USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 578 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: B 40 SER OG : rot -130:sc=-0.00695 USER MOD Set 1.2: B 42 LYS NZ :NH3+ 176:sc= -0.0377 (180deg=-0.116) USER MOD Set 1.3: B 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 25 ASN : amide:sc= 0.56 K(o=0.33,f=-6.4!) USER MOD Set 2.2: B 27 ASN : amide:sc= -0.227 X(o=0.33,f=0.031) USER MOD Single : B 6 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.084) USER MOD Single : B 8 SER OG : rot 180:sc= -0.047 USER MOD Single : B 15 MET CE :methyl 161:sc=-0.00525 (180deg=-0.419) USER MOD Single : B 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00614) USER MOD Single : B 20 LYS NZ :NH3+ 168:sc=-0.00659 (180deg=-0.143) USER MOD Single : B 21 HIS : no HD1:sc= -10.5! C(o=-10!,f=-3!) USER MOD Single : B 22 SER OG : rot 101:sc= 0.126 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot -79:sc= 1.17 USER MOD Single : B 35 LYS NZ :NH3+ 149:sc= 0.627 (180deg=0.159) USER MOD Single : B 36 THR OG1 : rot -15:sc= 0.251 USER MOD Single : B 37 SER OG : rot -65:sc= 0.305 USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.207 USER MOD Single : B 45 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -161:sc= -0.081 (180deg=-0.964) USER MOD Single : B 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0618) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= -0.0603 K(o=-0.06,f=-2.9!) USER MOD Single : B 59 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.5) USER MOD Single : B 60 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.36) USER MOD Single : B 61 LYS NZ :NH3+ 134:sc= 0.239 (180deg=-0.0468) USER MOD Single : B 68 TYR OH : rot 9:sc= 0.957 USER MOD Single : B 69 THR OG1 : rot -65:sc= 0.888 USER MOD Single : B 71 ASN : amide:sc= -0.0723 X(o=-0.072,f=0) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 9.304 9.718 -1.304 1.00 0.00 N ATOM 852 CA PRO B 5 9.799 8.373 -1.559 1.00 0.00 C ATOM 853 C PRO B 5 10.192 8.178 -3.023 1.00 0.00 C ATOM 854 O PRO B 5 9.597 8.773 -3.921 1.00 0.00 O ATOM 855 CB PRO B 5 8.646 7.446 -1.165 1.00 0.00 C ATOM 856 CG PRO B 5 7.404 8.287 -1.446 1.00 0.00 C ATOM 857 CD PRO B 5 7.862 9.705 -1.114 1.00 0.00 C ATOM 0 HA PRO B 5 10.705 8.166 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO B 5 8.650 6.527 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO B 5 8.705 7.155 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO B 5 7.085 8.200 -2.485 1.00 0.00 H new ATOM 0 HG3 PRO B 5 6.561 7.980 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO B 5 7.377 10.433 -1.764 1.00 0.00 H new ATOM 0 HD3 PRO B 5 7.602 9.969 -0.089 1.00 0.00 H new ATOM 865 N GLN B 6 11.209 7.337 -3.245 1.00 0.00 N ATOM 866 CA GLN B 6 11.714 6.981 -4.560 1.00 0.00 C ATOM 867 C GLN B 6 10.837 5.845 -5.083 1.00 0.00 C ATOM 868 O GLN B 6 11.110 4.676 -4.818 1.00 0.00 O ATOM 869 CB GLN B 6 13.192 6.567 -4.460 1.00 0.00 C ATOM 870 CG GLN B 6 14.085 7.644 -3.829 1.00 0.00 C ATOM 871 CD GLN B 6 14.030 8.968 -4.588 1.00 0.00 C ATOM 872 OE1 GLN B 6 14.714 9.136 -5.596 1.00 0.00 O ATOM 873 NE2 GLN B 6 13.221 9.914 -4.102 1.00 0.00 N ATOM 0 H GLN B 6 11.713 6.876 -2.487 1.00 0.00 H new ATOM 0 HA GLN B 6 11.671 7.824 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN B 6 13.267 5.653 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN B 6 13.565 6.335 -5.458 1.00 0.00 H new ATOM 0 HG2 GLN B 6 13.777 7.808 -2.796 1.00 0.00 H new ATOM 0 HG3 GLN B 6 15.115 7.287 -3.801 1.00 0.00 H new ATOM 0 HE21 GLN B 6 12.671 9.733 -3.263 1.00 0.00 H new ATOM 0 HE22 GLN B 6 13.154 10.818 -4.571 1.00 0.00 H new ATOM 882 N ILE B 7 9.803 6.200 -5.854 1.00 0.00 N ATOM 883 CA ILE B 7 8.809 5.281 -6.388 1.00 0.00 C ATOM 884 C ILE B 7 9.335 4.562 -7.631 1.00 0.00 C ATOM 885 O ILE B 7 10.041 5.142 -8.455 1.00 0.00 O ATOM 886 CB ILE B 7 7.504 6.038 -6.720 1.00 0.00 C ATOM 887 CG1 ILE B 7 6.881 6.749 -5.500 1.00 0.00 C ATOM 888 CG2 ILE B 7 6.474 5.096 -7.365 1.00 0.00 C ATOM 889 CD1 ILE B 7 5.985 5.860 -4.629 1.00 0.00 C ATOM 0 H ILE B 7 9.636 7.168 -6.129 1.00 0.00 H new ATOM 0 HA ILE B 7 8.599 4.530 -5.626 1.00 0.00 H new ATOM 0 HB ILE B 7 7.781 6.817 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE B 7 7.684 7.150 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE B 7 6.295 7.598 -5.852 1.00 0.00 H new ATOM 0 HG21 ILE B 7 5.564 5.652 -7.590 1.00 0.00 H new ATOM 0 HG22 ILE B 7 6.885 4.684 -8.287 1.00 0.00 H new ATOM 0 HG23 ILE B 7 6.243 4.284 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE B 7 5.592 6.444 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE B 7 5.158 5.479 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE B 7 6.568 5.024 -4.242 1.00 0.00 H new ATOM 901 N SER B 8 8.961 3.281 -7.734 1.00 0.00 N ATOM 902 CA SER B 8 9.258 2.362 -8.822 1.00 0.00 C ATOM 903 C SER B 8 7.932 1.743 -9.284 1.00 0.00 C ATOM 904 O SER B 8 6.880 2.027 -8.711 1.00 0.00 O ATOM 905 CB SER B 8 10.246 1.301 -8.319 1.00 0.00 C ATOM 906 OG SER B 8 10.646 0.444 -9.366 1.00 0.00 O ATOM 0 H SER B 8 8.404 2.835 -7.005 1.00 0.00 H new ATOM 0 HA SER B 8 9.722 2.868 -9.669 1.00 0.00 H new ATOM 0 HB2 SER B 8 11.121 1.789 -7.889 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.784 0.717 -7.523 1.00 0.00 H new ATOM 0 HG SER B 8 11.277 -0.222 -9.021 1.00 0.00 H new ATOM 912 N ASP B 9 7.970 0.905 -10.328 1.00 0.00 N ATOM 913 CA ASP B 9 6.785 0.235 -10.848 1.00 0.00 C ATOM 914 C ASP B 9 6.185 -0.644 -9.753 1.00 0.00 C ATOM 915 O ASP B 9 5.055 -0.408 -9.330 1.00 0.00 O ATOM 916 CB ASP B 9 7.155 -0.581 -12.094 1.00 0.00 C ATOM 917 CG ASP B 9 5.980 -1.418 -12.599 1.00 0.00 C ATOM 918 OD1 ASP B 9 4.947 -0.804 -12.945 1.00 0.00 O ATOM 919 OD2 ASP B 9 6.134 -2.658 -12.625 1.00 0.00 O ATOM 0 H ASP B 9 8.827 