749 -3.052 6.937 1.00 0.00 O ATOM 0 H SER P 38 3.279 -3.652 8.186 1.00 0.00 H new ATOM 0 HA SER P 38 5.803 -2.725 9.289 1.00 0.00 H new ATOM 0 HB2 SER P 38 4.935 -2.206 6.415 1.00 0.00 H new ATOM 0 HB3 SER P 38 6.034 -1.139 7.266 1.00 0.00 H new ATOM 0 HG SER P 38 6.743 -3.789 7.583 1.00 0.00 H new ATOM 1249 N CYS P 39 4.426 -0.881 10.169 1.00 0.00 N ATOM 1250 CA CYS P 39 3.649 0.202 10.730 1.00 0.00 C ATOM 1251 C CYS P 39 3.473 1.289 9.682 1.00 0.00 C ATOM 1252 O CYS P 39 3.838 1.110 8.529 1.00 0.00 O ATOM 1253 CB CYS P 39 4.354 0.772 11.966 1.00 0.00 C ATOM 1254 SG CYS P 39 5.964 1.458 11.499 1.00 0.00 S ATOM 0 H CYS P 39 5.219 -1.172 10.740 1.00 0.00 H new ATOM 0 HA CYS P 39 2.671 -0.173 11.031 1.00 0.00 H new ATOM 0 HB2 CYS P 39 3.738 1.547 12.422 1.00 0.00 H new ATOM 0 HB3 CYS P 39 4.486 -0.011 12.713 1.00 0.00 H new ATOM 0 HG CYS P 39 6.869 1.052 12.339 1.00 0.00 H new ATOM 1259 N SER P 40 2.913 2.408 10.073 1.00 0.00 N ATOM 1260 CA SER P 40 2.702 3.486 9.118 1.00 0.00 C ATOM 1261 C SER P 40 4.044 4.051 8.640 1.00 0.00 C ATOM 1262 O SER P 40 4.162 4.607 7.546 1.00 0.00 O ATOM 1263 CB SER P 40 1.878 4.595 9.770 1.00 0.00 C ATOM 1264 OG SER P 40 1.177 5.312 8.762 1.00 0.00 O ATOM 0 H SER P 40 2.598 2.601 11.024 1.00 0.00 H new ATOM 0 HA SER P 40 2.164 3.090 8.256 1.00 0.00 H new ATOM 0 HB2 SER P 40 1.175 4.169 10.486 1.00 0.00 H new ATOM 0 HB3 SER P 40 2.529 5.269 10.326 1.00 0.00 H new ATOM 0 HG SER P 40 0.646 6.024 9.176 1.00 0.00 H new ATOM 1270 N ASN P 41 5.051 3.899 9.467 1.00 0.00 N ATOM 1271 CA ASN P 41 6.375 4.390 9.139 1.00 0.00 C ATOM 1272 C ASN P 41 7.078 3.461 8.154 1.00 0.00 C ATOM 1273 O ASN P 41 7.124 3.729 6.958 1.00 0.00 O ATOM 1274 CB ASN P 41 7.193 4.484 10.411 1.00 0.00 C ATOM 1275 CG ASN P 41 6.693 5.656 11.252 1.00 0.00 C ATOM 1276 OD1 ASN P 41 6.741 6.805 10.820 1.00 0.00 O ATOM 1277 ND2 ASN P 41 6.211 5.422 12.440 1.00 0.00 N ATOM 0 H ASN P 41 4.982 3.439 10.375 1.00 0.00 H new ATOM 0 HA ASN P 41 6.278 5.371 8.674 1.00 0.00 H new ATOM 0 HB2 ASN P 41 7.113 3.556 10.977 1.00 0.00 H new ATOM 0 HB3 ASN P 41 8.247 4.620 10.169 1.00 0.00 H new ATOM 0 HD21 ASN P 41 5.872 6.194 13.014 1.00 0.00 H new ATOM 0 HD22 ASN P 41 6.173 4.467 12.796 1.00 0.00 H new ATOM 1284 N CYS P 42 7.629 2.367 8.665 1.00 0.00 N ATOM 1285 CA CYS P 42 8.322 1.422 7.805 1.00 0.00 C ATOM 1286 C CYS P 42 7.533 1.219 6.514 1.00 0.00 C ATOM 1287 O CYS P 42 8.091 0.860 5.480 1.00 0.00 O ATOM 1288 CB CYS P 42 8.481 0.073 