0.676 -10.832 1.00 0.00 H new ATOM 0 HA ASP B 9 6.036 0.969 -11.145 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.486 0.093 -12.884 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.994 -1.237 -11.862 1.00 0.00 H new ATOM 924 N ALA B 10 6.963 -1.626 -9.279 1.00 0.00 N ATOM 925 CA ALA B 10 6.577 -2.553 -8.225 1.00 0.00 C ATOM 926 C ALA B 10 6.048 -1.838 -6.984 1.00 0.00 C ATOM 927 O ALA B 10 5.149 -2.353 -6.323 1.00 0.00 O ATOM 928 CB ALA B 10 7.781 -3.423 -7.850 1.00 0.00 C ATOM 0 H ALA B 10 7.904 -1.796 -9.633 1.00 0.00 H new ATOM 0 HA ALA B 10 5.766 -3.172 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA B 10 7.496 -4.119 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA B 10 8.112 -3.983 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA B 10 8.593 -2.788 -7.497 1.00 0.00 H new ATOM 934 N GLU B 11 6.593 -0.653 -6.682 1.00 0.00 N ATOM 935 CA GLU B 11 6.228 0.135 -5.527 1.00 0.00 C ATOM 936 C GLU B 11 4.761 0.546 -5.565 1.00 0.00 C ATOM 937 O GLU B 11 4.029 0.321 -4.603 1.00 0.00 O ATOM 938 CB GLU B 11 7.117 1.386 -5.462 1.00 0.00 C ATOM 939 CG GLU B 11 7.168 1.881 -4.017 1.00 0.00 C ATOM 940 CD GLU B 11 8.311 2.846 -3.722 1.00 0.00 C ATOM 941 OE1 GLU B 11 9.400 2.622 -4.291 1.00 0.00 O ATOM 942 OE2 GLU B 11 8.097 3.767 -2.904 1.00 0.00 O ATOM 0 H GLU B 11 7.315 -0.217 -7.255 1.00 0.00 H new ATOM 0 HA GLU B 11 6.377 -0.478 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU B 11 8.121 1.154 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.721 2.165 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU B 11 6.224 2.372 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU B 11 7.255 1.020 -3.354 1.00 0.00 H new ATOM 949 N LEU B 12 4.349 1.148 -6.686 1.00 0.00 N ATOM 950 CA LEU B 12 3.012 1.669 -6.896 1.00 0.00 C ATOM 951 C LEU B 12 2.000 0.560 -7.198 1.00 0.00 C ATOM 952 O LEU B 12 0.853 0.676 -6.781 1.00 0.00 O ATOM 953 CB LEU B 12 3.075 2.737 -8.006 1.00 0.00 C ATOM 954 CG LEU B 12 2.065 3.897 -7.921 1.00 0.00 C ATOM 955 CD1 LEU B 12 0.606 3.475 -8.106 1.00 0.00 C ATOM 956 CD2 LEU B 12 2.221 4.703 -6.628 1.00 0.00 C ATOM 0 H LEU B 12 4.961 1.286 -7.490 1.00 0.00 H new ATOM 0 HA LEU B 12 2.653 2.133 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU B 12 4.079 3.162 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU B 12 2.936 2.237 -8.965 1.00 0.00 H new ATOM 0 HG LEU B 12 2.314 4.535 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.038 4.351 -8.032 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.482 3.015 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.334 2.758 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.489 5.510 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.060 4.050 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.225 5.124 -6.580 1.00 0.00 H new ATOM 968 N GLU B 13 2.401 -0.514 -7.897 1.00 0.00 N ATOM 969 CA GLU B 13 1.518 -1.625 -8.242 1.00 0.00 C ATOM 970 C GLU B 13 0.718 -2.160 -7.050 1.00 0.00 C ATOM 971 O GLU B 13 -0.467 -2.451 -7.205 1.00 0.00 O ATOM 972 CB GLU B 13 2.310 -2.740 -8.929 1.00 0.00 C ATOM 973 CG GLU B 13 2.608 -2.378 -10.389 1.00 0.00 C ATOM 974 CD GLU B 13 3.378 -3.474 -11.125 1.00 0.00 C ATOM 975 OE1 GLU B 13 4.236 -4.115 -10.480 1.00 0.00 O ATOM 976 OE2 GLU B 13 3.101 -3.647 -12.332 1.00 0.00 O ATOM 0 H GLU B 13 3.355 -0.631 -8.238 1.00 0.00 H new ATOM 0 HA GLU B 13 0.778 -1.234 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.244 -2.911 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.745 -3.671 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.670 -2.187 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.184 -1.453 -10.419 1.00 0.00 H new ATOM 983 N VAL B 14 1.340 -2.281 -5.869 1.00 0.00 N ATOM 984 CA VAL B 14 0.654 -2.750 -4.672 1.00 0.00 C ATOM 985 C VAL B 14 -0.217 -1.623 -4.124 1.00 0.00 C ATOM 986 O VAL B 14 -1.374 -1.868 -3.805 1.00 0.00 O ATOM 987 CB VAL B 14 1.627 -3.336 -3.626 1.00 0.00 C ATOM 988 CG1 VAL B 14 2.735 -4.137 -4.316 1.00 0.00 C ATOM 989 CG2 VAL B 14 2.242 -2.335 -2.636 1.00 0.00 C ATOM 0 H VAL B 14 2.324 -2.057 -5.724 1.00 0.00 H new ATOM 0 HA VAL B 14 0.004 -3.584 -4.936 1.00 0.00 H new ATOM 0 HB VAL B 14 1.000 -3.982 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL B 14 3.412 -4.543 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL B 14 2.292 -4.954 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL B 14 3.290 -3.484 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.907 -2.862 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL B 14 2.808 -1.582 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.448 -1.850 -2.069 1.00 0.00 H new ATOM 999 N MET B 15 0.320 -0.395 -4.054 1.00 0.00 N ATOM 1000 CA MET B 15 -0.383 0.784 -3.554 1.00 0.00 C ATOM 1001 C MET B 15 -1.700 0.984 -4.304 1.00 0.00 C ATOM 1002 O MET B 15 -2.712 1.309 -3.687 1.00 0.00 O ATOM 1003 CB MET B 15 0.491 2.044 -3.628 1.00 0.00 C ATOM 1004 CG MET B 15 1.957 1.782 -3.245 1.00 0.00 C ATOM 1005 SD MET B 15 2.958 3.251 -2.887 1.00 0.00 S ATOM 1006 CE MET B 15 2.316 3.658 -1.242 1.00 0.00 C ATOM 0 H MET B 15 1.275 -0.196 -4.351 1.00 0.00 H new ATOM 0 HA MET B 15 -0.609 0.611 -2.502 1.00 0.00 H new ATOM 0 HB2 MET B 15 0.452 2.447 -4.640 1.00 0.00 H new ATOM 0 HB3 MET B 15 0.079 2.805 -2.965 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.973 1.133 -2.369 1.00 0.00 H new ATOM 0 HG3 MET B 15 2.432 1.232 -4.058 1.00 0.00 H new ATOM 0 HE1 MET B 15 3.023 4.307 -0.726 1.00 0.00 H new ATOM 0 HE2 MET B 15 1.359 4.170 -1.341 1.00 0.00 H new ATOM 0 HE3 MET B 15 2.179 2.742 -0.668 1.00 0.00 H new ATOM 1016 N LYS B 16 -1.676 0.771 -5.629 1.00 0.00 N ATOM 1017 CA LYS B 16 -2.834 0.828 -6.507 1.00 0.00 C ATOM 1018 C LYS B 16 -3.890 -0.126 -5.956 1.00 0.00 C ATOM 1019 O LYS B 16 -5.038 0.267 -5.764 1.00 0.00 O ATOM 1020 CB LYS B 16 -2.413 0.452 -7.934 1.00 0.00 C ATOM 1021 CG LYS B 16 -3.586 0.603 -8.907 1.00 0.00 C ATOM 1022 CD LYS B 16 -3.223 0.045 -10.289 1.00 0.00 C ATOM 1023 CE LYS B 16 -4.455 -0.081 -11.192 1.00 0.00 C ATOM 1024 NZ LYS B 16 -5.080 1.223 -11.469 1.00 0.00 N ATOM 0 H LYS B 16 -0.814 0.547 -6.127 1.00 0.00 H new ATOM 0 HA LYS B 16 -3.253 1.834 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -1.587 1.087 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -2.050 -0.576 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -4.458 0.079 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -3.859 1.655 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.490 0.697 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -2.754 -0.932 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -4.167 -0.551 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -5.184 -0.738 -10.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -5.878 1.094 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -5.425 1.638 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -4.379 1.860 -11.899 1.00 0.00 H new ATOM 1038 N VAL B 17 -3.473 -1.365 -5.674 1.00 0.00 N ATOM 1039 CA VAL B 17 -4.317 -2.407 -5.122 1.00 0.00 C ATOM 1040 C VAL B 17 -4.753 -2.071 -3.687 1.00 0.00 C ATOM 1041 O VAL B 17 -5.895 -2.360 -3.334 1.00 0.00 O ATOM 1042 CB VAL B 17 -3.599 -3.760 -5.264 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -4.262 -4.828 -4.407 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -3.646 -4.234 -6.723 1.00 0.00 C ATOM 0 H VAL B 17 -2.512 -1.669 -5.831 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.249 -2.477 -5.683 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.569 -3.615 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -3.732 -5.773 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -4.230 -4.526 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -5.300 -4.951 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -3.135 -5.193 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.684 -4.347 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -3.153 -3.500 -7.360 1.00 0.00 H new ATOM 1054 N ILE B 18 -3.884 -1.464 -2.859 1.00 0.00 N ATOM 1055 CA ILE B 18 -4.250 -1.084 -1.495 1.00 0.00 C ATOM 1056 C ILE B 18 -5.351 -0.022 -1.540 1.00 0.00 C ATOM 1057 O ILE B 18 -6.309 -0.114 -0.776 1.00 0.00 O ATOM 1058 CB ILE B 18 -3.041 -0.594 -0.666 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -1.966 -1.694 -0.552 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -3.518 -0.129 0.723 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -0.903 -1.426 0.519 1.00 0.00 C ATOM 0 H ILE B 18 -2.925 -1.229 -3.116 1.00 0.00 H new ATOM 0 HA ILE B 18 -4.622 -1.975 -0.990 1.00 0.00 H new ATOM 0 HB ILE B 18 -2.582 0.253 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -2.455 -2.643 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.473 -1.805 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -2.663 0.216 1.305 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -4.232 0.687 0.608 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -3.997 -0.960 1.240 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.186 -2.247 0.533 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.384 -0.495 0.292 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -1.382 -1.345 1.495 1.00 0.00 H new ATOM 1073 N TRP B 19 -5.219 0.972 -2.430 1.00 0.00 N ATOM 1074 CA TRP B 19 -6.192 2.046 -2.576 1.00 0.00 C ATOM 1075 C TRP B 19 -7.583 1.538 -2.988 1.00 0.00 C ATOM 1076 O TRP B 19 -8.559 2.257 -2.779 1.00 0.00 O ATOM 1077 CB TRP B 19 -5.645 3.161 -3.484 1.00 0.00 C ATOM 1078 CG TRP B 19 -4.561 4.026 -2.894 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -4.624 4.637 -1.687 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -3.276 4.441 -3.466 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -3.488 5.378 -1.468 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -2.600 5.254 -2.510 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -2.611 4.237 -4.695 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -1.314 5.766 -2.727 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -1.321 4.752 -4.927 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -0.657 5.487 -3.932 1.00 0.00 C ATOM 0 H TRP B 19 -4.427 1.047 -3.069 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.346 2.491 -1.593 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.260 2.703 -4.395 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.476 3.804 -3.776 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -5.449 4.554 -0.995 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -3.324 5.948 -0.638 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.103 3.674 -5.474 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -0.834 6.370 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -0.839 4.580 -5.878 1.00 0.00 H new ATOM 0 HH2 TRP B 19 0.353 5.835 -4.095 1.00 0.00 H new ATOM 1097 N LYS B 20 -7.699 0.317 -3.541 1.00 0.00 N ATOM 1098 CA LYS B 20 -8.995 -0.274 -3.866 1.00 0.00 C ATOM 1099 C LYS B 20 -9.701 -0.588 -2.543 1.00 0.00 C ATOM 1100 O LYS B 20 -10.858 -0.217 -2.350 1.00 0.00 O ATOM 1101 CB LYS B 20 -8.850 -1.561 -4.692 1.00 0.00 C ATOM 1102 CG LYS B 20 -8.051 -1.405 -5.990 1.00 0.00 C ATOM 1103 CD LYS B 20 -8.712 -0.452 -6.994 1.00 0.00 C ATOM 1104 CE LYS B 20 -7.903 -0.357 -8.294 1.00 0.00 C ATOM 1105 NZ LYS B 20 -7.876 -1.633 -9.029 1.00 0.00 N ATOM 0 H LYS B 20 -6.902 -0.277 -3.770 1.00 0.00 H new ATOM 0 HA LYS B 20 -9.569 0.429 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -8.369 -2.320 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -9.845 -1.933 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -7.053 -1.038 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -7.929 -2.384 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -9.721 -0.799 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -8.806 0.539 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -8.331 0.417 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -6.883 -0.051 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -7.499 -1.475 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -7.269 -2.311 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -8.841 -2.015 -9.096 1.00 0.00 H new ATOM 1119 N HIS B 21 -8.978 -1.261 -1.636 1.00 0.00 N ATOM 1120 CA HIS B 21 -9.425 -1.615 -0.293 1.00 0.00 C ATOM 1121 C HIS B 21 -9.513 -0.321 0.541 1.00 0.00 C ATOM 1122 O HIS B 21 -8.894 0.670 0.150 1.00 0.00 O ATOM 1123 CB HIS B 21 -8.428 -2.647 0.279 1.00 0.00 C ATOM 1124 CG HIS B 21 -9.037 -3.541 1.333 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -9.671 -4.736 0.980 1.00 0.00 N ATOM 1126 CD2 HIS B 21 -9.122 -3.382 2.691 1.00 0.00 C ATOM 1127 CE1 HIS B 21 -10.111 -5.250 2.132 1.00 0.00 C ATOM 1128 NE2 HIS B 21 -9.799 -4.478 3.188 1.00 0.00 N ATOM 0 H HIS B 21 -8.030 -1.583 -1.831 1.00 0.00 H new ATOM 0 HA HIS B 21 -10.414 -2.072 -0.283 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -8.046 -3.263 -0.535 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -7.575 -2.120 0.707 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -8.732 -2.554 3.265 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -10.655 -6.180 2.207 1.00 0.00 H new ATOM 0 HE2 HIS B 21 -10.020 -4.666 4.166 1.00 0.00 H new ATOM 1136 N SER B 22 -10.277 -0.272 1.654 1.00 0.00 N ATOM 1137 CA SER B 22 -10.342 0.969 2.444 1.00 0.00 C ATOM 1138 C SER B 22 -8.918 1.222 2.942 1.00 0.00 C ATOM 1139 O SER B 22 -8.310 2.235 2.600 1.00 0.00 O ATOM 1140 CB SER B 22 -11.355 0.810 3.586 1.00 0.00 C ATOM 1141 OG SER B 22 -11.115 -0.367 4.330 1.00 0.00 O ATOM 0 H SER B 22 -10.836 -1.046 2.013 1.00 0.00 H new ATOM 0 HA SER B 22 -10.687 1.823 1.861 1.00 0.00 H new ATOM 0 HB2 SER B 22 -11.301 1.676 4.245 1.00 0.00 H new ATOM 0 HB3 SER B 22 -12.365 0.784 3.177 1.00 0.00 H new ATOM 0 HG SER B 22 -10.644 -0.140 5.159 1.00 0.00 H new ATOM 1147 N SER B 23 -8.389 0.266 3.710 1.00 0.00 N ATOM 1148 CA SER B 23 -6.964 0.121 3.937 1.00 0.00 C ATOM 1149 C SER B 23 -6.749 -1.377 3.644 1.00 0.00 C ATOM 1150 O SER B 23 -7.587 -1.978 2.973 1.00 0.00 O ATOM 1151 CB SER B 23 -6.610 0.537 5.359 1.00 0.00 C ATOM 1152 OG SER B 23 -6.955 1.887 5.578 1.00 0.00 O ATOM 0 H SER B 23 -8.952 -0.433 4.194 1.00 0.00 H new ATOM 0 HA SER B 23 -6.322 0.750 3.320 1.00 0.00 H new ATOM 0 HB2 SER B 23 -7.135 -0.099 6.072 1.00 0.00 H new ATOM 0 HB3 SER B 23 -5.543 0.395 5.531 1.00 0.00 H new ATOM 0 HG SER B 23 -6.723 2.139 6.496 1.00 0.00 H new ATOM 1158 N ILE B 24 -5.725 -2.046 4.190 1.00 0.00 N ATOM 1159 CA ILE B 24 -5.577 -3.495 4.018 1.00 0.00 C ATOM 1160 C ILE B 24 -4.856 -4.133 5.220 1.00 0.00 C ATOM 1161 O ILE B 24 -4.050 -3.425 5.822 1.00 0.00 O ATOM 1162 CB ILE B 24 -5.041 -3.783 2.603 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -5.394 -5.197 2.140 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -3.545 -3.493 2.516 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -5.215 -5.361 0.627 1.00 0.00 C ATOM 0 H ILE B 24 -4.993 -1.610 4.750 1.00 0.00 H new ATOM 0 HA ILE B 24 -6.536 -4.013 4.046 1.00 0.00 H new ATOM 0 HB ILE B 24 -5.538 -3.104 1.910 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -4.764 -5.918 2.661 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -6.426 -5.421 2.410 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -3.191 -3.704 1.507 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -3.363 -2.444 2.752 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -3.010 -4.123 3.227 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -5.476 -6.379 0.338 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -5.865 -4.658 0.105 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.177 -5.163 0.360 1.00 0.00 H new ATOM 1177 N ASN B 25 -5.072 -5.415 5.595 1.00 0.00 N ATOM 1178 CA ASN B 25 -4.314 -6.048 6.656 1.00 0.00 C ATOM 1179 C ASN B 25 -3.471 -7.122 5.952 1.00 0.00 C ATOM 1180 O ASN B 25 -3.633 -7.351 4.752 1.00 0.00 O ATOM 1181 CB ASN B 25 -5.264 -6.614 7.714 1.00 0.00 C ATOM 1182 CG ASN B 25 -6.319 -7.562 7.147 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -5.995 -8.662 6.706 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -7.586 -7.140 7.170 1.00 0.00 N ATOM 0 H ASN B 25 -5.773 -6.019 5.165 1.00 0.00 H new ATOM 0 HA ASN B 25 -3.666 -5.360 7.199 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -4.681 -7.143 8.468 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -5.764 -5.788 8.220 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -8.330 -7.739 6.812 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -7.810 -6.218 7.546 1.00 0.00 H new ATOM 1191 N THR B 26 -2.572 -7.786 6.680 1.00 0.00 N ATOM 1192 CA THR B 26 -1.691 -8.809 6.125 1.00 0.00 C ATOM 1193 C THR B 26 -2.416 -10.003 5.488 1.00 0.00 C ATOM 1194 O THR B 26 -1.782 -10.735 4.730 1.00 0.00 O ATOM 1195 CB THR B 26 -0.574 -9.203 7.100 1.00 0.00 C ATOM 1196 OG1 THR B 26 -0.998 -9.085 8.443 1.00 0.00 O ATOM 1197 CG2 THR B 26 0.670 -8.348 6.825 1.00 0.00 C ATOM 0 H THR B 26 -2.436 -7.626 7.678 1.00 0.00 H new ATOM 0 HA THR B 26 -1.199 -8.337 5.275 1.00 0.00 H new ATOM 0 HB THR B 26 -0.320 -10.251 6.942 1.00 0.00 H new ATOM 0 HG1 THR B 26 -0.266 -9.344 9.041 1.00 0.00 H new ATOM 0 HG21 THR B 26 1.464 -8.628 7.518 1.00 0.00 H new ATOM 0 HG22 THR B 26 1.006 -8.514 5.801 1.00 0.00 H new ATOM 0 HG23 THR B 26 0.425 -7.295 6.960 1.00 0.00 H new ATOM 1205 N ASN B 27 -3.694 -10.251 