8.507 1.00 0.00 C ATOM 1289 SG CYS P 42 9.291 0.304 10.109 1.00 0.00 S ATOM 0 H CYS P 42 7.610 2.116 9.654 1.00 0.00 H new ATOM 0 HA CYS P 42 9.308 1.827 7.578 1.00 0.00 H new ATOM 0 HB2 CYS P 42 7.505 -0.391 8.647 1.00 0.00 H new ATOM 0 HB3 CYS P 42 9.069 -0.603 7.886 1.00 0.00 H new ATOM 0 HG CYS P 42 8.424 0.740 10.975 1.00 0.00 H new ATOM 1294 N LYS P 43 6.229 1.441 6.577 1.00 0.00 N ATOM 1295 CA LYS P 43 5.406 1.267 5.403 1.00 0.00 C ATOM 1296 C LYS P 43 5.546 2.457 4.449 1.00 0.00 C ATOM 1297 O LYS P 43 5.735 2.256 3.261 1.00 0.00 O ATOM 1298 CB LYS P 43 3.944 1.047 5.802 1.00 0.00 C ATOM 1299 CG LYS P 43 3.221 2.379 5.959 1.00 0.00 C ATOM 1300 CD LYS P 43 2.777 2.888 4.586 1.00 0.00 C ATOM 1301 CE LYS P 43 1.338 3.402 4.674 1.00 0.00 C ATOM 1302 NZ LYS P 43 0.469 2.347 5.266 1.00 0.00 N ATOM 0 H LYS P 43 5.730 1.737 7.416 1.00 0.00 H new ATOM 0 HA LYS P 43 5.751 0.380 4.873 1.00 0.00 H new ATOM 0 HB2 LYS P 43 3.443 0.443 5.046 1.00 0.00 H new ATOM 0 HB3 LYS P 43 3.897 0.490 6.738 1.00 0.00 H new ATOM 0 HG2 LYS P 43 2.356 2.260 6.611 1.00 0.00 H new ATOM 0 HG3 LYS P 43 3.879 3.108 6.433 1.00 0.00 H new ATOM 0 HD2 LYS P 43 3.440 3.686 4.250 1.00 0.00 H new ATOM 0 HD3 LYS P 43 2.844 2.087 3.850 1.00 0.00 H new ATOM 0 HE2 LYS P 43 1.300 4.304 5.284 1.00 0.00 H new ATOM 0 HE3 LYS P 43 0.976 3.672 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 -0.462 2.363 4.802 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 0.909 1.415 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 0.352 2.525 6.284 1.00 0.00 H new ATOM 1316 N ARG P 44 5.488 3.690 4.955 1.00 0.00 N ATOM 1317 CA ARG P 44 5.639 4.847 4.077 1.00 0.00 C ATOM 1318 C ARG P 44 7.038 4.843 3.446 1.00 0.00 C ATOM 1319 O ARG P 44 7.234 5.286 2.319 1.00 0.00 O ATOM 1320 CB ARG P 44 5.445 6.136 4.882 1.00 0.00 C ATOM 1321 CG ARG P 44 3.952 6.354 5.138 1.00 0.00 C ATOM 1322 CD ARG P 44 3.681 7.826 5.478 1.00 0.00 C ATOM 1323 NE ARG P 44 4.397 8.219 6.690 1.00 0.00 N ATOM 1324 CZ ARG P 44 4.157 7.629 7.853 1.00 0.00 C ATOM 1325 NH1 ARG P 44 3.198 6.754 7.959 1.00 0.00 N ATOM 1326 NH2 ARG P 44 4.851 7.960 8.908 1.00 0.00 N ATOM 0 H ARG P 44 5.342 3.909 5.940 1.00 0.00 H new ATOM 0 HA ARG P 44 4.888 4.796 3.289 1.00 0.00 H new ATOM 0 HB2 ARG P 44 5.982 6.071 5.828 1.00 0.00 H new ATOM 0 HB3 ARG P 44 5.860 6.984 4.337 1.00 0.00 H new ATOM 0 HG2 ARG P 44 3.379 6.065 4.257 1.00 0.00 H new ATOM 0 HG3 ARG P 44 3.619 5.717 5.957 1.00 0.00 H new ATOM 0 HD2 ARG P 44 3.990 8.459 4.646 1.00 0.00 H new ATOM 0 HD3 ARG P 44 2.611 7.981 5.616 1.00 0.00 H new ATOM 0 HE ARG P 44 5.095 8.961 6.640 1.00 0.00 H new ATOM 0 HH11 ARG P 44 2.629 6.520 7.146 1.00 0.00 H new ATOM 0 HH12 ARG P 44 3.017 6.302 8.855 1.00 0.00 H new ATOM 0 HH21 ARG P 44 5.578 8.672 8.838 1.00 0.00 H new ATOM 0 HH22 ARG P 44 4.667 7.506 9.803 1.00 0.00 H new ATOM 1340 N TRP P 45 7.994 4.346 4.210 1.00 0.00 N ATOM 1341 CA TRP P 45 9.394 4.267 3.776 1.00 0.00 C ATOM 1342 C TRP P 45 9.853 2.833 3.574 1.00 0.00 C ATOM 1343 O TRP P 45 11.052 2.558 3.565 1.00 0.00 O ATOM 1344 CB TRP P 45 10.268 4.925 4.836 1.00 0.00 C ATOM 1345 CG TRP P 45 9.777 6.302 4.924 1.00 0.00 C ATOM 1346 CD1 TRP P 45 9.362 6.970 3.854 1.00 0.00 C ATOM 1347 CD2 TRP P 45 9.599 7.175 6.070 1.00 0.00 C ATOM 1348 NE1 TRP P 45 8.914 8.192 4.233 1.00 0.00 N ATOM 1349 CE2 TRP P 45 9.046 8.391 5.599 1.00 0.00 C ATOM 1350 CE3 TRP P 45 9.852 7.049 7.449 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 8.755 9.439 6.471 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 9.559 8.108 8.323 1.00 0.00 C ATOM 1353 CH2 TRP P 45 9.011 9.299 7.831 1.00 0.00 C ATOM 0 H TRP P 45 7.831 3.984 5.149 1.00 0.00 H new ATOM 0 HA TRP P 45 9.481 4.779 2.817 1.00 0.00 H new ATOM 0 HB2 TRP P 45 10.182 4.412 5.794 1.00 0.00 H new ATOM 0 HB3 TRP P 45 11.320 4.898 4.554 1.00 0.00 H new ATOM 0 HD1 TRP P 45 9.379 6.598 2.840 1.00 0.00 H new ATOM 0 HE1 TRP P 45 8.526 8.883 3.590 1.00 0.00 H new ATOM 0 HE3 TRP P 45 10.274 6.133 7.837 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 8.332 10.357 6.092 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 9.757 8.004 9.380 1.00 0.00 H new ATOM 0 HH2 TRP P 45 8.787 10.110 8.508 1.00 0.00 H new ATOM 1364 N ASN P 46 8.901 1.934 3.406 1.00 0.00 N ATOM 1365 CA ASN P 46 9.228 0.525 3.202 1.00 0.00 C ATOM 1366 C ASN P 46 10.563 0.206 3.879 1.00 0.00 C ATOM 1367 O ASN P 46 11.424 -0.464 3.311 1.00 0.00 O ATOM 1368 CB ASN P 46 9.331 0.225 1.705 1.00 0.00 C ATOM 1369 CG ASN P 46 8.786 -1.177 1.427 1.00 0.00 C ATOM 1370 OD1 ASN P 46 9.542 -2.091 1.104 1.00 0.00 O ATOM 1371 ND2 ASN P 46 7.504 -1.399 1.537 1.00 0.00 N ATOM 0 H ASN P 46 7.903 2.146 3.406 1.00 0.00 H new ATOM 0 HA ASN P 46 8.441 -0.091 3.638 1.00 0.00 H new ATOM 0 HB2 ASN P 46 8.769 0.965 1.135 1.00 0.00 H new ATOM 0 HB3 ASN P 46 10.369 0.294 1.380 1.00 0.00 H new ATOM 0 HD21 ASN P 46 7.130 -2.330 1.355 1.00 0.00 H new ATOM 0 HD22 ASN P 46 6.876 -0.641 1.805 