5.806 1.00 0.00 N ATOM 1206 CA ASN B 27 -4.445 -11.336 5.174 1.00 0.00 C ATOM 1207 C ASN B 27 -5.013 -10.899 3.826 1.00 0.00 C ATOM 1208 O ASN B 27 -4.793 -11.562 2.815 1.00 0.00 O ATOM 1209 CB ASN B 27 -5.526 -11.863 6.125 1.00 0.00 C ATOM 1210 CG ASN B 27 -6.975 -11.828 5.629 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -7.332 -12.527 4.683 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -7.819 -11.022 6.279 1.00 0.00 N ATOM 0 H ASN B 27 -4.224 -9.716 6.494 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.764 -12.162 4.970 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.280 -12.895 6.377 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -5.472 -11.288 7.049 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -8.797 -10.972 5.995 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -7.485 -10.457 7.060 1.00 0.00 H new ATOM 1219 N GLU B 28 -5.763 -9.792 3.835 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.422 -9.223 2.675 1.00 0.00 C ATOM 1221 C GLU B 28 -5.446 -8.976 1.525 1.00 0.00 C ATOM 1222 O GLU B 28 -5.781 -9.222 0.368 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.126 -7.936 3.124 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.331 -8.215 4.029 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.404 -9.066 3.354 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -9.814 -8.691 2.234 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -9.793 -10.083 3.968 1.00 0.00 O ATOM 0 H GLU B 28 -5.928 -9.255 4.686 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.156 -9.927 2.282 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.415 -7.302 3.655 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.455 -7.380 2.246 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -7.990 -8.721 4.932 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -8.770 -7.268 4.341 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.236 -8.516 1.854 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.163 -8.234 0.912 1.00 0.00 C ATOM 1236 C VAL B 29 -2.705 -9.514 0.208 1.00 0.00 C ATOM 1237 O VAL B 29 -2.553 -9.518 -1.011 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.040 -7.508 1.671 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.334 -8.397 2.677 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -0.975 -6.887 0.780 1.00 0.00 C ATOM 0 H VAL B 29 -3.973 -8.325 2.821 1.00 0.00 H new ATOM 0 HA VAL B 29 -3.506 -7.579 0.112 1.00 0.00 H new ATOM 0 HB VAL B 29 -2.575 -6.708 2.183 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.552 -7.828 3.180 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -2.053 -8.755 3.414 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.888 -9.248 2.161 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -0.224 -6.397 1.399 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.501 -7.666 0.183 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -1.436 -6.153 0.119 1.00 0.00 H new ATOM 1250 N ILE B 30 -2.509 -10.597 0.973 1.00 0.00 N ATOM 1251 CA ILE B 30 -2.092 -11.895 0.444 1.00 0.00 C ATOM 1252 C ILE B 30 -3.166 -12.409 -0.504 1.00 0.00 C ATOM 1253 O ILE B 30 -2.894 -12.586 -1.689 1.00 0.00 O ATOM 1254 CB ILE B 30 -1.759 -12.901 1.570 1.00 0.00 C ATOM 1255 CG1 ILE B 30 -0.472 -12.460 2.287 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -1.559 -14.320 1.004 1.00 0.00 C ATOM 1257 CD1 ILE B 30 -0.140 -13.266 3.545 1.00 0.00 C ATOM 0 H ILE B 30 -2.638 -10.592 1.985 1.00 0.00 H new ATOM 0 HA ILE B 30 -1.164 -11.774 -0.115 1.00 0.00 H new ATOM 0 HB ILE B 30 -2.594 -12.919 2.270 1.00 0.00 H new ATOM 0 HG12 ILE B 30 0.362 -12.538 1.590 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -0.564 -11.408 2.558 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -1.326 -15.007 1.818 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.472 -14.645 0.505 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -0.737 -14.314 0.288 1.00 0.00 H new ATOM 0 HD11 ILE B 30 0.782 -12.888 3.986 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -0.953 -13.169 4.264 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -0.012 -14.316 3.281 1.00 0.00 H new ATOM 1269 N LYS B 31 -4.381 -12.616 0.015 1.00 0.00 N ATOM 1270 CA LYS B 31 -5.523 -13.102 -0.747 1.00 0.00 C ATOM 1271 C LYS B 31 -5.731 -12.333 -2.059 1.00 0.00 C ATOM 1272 O LYS B 31 -6.165 -12.926 -3.044 1.00 0.00 O ATOM 1273 CB LYS B 31 -6.783 -13.040 0.130 1.00 0.00 C ATOM 1274 CG LYS B 31 -6.769 -14.058 1.282 1.00 0.00 C ATOM 1275 CD LYS B 31 -7.067 -15.480 0.783 1.00 0.00 C ATOM 1276 CE LYS B 31 -7.151 -16.493 1.931 1.00 0.00 C ATOM 1277 NZ LYS B 31 -5.833 -16.751 2.534 1.00 0.00 N ATOM 0 H LYS B 31 -4.596 -12.445 0.997 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.321 -14.135 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -6.882 -12.036 0.542 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -7.660 -13.217 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.796 -14.040 1.772 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.508 -13.772 2.030 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.007 -15.480 0.232 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.289 -15.789 0.085 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.833 -16.120 2.695 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.570 -17.428 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -5.933 -17.441 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.189 -17.131 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.444 -15.863 2.912 1.00 0.00 H new ATOM 1291 N GLU B 32 -5.410 -11.032 -2.081 1.00 0.00 N ATOM 1292 CA GLU B 32 -5.566 -10.180 -3.250 1.00 0.00 C ATOM 1293 C GLU B 32 -4.371 -10.252 -4.213 1.00 0.00 C ATOM 1294 O GLU B 32 -4.547 -10.663 -5.359 1.00 0.00 O ATOM 1295 CB GLU B 32 -5.874 -8.756 -2.772 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.201 -7.803 -3.926 1.00 0.00 C ATOM 1297 CD GLU B 32 -6.904 -6.543 -3.419 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -6.443 -6.002 -2.390 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.889 -6.138 -4.073 1.00 0.00 O ATOM 0 H GLU B 32 -5.030 -10.542 -1.271 1.00 0.00 H new ATOM 0 HA GLU B 32 -6.403 -10.542 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -6.715 -8.784 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -5.018 -8.370 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -5.283 -7.527 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.837 -8.311 -4.652 1.00 0.00 H new ATOM 1306 N LEU B 33 -3.165 -9.865 -3.767 1.00 0.00 N ATOM 1307 CA LEU B 33 -1.967 -9.833 -4.605 1.00 0.00 C ATOM 1308 C LEU B 33 -1.428 -11.209 -5.014 1.00 0.00 C ATOM 1309 O LEU B 33 -1.283 -11.446 -6.209 1.00 0.00 O ATOM 1310 CB LEU B 33 -0.831 -9.013 -3.960 1.00 0.00 C ATOM 1311 CG LEU B 33 -0.928 -7.477 -4.049 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -1.243 -6.969 -5.460 1.00 0.00 C ATOM 1313 CD2 LEU B 33 -1.897 -6.894 -3.016 1.00 0.00 C ATOM 0 H LEU B 33 -2.998 -9.564 -2.807 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.306 -9.344 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.774 -9.287 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU B 33 0.109 -9.319 -4.420 1.00 0.00 H new ATOM 0 HG LEU B 33 0.070 -7.111 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -1.297 -5.880 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.458 -7.288 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -2.199 -7.377 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.930 -5.809 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -2.893 -7.305 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.558 -7.153 -2.013 1.00 0.00 H new ATOM 1325 N SER B 34 -1.106 -12.092 -4.056 1.00 0.00 N ATOM 1326 CA SER B 34 -0.491 -13.401 -4.308 1.00 0.00 C ATOM 1327 C SER B 34 -1.069 -14.190 -5.489 1.00 0.00 C ATOM 1328 O SER B 34 -0.318 -14.855 -6.199 1.00 0.00 O ATOM 1329 CB SER B 34 -0.472 -14.257 -3.035 1.00 0.00 C ATOM 1330 OG SER B 34 -1.736 -14.826 -2.774 1.00 0.00 O ATOM 0 H SER B 34 -1.270 -11.911 -3.066 1.00 0.00 H new ATOM 0 HA SER B 34 0.530 -13.165 -4.609 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.270 -15.049 -3.139 1.00 0.00 H new ATOM 0 HB3 SER B 34 -0.166 -13.643 -2.188 1.00 0.00 H new ATOM 0 HG SER B 34 -2.320 -14.153 -2.365 1.00 0.00 H new ATOM 1336 N LYS B 35 -2.389 -14.122 -5.699 1.00 0.00 N ATOM 1337 CA LYS B 35 -3.058 -14.823 -6.785 1.00 0.00 C ATOM 1338 C LYS B 35 -2.655 -14.265 -8.153 1.00 0.00 C ATOM 1339 O LYS B 35 -2.313 -15.029 -9.054 1.00 0.00 O ATOM 1340 CB LYS B 35 -4.579 -14.733 -6.610 1.00 0.00 C ATOM 1341 CG LYS B 35 -5.048 -15.524 -5.385 1.00 0.00 C ATOM 1342 CD LYS B 35 -6.577 -15.472 -5.280 1.00 0.00 C ATOM 1343 CE LYS B 35 -7.107 -16.343 -4.135 1.00 0.00 C ATOM 1344 NZ LYS B 35 -6.623 -15.887 -2.822 1.00 0.00 N ATOM 0 H LYS B 35 -3.020 -13.575 -5.114 1.00 0.00 H new ATOM 0 HA LYS B 35 -2.748 -15.867 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.874 -13.689 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.073 -15.116 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.716 -16.559 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.599 -15.111 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -6.894 -14.441 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -7.016 -15.804 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -8.197 -16.329 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -6.800 -17.377 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -7.337 -16.099 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -5.736 -16.378 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -6.453 -14.861 -2.852 1.00 0.00 H new ATOM 1358 N THR B 36 -2.698 -12.935 -8.301 1.00 0.00 N ATOM 1359 CA THR B 36 -2.399 -12.239 -9.545 1.00 0.00 C ATOM 1360 C THR B 36 -0.897 -12.119 -9.830 1.00 0.00 C ATOM 1361 O THR B 36 -0.461 -12.413 -10.942 1.00 0.00 O ATOM 1362 CB THR B 36 -3.066 -10.853 -9.533 1.00 0.00 C ATOM 1363 OG1 THR B 36 -2.622 -10.090 -8.429 1.00 0.00 O ATOM 1364 CG2 THR B 36 -4.594 -10.967 -9.481 1.00 0.00 C ATOM 0 H THR B 36 -2.948 -12.305 -7.539 1.00 0.00 H new ATOM 0 HA THR B 36 -2.808 -12.841 -10.357 1.00 0.00 H new ATOM 0 HB THR B 36 -2.781 -10.353 -10.459 1.00 0.00 H new ATOM 0 HG1 THR B 36 -2.184 -10.679 -7.779 1.00 0.00 H new ATOM 0 HG21 THR B 36 -5.033 -9.969 -9.474 1.00 0.00 H new ATOM 0 HG22 THR B 36 -4.948 -11.513 -10.355 1.00 0.00 H new ATOM 0 HG23 THR B 36 -4.889 -11.500 -8.577 1.00 0.00 H new ATOM 1372 N SER B 37 -0.113 -11.698 -8.831 1.00 0.00 N ATOM 1373 CA SER B 37 1.321 -11.456 -8.934 1.00 0.00 C ATOM 1374 C SER B 37 2.167 -12.670 -8.549 1.00 0.00 C ATOM 1375 O SER B 37 1.677 -13.598 -7.908 1.00 0.00 O ATOM 1376 CB SER B 37 1.679 -10.271 -8.035 1.00 0.00 C ATOM 1377 OG SER B 37 1.434 -10.607 -6.686 1.00 0.00 O ATOM 0 H SER B 37 -0.478 -11.511 -7.897 1.00 0.00 H new ATOM 0 HA SER B 37 1.546 -11.243 -9.979 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.727 -10.004 -8.169 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.090 -9.398 -8.315 1.00 0.00 H new ATOM 0 HG SER B 37 0.473 -10.743 -6.552 1.00 0.00 H new ATOM 1383 N THR B 38 3.445 -12.645 -8.961 1.00 0.00 N ATOM 1384 CA THR B 38 4.433 -13.674 -8.659 1.00 0.00 C ATOM 1385 C THR B 38 4.554 -13.785 -7.138 1.00 0.00 C ATOM 1386 O THR B 38 4.160 -14.809 -6.582 1.00 0.00 O ATOM 1387 CB THR B 38 5.774 -13.342 -9.336 1.00 0.00 C ATOM 1388 OG1 THR B 38 6.181 -12.021 -9.036 1.00 0.00 O ATOM 1389 CG2 THR B 38 5.672 -13.497 -10.857 1.00 0.00 C ATOM 0 H THR