1.00 0.00 H new ATOM 1378 N LYS P 47 10.735 0.736 5.081 1.00 0.00 N ATOM 1379 CA LYS P 47 11.973 0.557 5.824 1.00 0.00 C ATOM 1380 C LYS P 47 12.124 -0.874 6.356 1.00 0.00 C ATOM 1381 O LYS P 47 12.222 -1.821 5.577 1.00 0.00 O ATOM 1382 CB LYS P 47 12.007 1.556 6.979 1.00 0.00 C ATOM 1383 CG LYS P 47 12.340 2.948 6.440 1.00 0.00 C ATOM 1384 CD LYS P 47 13.692 3.402 6.995 1.00 0.00 C ATOM 1385 CE LYS P 47 14.800 2.505 6.441 1.00 0.00 C ATOM 1386 NZ LYS P 47 15.317 3.084 5.168 1.00 0.00 N ATOM 0 H LYS P 47 10.031 1.295 5.563 1.00 0.00 H new ATOM 0 HA LYS P 47 12.808 0.735 5.147 1.00 0.00 H new ATOM 0 HB2 LYS P 47 11.043 1.572 7.488 1.00 0.00 H new ATOM 0 HB3 LYS P 47 12.751 1.252 7.715 1.00 0.00 H new ATOM 0 HG2 LYS P 47 12.370 2.930 5.351 1.00 0.00 H new ATOM 0 HG3 LYS P 47 11.562 3.656 6.726 1.00 0.00 H new ATOM 0 HD2 LYS P 47 13.879 4.440 6.721 1.00 0.00 H new ATOM 0 HD3 LYS P 47 13.684 3.357 8.084 1.00 0.00 H new ATOM 0 HE2 LYS P 47 15.608 2.416 7.167 1.00 0.00 H new ATOM 0 HE3 LYS P 47 14.416 1.500 6.267 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 16.071 2.475 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 14.543 3.147 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 15.698 4.035 5.349 1.00 0.00 H new ATOM 1400 N ASP P 48 12.177 -1.034 7.673 1.00 0.00 N ATOM 1401 CA ASP P 48 12.357 -2.364 8.239 1.00 0.00 C ATOM 1402 C ASP P 48 11.666 -2.523 9.598 1.00 0.00 C ATOM 1403 O ASP P 48 12.321 -2.699 10.624 1.00 0.00 O ATOM 1404 CB ASP P 48 13.850 -2.645 8.409 1.00 0.00 C ATOM 1405 CG ASP P 48 14.081 -4.156 8.481 1.00 0.00 C ATOM 1406 OD1 ASP P 48 13.375 -4.807 9.233 1.00 0.00 O ATOM 1407 OD2 ASP P 48 14.959 -4.635 7.783 1.00 0.00 O ATOM 0 H ASP P 48 12.100 -0.279 8.355 1.00 0.00 H new ATOM 0 HA ASP P 48 11.901 -3.073 7.548 1.00 0.00 H new ATOM 0 HB2 ASP P 48 14.408 -2.221 7.574 1.00 0.00 H new ATOM 0 HB3 ASP P 48 14.220 -2.166 9.316 1.00 0.00 H new ATOM 1412 N CYS P 49 10.345 -2.501 9.589 1.00 0.00 N ATOM 1413 CA CYS P 49 9.575 -2.685 10.805 1.00 0.00 C ATOM 1414 C CYS P 49 10.238 -3.735 11.685 1.00 0.00 C ATOM 1415 O CYS P 49 10.081 -4.926 11.435 1.00 0.00 O ATOM 1416 CB CYS P 49 8.188 -3.204 10.420 1.00 0.00 C ATOM 1417 SG CYS P 49 6.942 -2.477 11.496 1.00 0.00 S ATOM 0 H CYS P 49 9.782 -2.357 8.750 1.00 0.00 H new ATOM 0 HA CYS P 49 9.512 -1.738 11.342 1.00 0.00 H new ATOM 0 HB2 CYS P 49 7.973 -2.956 9.381 1.00 0.00 H new ATOM 0 HB3 CYS P 49 8.161 -4.291 10.501 1.00 0.00 H new ATOM 0 HG