B 38 3.822 -11.885 -9.528 1.00 0.00 H new ATOM 0 HA THR B 38 4.122 -14.641 -9.054 1.00 0.00 H new ATOM 0 HB THR B 38 6.513 -14.043 -8.949 1.00 0.00 H new ATOM 0 HG1 THR B 38 7.036 -11.834 -9.476 1.00 0.00 H new ATOM 0 HG21 THR B 38 6.633 -13.257 -11.312 1.00 0.00 H new ATOM 0 HG22 THR B 38 5.402 -14.524 -11.101 1.00 0.00 H new ATOM 0 HG23 THR B 38 4.909 -12.820 -11.241 1.00 0.00 H new ATOM 1397 N TRP B 39 5.078 -12.722 -6.502 1.00 0.00 N ATOM 1398 CA TRP B 39 5.247 -12.496 -5.074 1.00 0.00 C ATOM 1399 C TRP B 39 4.513 -13.513 -4.195 1.00 0.00 C ATOM 1400 O TRP B 39 3.312 -13.386 -3.959 1.00 0.00 O ATOM 1401 CB TRP B 39 4.756 -11.072 -4.768 1.00 0.00 C ATOM 1402 CG TRP B 39 5.328 -9.953 -5.593 1.00 0.00 C ATOM 1403 CD1 TRP B 39 6.605 -9.847 -6.023 1.00 0.00 C ATOM 1404 CD2 TRP B 39 4.646 -8.764 -6.097 1.00 0.00 C ATOM 1405 NE1 TRP B 39 6.761 -8.690 -6.760 1.00 0.00 N ATOM 1406 CE2 TRP B 39 5.581 -7.978 -6.830 1.00 0.00 C ATOM 1407 CE3 TRP B 39 3.334 -8.254 -5.982 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 5.227 -6.758 -7.430 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 2.965 -7.038 -6.583 1.00 0.00 C ATOM 1410 CH2 TRP B 39 3.909 -6.287 -7.305 1.00 0.00 C ATOM 0 H TRP B 39 5.425 -11.927 -7.038 1.00 0.00 H new ATOM 0 HA TRP B 39 6.303 -12.620 -4.834 1.00 0.00 H new ATOM 0 HB2 TRP B 39 3.672 -11.057 -4.884 1.00 0.00 H new ATOM 0 HB3 TRP B 39 4.967 -10.860 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP B 39 7.388 -10.562 -5.820 1.00 0.00 H new ATOM 0 HE1 TRP B 39 7.636 -8.399 -7.197 1.00 0.00 H new ATOM 0 HE3 TRP B 39 2.598 -8.810 -5.420 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 5.960 -6.188 -7.982 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 1.951 -6.679 -6.490 1.00 0.00 H new ATOM 0 HH2 TRP B 39 3.622 -5.351 -7.762 1.00 0.00 H new ATOM 1421 N SER B 40 5.246 -14.531 -3.728 1.00 0.00 N ATOM 1422 CA SER B 40 4.739 -15.586 -2.859 1.00 0.00 C ATOM 1423 C SER B 40 4.239 -14.986 -1.535 1.00 0.00 C ATOM 1424 O SER B 40 4.652 -13.878 -1.207 1.00 0.00 O ATOM 1425 CB SER B 40 5.872 -16.593 -2.623 1.00 0.00 C ATOM 1426 OG SER B 40 7.011 -15.944 -2.093 1.00 0.00 O ATOM 0 H SER B 40 6.235 -14.641 -3.954 1.00 0.00 H new ATOM 0 HA SER B 40 3.894 -16.094 -3.324 1.00 0.00 H new ATOM 0 HB2 SER B 40 5.538 -17.371 -1.937 1.00 0.00 H new ATOM 0 HB3 SER B 40 6.130 -17.085 -3.561 1.00 0.00 H new ATOM 0 HG SER B 40 7.803 -16.198 -2.611 1.00 0.00 H new ATOM 1432 N PRO B 41 3.365 -15.671 -0.769 1.00 0.00 N ATOM 1433 CA PRO B 41 2.829 -15.194 0.507 1.00 0.00 C ATOM 1434 C PRO B 41 3.868 -14.568 1.443 1.00 0.00 C ATOM 1435 O PRO B 41 3.566 -13.593 2.127 1.00 0.00 O ATOM 1436 CB PRO B 41 2.140 -16.403 1.137 1.00 0.00 C ATOM 1437 CG PRO B 41 1.617 -17.134 -0.095 1.00 0.00 C ATOM 1438 CD PRO B 41 2.757 -16.952 -1.098 1.00 0.00 C ATOM 0 HA PRO B 41 2.139 -14.369 0.330 1.00 0.00 H new ATOM 0 HB2 PRO B 41 2.833 -17.016 1.713 1.00 0.00 H new ATOM 0 HB3 PRO B 41 1.336 -16.111 1.812 1.00 0.00 H new ATOM 0 HG2 PRO B 41 1.422 -18.186 0.110 1.00 0.00 H new ATOM 0 HG3 PRO B 41 0.685 -16.702 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO B 41 3.482 -17.762 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO B 41 2.383 -16.957 -2.122 1.00 0.00 H new ATOM 1446 N LYS B 42 5.088 -15.121 1.469 1.00 0.00 N ATOM 1447 CA LYS B 42 6.189 -14.600 2.268 1.00 0.00 C ATOM 1448 C LYS B 42 6.626 -13.228 1.735 1.00 0.00 C ATOM 1449 O LYS B 42 6.832 -12.305 2.519 1.00 0.00 O ATOM 1450 CB LYS B 42 7.340 -15.618 2.338 1.00 0.00 C ATOM 1451 CG LYS B 42 7.857 -16.080 0.969 1.00 0.00 C ATOM 1452 CD LYS B 42 8.990 -17.098 1.131 1.00 0.00 C ATOM 1453 CE LYS B 42 9.482 -17.624 -0.223 1.00 0.00 C ATOM 1454 NZ LYS B 42 10.005 -16.548 -1.083 1.00 0.00 N ATOM 0 H LYS B 42 5.334 -15.950 0.928 1.00 0.00 H new ATOM 0 HA LYS B 42 5.855 -14.448 3.294 1.00 0.00 H new ATOM 0 HB2 LYS B 42 8.166 -15.177 2.896 1.00 0.00 H new ATOM 0 HB3 LYS B 42 7.005 -16.490 2.900 1.00 0.00 H new ATOM 0 HG2 LYS B 42 7.042 -16.524 0.398 1.00 0.00 H new ATOM 0 HG3 LYS B 42 8.213 -15.221 0.401 1.00 0.00 H new ATOM 0 HD2 LYS B 42 9.820 -16.636 1.665 1.00 0.00 H new ATOM 0 HD3 LYS B 42 8.644 -17.932 1.741 1.00 0.00 H new ATOM 0 HE2 LYS B 42 10.262 -18.368 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS B 42 8.662 -18.129 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 10.388 -16.958 -1.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 9.237 -15.887 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 10.760 -16.038 -0.581 1.00 0.00 H new ATOM 1468 N THR B 43 6.744 -13.089 0.408 1.00 0.00 N ATOM 1469 CA THR B 43 7.098 -11.861 -0.285 1.00 0.00 C ATOM 1470 C THR B 43 6.011 -10.792 -0.175 1.00 0.00 C ATOM 1471 O THR B 43 6.304 -9.612 -0.347 1.00 0.00 O ATOM 1472 CB THR B 43 7.536 -12.192 -1.712 1.00 0.00 C ATOM 1473 OG1 THR B 43 8.688 -12.989 -1.602 1.00 0.00 O ATOM 1474 CG2 THR B 43 7.840 -10.948 -2.554 1.00 0.00 C ATOM 0 H THR B 43 6.587 -13.868 -0.232 1.00 0.00 H new ATOM 0 HA THR B 43 7.953 -11.398 0.207 1.00 0.00 H new ATOM 0 HB THR B 43 6.723 -12.704 -2.226 1.00 0.00 H new ATOM 0 HG1 THR B 43 9.006 -13.229 -2.497 1.00 0.00 H new ATOM 0 HG21 THR B 43 8.145 -11.252 -3.555 1.00 0.00 H new ATOM 0 HG22 THR B 43 6.947 -10.326 -2.620 1.00 0.00 H new ATOM 0 HG23 THR B 43 8.644 -10.380 -2.087 1.00 0.00 H new ATOM 1482 N ILE B 44 4.761 -11.175 0.099 1.00 0.00 N ATOM 1483 CA ILE B 44 3.698 -10.201 0.280 1.00 0.00 C ATOM 1484 C ILE B 44 3.952 -9.359 1.532 1.00 0.00 C ATOM 1485 O ILE B 44 3.744 -8.147 1.519 1.00 0.00 O ATOM 1486 CB ILE B 44 2.339 -10.901 0.381 1.00 0.00 C ATOM 1487 CG1 ILE B 44 1.971 -11.709 -0.873 1.00 0.00 C ATOM 1488 CG2 ILE B 44 1.265 -9.860 0.697 1.00 0.00 C ATOM 1489 CD1 ILE B 44 1.971 -10.885 -2.158 1.00 0.00 C ATOM 0 