CYS P 49 7.063 -2.968 12.694 1.00 0.00 H new ATOM 1422 N THR P 50 10.982 -3.320 12.705 1.00 0.00 N ATOM 1423 CA THR P 50 11.621 -4.326 13.546 1.00 0.00 C ATOM 1424 C THR P 50 11.937 -3.850 14.972 1.00 0.00 C ATOM 1425 O THR P 50 12.346 -2.707 15.210 1.00 0.00 O ATOM 1426 CB THR P 50 12.900 -4.824 12.873 1.00 0.00 C ATOM 1427 OG1 THR P 50 13.581 -3.734 12.276 1.00 0.00 O ATOM 1428 CG2 THR P 50 12.538 -5.841 11.797 1.00 0.00 C ATOM 0 H THR P 50 11.152 -2.348 12.961 1.00 0.00 H new ATOM 0 HA THR P 50 10.897 -5.134 13.652 1.00 0.00 H new ATOM 0 HB THR P 50 13.545 -5.288 13.619 1.00 0.00 H new ATOM 0 HG1 THR P 50 13.278 -3.626 11.350 1.00 0.00 H new ATOM 0 HG21 THR P 50 13.447 -6.199 11.314 1.00 0.00 H new ATOM 0 HG22 THR P 50 12.014 -6.681 12.252 1.00 0.00 H new ATOM 0 HG23 THR P 50 11.894 -5.371 11.054 1.00 0.00 H new ATOM 1436 N PHE P 51 11.738 -4.789 15.906 1.00 0.00 N ATOM 1437 CA PHE P 51 11.989 -4.592 17.337 1.00 0.00 C ATOM 1438 C PHE P 51 12.856 -5.759 17.832 1.00 0.00 C ATOM 1439 O PHE P 51 12.907 -6.057 19.024 1.00 0.00 O ATOM 1440 CB PHE P 51 10.676 -4.680 18.133 1.00 0.00 C ATOM 1441 CG PHE P 51 9.864 -3.412 18.056 1.00 0.00 C ATOM 1442 CD1 PHE P 51 9.723 -2.726 16.851 1.00 0.00 C ATOM 1443 CD2 PHE P 51 9.216 -2.947 19.203 1.00 0.00 C ATOM 1444 CE1 PHE P 51 8.937 -1.577 16.788 1.00 0.00 C ATOM 1445 CE2 PHE P 51 8.433 -1.793 19.145 1.00 0.00 C ATOM 1446 CZ PHE P 51 8.290 -1.106 17.935 1.00 0.00 C ATOM 0 H PHE P 51 11.392 -5.722 15.683 1.00 0.00 H new ATOM 0 HA PHE P 51 12.460 -3.619 17.476 1.00 0.00 H new ATOM 0 HB2 PHE P 51 10.081 -5.511 17.754 1.00 0.00 H new ATOM 0 HB3 PHE P 51 10.902 -4.899 19.176 1.00 0.00 H new ATOM 0 HD1 PHE P 51 10.224 -3.086 15.964 1.00 0.00 H new ATOM 0 HD2 PHE P 51 9.321 -3.481 20.136 1.00 0.00 H new ATOM 0 HE1 PHE P 51 8.827 -1.049 15.852 1.00 0.00 H new ATOM 0 HE2 PHE P 51 7.938 -1.431 20.034 1.00 0.00 H new ATOM 0 HZ PHE P 51 7.682 -0.215 17.887 1.00 0.00 H new ATOM 1456 N ASN P 52 13.485 -6.447 16.892 1.00 0.00 N ATOM 1457 CA ASN P 52 14.291 -7.626 17.213 1.00 0.00 C ATOM 1458 C ASN P 52 15.753 -7.275 17.411 1.00 0.00 C ATOM 1459 O ASN P 52 16.210 -7.033 18.534 1.00 0.00 O ATOM 1460 CB ASN P 52 14.172 -8.641 16.090 1.00 0.00 C ATOM 1461 CG ASN P 52 12.751 -8.615 15.580 1.00 0.00 C ATOM 1462 OD1 ASN P 52 11.945 -9.495 15.878 1.00 0.00 O ATOM 1463 ND2 ASN P 52 12.407 -7.635 14.819 1.00 0.00 N ATOM 0 H ASN P 52 13.456 -6.214 15.899 1.00 0.00 H new ATOM 0 HA ASN P 52 13.913 -8.041 18.147 1.00 0.00 H new ATOM 0 HB2 ASN P 52 14.869 -8.402 15.286 1.00 0.00 H new ATOM 0 HB3 ASN P 52 14.429 -9.638 16.449 1.00 0.00 H new ATOM 0 HD21 ASN P 52 11.456 -7.581 14.455 1.00 0.00 H new ATOM 0 HD22 ASN P 52 13.086 -6.912 14.580 1.00 0.00 H new ATOM 1470 N TRP P 53 16.478 -7.191 16.305 1.00 0.00 N ATOM 1471 CA TRP P 53 17.855 -6.803 16.368 1.00 0.00 C ATOM 1472 C TRP P 53 17.926 -5.650 17.343 1.00 0.00 C ATOM 1473 O TRP P 53 18.933 -5.423 18.002 1.00 0.00 O ATOM 1474 CB TRP P 53 18.282 -6.322 14.998 1.00 0.00 C ATOM 1475 CG TRP P 53 17.371 -5.209 14.607 1.00 0.00 C ATOM 1476 CD1 TRP P 53 16.017 -5.286 14.539 1.00 0.00 C ATOM 1477 CD2 TRP P 53 17.715 -3.850 14.243 1.00 0.00 C ATOM 1478 NE1 TRP P 53 15.519 -4.069 14.175 1.00 0.00 N ATOM 1479 CE2 TRP P 53 16.524 -3.153 13.954 1.00 0.00 C ATOM 1480 CE3 TRP P 53 18.931 -3.163 14.133 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 16.538 -1.829 13.562 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 18.952 -1.817 13.738 1.00 0.00 C ATOM 1483 CH2 TRP P 53 17.755 -1.152 13.445 1.00 0.00 C ATOM 0 H TRP P 53 16.128 -7.387 15.367 1.00 0.00 H new ATOM 0 HA TRP P 53 18.498 -7.627 16.677 1.00 0.00 H new ATOM 0 HB2 TRP P 53 19.317 -5.981 15.017 1.00 0.00 H new ATOM 0 HB3 TRP P 53 18.228 -7.134 14.273 1.00 0.00 H new ATOM 0 HD1 TRP P 53 15.429 -6.169 14.741 1.00 0.00 H new ATOM 0 HE1 TRP P 53 14.525 -3.863 14.078 1.00 0.00 H new ATOM 0 HE3 TRP P 53 19.857 -3.672 14.354 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 15.611 -1.318 13.346 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 19.893 -1.293 13.660 1.00 0.00 H new ATOM 0 HH2 TRP P 53 17.772 -0.119 13.130 1.00 0.00 H new ATOM 1494 N LEU P 54 16.800 -4.943 17.422 1.00 0.00 N ATOM 1495 CA LEU P 54 16.656 -3.822 18.316 1.00 0.00 C ATOM 1496 C LEU P 54 16.650 -4.314 19.740 1.00 0.00 C ATOM 1497 O LEU P 54 17.456 -3.906 20.559 1.00 0.00 O ATOM 1498 CB LEU P 54 15.323 -3.141 18.052 1.00 0.00 C ATOM 1499 CG LEU P 54 15.468 -2.276 16.833 1.00 0.00 C ATOM 1500 CD1 LEU P 54 14.210 -1.426 16.659 1.00 0.00 C ATOM 1501 CD2 LEU P 54 16.695 -1.384 17.014 1.00 0.00 C ATOM 0 H LEU P 54 15.969 -5.140 16.864 1.00 0.00 H new ATOM 0 HA LEU P 54 17.481 -3.128 18.156 1.00 0.00 H new ATOM 0 HB2 LEU P 54 14.541 -3.884 17.899 1.00 0.00 H new ATOM 0 HB3 LEU P 54 15.027 -2.539 18.911 1.00 0.00 H new ATOM 0 HG LEU P 54 15.595 -2.891 15.942 1.00 0.00 H new ATOM 0 HD11 LEU P 54 14.315 -0.798 15.774 1.00 0.00 H new ATOM 0 HD12 LEU P 54 13.344 -2.077 16.541 1.00 0.00 H new ATOM 0 HD13 LEU P 54 14.073 -0.795 17.537 1.00 0.00 H new ATOM 0 HD21 LEU P 54 16.815 -0.748 16.137 1.00 0.00 H new ATOM 0 HD22 LEU P 54 16.564 -0.761 17.899 1.00 0.00 H new ATOM 0 HD23 LEU P 54 17.582 -2.006 17.136 1.00 0.00 H new ATOM 1513 N SER P 55 15.731 -5.212 20.021 1.00 0.00 N ATOM 1514 CA SER P 55 15.652 -5.774 21.351 1.00 0.00 C ATOM 1515 C SER P 55 17.077 -6.023 21.833 1.00 0.00 C ATOM 1516 O SER P 55 17.374 -5.959 23.025 1.00 0.00 O ATOM 1517 CB SER P 55 14.880 -7.093 21.323 1.00 0.00 C ATOM 1518 OG SER P 55 14.537 -7.465 22.652 1.00 0.00 O ATOM 0 H SER P 55 15.039 -5.564 19.359 1.00 0.00 H new ATOM 0 HA SER P 55 15.131 -5.089 22.020 1.00 0.00 H new ATOM 0 HB2 SER P 55 13.979 -6.988 20.719 1.00 0.00 H new ATOM 0 HB3 SER P 55 15.485 -7.872 20.860 1.00 0.00 H new ATOM 0 HG SER P 55 14.040 -8.310 22.637 1.00 0.00 H new ATOM 1524 N SER P 56 17.960 -6.289 20.873 1.00 0.00 N ATOM 1525 CA SER P 56 19.360 -6.529 21.177 1.00 0.00 C ATOM 1526 C SER P 56 20.170 -5.224 21.122 1.00 0.00 C ATOM 1527 O SER P 56 21.123 -5.046 21.878 1.00 0.00 O ATOM 1528 CB SER P 56 19.943 -7.525 20.174 1.00 0.00 C ATOM 1529 OG SER P 56 21.357 -7.557 20.314 1.00 0.00 O ATOM 0 H SER P 56 17.727 -6.343 19.881 1.00 0.00 H new ATOM 0 HA SER P 56 19.422 -6.936 22.186 1.00 0.00 H new ATOM 0 HB2 SER P 56 19.526 -8.518 20.345 1.00 0.00 H new ATOM 0 HB3 SER P 56 19.673 -7.237 19.158 1.00 0.00 H new ATOM 0 HG SER P 56 21.735 -8.196 19.674 1.00 0.00 H new ATOM 1535 N GLN P 57 19.789 -4.316 20.229 1.00 0.00 N ATOM 1536 CA GLN P 57 20.496 -3.047 20.105 1.00 0.00 C ATOM 1537 C GLN P 57 20.306 -2.207 21.369 1.00 0.00 C ATOM 1538 O GLN P 57 21.103 -1.321 21.673 1.00 0.00 O ATOM 1539 CB GLN P 57 19.951 -2.275 18.899 1.00 0.00 C ATOM 1540 CG GLN P 57 20.468 -0.834 18.924 1.00 0.00 C ATOM 1541 CD GLN P 57 19.292 0.130 19.110 1.00 0.00 C ATOM 1542 OE1 GLN P 57 18.844 0.763 18.155 1.00 0.00 O ATOM 1543 NE2 GLN P 57 18.763 0.280 20.295 1.00 0.00 N ATOM 0 H GLN P 57 19.004 -4.433 19.588 1.00 0.00 H new ATOM 0 HA GLN P 57 21.558 -3.248 19.968 1.00 0.00 H new ATOM 0 HB2 GLN P 57 20.258 -2.764 17.975 1.00 0.00 H new ATOM 0 HB3 GLN P 57 18.861 -2.280 18.916 1.00 0.00 H new ATOM 0 HG2 GLN P 57 21.186 -0.708 19.734 1.00 0.00 H new ATOM 0 HG3 GLN P 57 20.993 -0.609 17.995 1.00 0.00 H new ATOM 0 HE21 GLN P 57 19.133 -0.244 21.088 1.00 0.00 H new ATOM 0 HE22 GLN P 57 17.980 0.921 20.427 1.00 0.00 H new