H ILE B 44 4.468 -12.147 0.198 1.00 0.00 H new ATOM 0 HA ILE B 44 3.686 -9.542 -0.588 1.00 0.00 H new ATOM 0 HB ILE B 44 2.405 -11.632 1.187 1.00 0.00 H new ATOM 0 HG12 ILE B 44 2.675 -12.534 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE B 44 0.983 -12.148 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE B 44 0.294 -10.350 0.771 1.00 0.00 H new ATOM 0 HG22 ILE B 44 1.498 -9.372 1.644 1.00 0.00 H new ATOM 0 HG23 ILE B 44 1.236 -9.114 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.702 -11.523 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.247 -10.075 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE B 44 2.964 -10.467 -2.322 1.00 0.00 H new ATOM 1501 N GLN B 45 4.389 -10.019 2.609 1.00 0.00 N ATOM 1502 CA GLN B 45 4.655 -9.416 3.907 1.00 0.00 C ATOM 1503 C GLN B 45 5.530 -8.164 3.821 1.00 0.00 C ATOM 1504 O GLN B 45 5.183 -7.149 4.423 1.00 0.00 O ATOM 1505 CB GLN B 45 5.286 -10.445 4.850 1.00 0.00 C ATOM 1506 CG GLN B 45 4.356 -11.635 5.118 1.00 0.00 C ATOM 1507 CD GLN B 45 5.004 -12.672 6.035 1.00 0.00 C ATOM 1508 OE1 GLN B 45 6.216 -12.880 5.997 1.00 0.00 O ATOM 1509 NE2 GLN B 45 4.192 -13.337 6.860 1.00 0.00 N ATOM 0 H GLN B 45 4.572 -11.022 2.594 1.00 0.00 H new ATOM 0 HA GLN B 45 3.693 -9.095 4.306 1.00 0.00 H new ATOM 0 HB2 GLN B 45 6.219 -10.806 4.418 1.00 0.00 H new ATOM 0 HB3 GLN B 45 5.537 -9.963 5.795 1.00 0.00 H new ATOM 0 HG2 GLN B 45 3.431 -11.278 5.571 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.087 -12.105 4.172 1.00 0.00 H new ATOM 0 HE21 GLN B 45 3.192 -13.136 6.863 1.00 0.00 H new ATOM 0 HE22 GLN B 45 4.572 -14.046 7.488 1.00 0.00 H new ATOM 1518 N THR B 46 6.650 -8.220 3.083 1.00 0.00 N ATOM 1519 CA THR B 46 7.541 -7.073 2.972 1.00 0.00 C ATOM 1520 C THR B 46 6.925 -5.921 2.199 1.00 0.00 C ATOM 1521 O THR B 46 7.176 -4.786 2.581 1.00 0.00 O ATOM 1522 CB THR B 46 8.884 -7.402 2.302 1.00 0.00 C ATOM 1523 OG1 THR B 46 9.813 -6.392 2.641 1.00 0.00 O ATOM 1524 CG2 THR B 46 8.801 -7.496 0.770 1.00 0.00 C ATOM 0 H THR B 46 6.951 -9.043 2.562 1.00 0.00 H new ATOM 0 HA THR B 46 7.712 -6.784 4.009 1.00 0.00 H new ATOM 0 HB THR B 46 9.190 -8.383 2.665 1.00 0.00 H new ATOM 0 HG1 THR B 46 10.677 -6.588 2.222 1.00 0.00 H new ATOM 0 HG21 THR B 46 9.786 -7.731 0.366 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.098 -8.281 0.491 1.00 0.00 H new ATOM 0 HG23 THR B 46 8.461 -6.543 0.365 1.00 0.00 H new ATOM 1532 N MET B 47 6.144 -6.220 1.147 1.00 0.00 N ATOM 1533 CA MET B 47 5.576 -5.269 0.188 1.00 0.00 C ATOM 1534 C MET B 47 4.943 -4.033 0.814 1.00 0.00 C ATOM 1535 O MET B 47 4.887 -2.980 0.185 1.00 0.00 O ATOM 1536 CB MET B 47 4.596 -5.955 -0.760 1.00 0.00 C ATOM 1537 CG MET B 47 5.274 -7.123 -1.482 1.00 0.00 C ATOM 1538 SD MET B 47 4.427 -7.720 -2.962 1.00 0.00 S ATOM 1539 CE MET B 47 2.687 -7.496 -2.506 1.00 0.00 C ATOM 0 H MET B 47 5.881 -7.182 0.936 1.00 0.00 H new ATOM 0 HA MET B 47 6.431 -4.902 -0.379 1.00 0.00 H new ATOM 0 HB2 MET B 47 3.734 -6.317 -0.201 1.00 0.00 H new ATOM 0 HB3 MET B 47 4.224 -5.236 -1.490 1.00 0.00 H new ATOM 0 HG2 MET B 47 6.283 -6.819 -1.760 1.00 0.00 H new ATOM 0 HG3 MET B 47 5.373 -7.952 -0.782 1.00 0.00 H new ATOM 0 HE1 MET B 47 2.060 -8.113 -3.150 1.00 0.00 H new ATOM 0 HE2 MET B 47 2.542 -7.792 -1.467 1.00 0.00 H new ATOM 0 HE3 MET B 47 2.411 -6.448 -2.627 1.00 0.00 H new ATOM 1549 N LEU B 48 4.483 -4.179 2.052 1.00 0.00 N ATOM 1550 CA LEU B 48 3.876 -3.153 2.861 1.00 0.00 C ATOM 1551 C LEU B 48 4.984 -2.382 3.577 1.00 0.00 C ATOM 1552 O LEU B 48 5.089 -1.166 3.441 1.00 0.00 O ATOM 1553 CB LEU B 48 2.969 -3.885 3.849 1.00 0.00 C ATOM 1554 CG LEU B 48 1.868 -4.691 3.141 1.00 0.00 C ATOM 1555 CD1 LEU B 48 1.177 -5.594 4.166 1.00 0.00 C ATOM 1556 CD2 LEU B 48 0.913 -3.735 2.422 1.00 0.00 C ATOM 0 H LEU B 48 4.532 -5.075 2.538 1.00 0.00 H new ATOM 0 HA LEU B 48 3.297 -2.434 2.281 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.570 -4.556 4.463 1.00 0.00 H new ATOM 0 HB3 LEU B 48 2.510 -3.161 4.523 1.00 0.00 H new ATOM 0 HG LEU B 48 2.286 -5.341 2.373 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.394 -6.170 3.674 1.00 0.00 H new ATOM 0 HD12 LEU B 48 1.908 -6.274 4.603 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.736 -4.981 4.952 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.133 -4.308 1.921 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.458 -3.061 3.148 1.00 0.00 H new ATOM 0 HD23 LEU B 48 1.467 -3.154 1.685 1.00 0.00 H new ATOM 1568 N LEU B 49 5.817 -3.121 4.316 1.00 0.00 N ATOM 1569 CA LEU B 49 6.955 -2.649 5.090 1.00 0.00 C ATOM 1570 C LEU B 49 8.041 -1.990 4.220 1.00 0.00 C ATOM 1571 O LEU B 49 8.874 -1.270 4.770 1.00 0.00 O ATOM 1572 CB LEU B 49 7.506 -3.817 5.932 1.00 0.00 C ATOM 1573 CG LEU B 49 6.661 -4.233 7.163 1.00 0.00 C ATOM 1574 CD1 LEU B 49 7.110 -3.522 8.445 1.00 0.00 C ATOM 1575 CD2 LEU B 49 5.137 -4.088 7.002 1.00 0.00 C ATOM 0 H LEU B 49 5.701 -4.132 4.390 1.00 0.00 H new ATOM 0 HA LEU B 49 6.615 -1.857 5.757 1.00 0.00 H new ATOM 0 HB2 LEU B 49 7.615 -4.686 5.283 1.00 0.00 H new ATOM 0 HB3 LEU B 49 8.505 -3.549 6.277 1.00 0.00 H new ATOM 0 HG LEU B 49 6.858 -5.302 7.244 1.00 0.00 H new ATOM 0 HD11 LEU B 49 6.487 -3.847 9.279 1.00 0.00 H new ATOM 0 HD12 LEU B 49 8.151 -3.769 8.652 1.00 0.00 H new ATOM 0 HD13 LEU B 49 7.011 -2.444 8.317 1.00 0.00 H new ATOM 0 HD21 LEU B 49 4.642 -4.406 7.920 1.00 0.00 H new ATOM 0 HD22 LEU B 49 4.890 -3.046 6.799 1.00 0.00 H new ATOM 0 HD23 LEU B 49 4.798 -4.710 6.173 1.00 0.00 H new ATOM 1587 N ARG B 50 8.055 -2.218 2.891 1.00 0.00 N ATOM 1588 CA ARG B 50 9.014 -1.602 1.970 1.00 0.00 C ATOM 1589 C ARG B 50 8.935 -0.094 2.130 1.00 0.00 C ATOM 1590 O ARG B 50 9.914 0.555 2.498 1.00 0.00 O ATOM 1591 CB ARG B 50 8.713 -1.937 0.508 1.00 0.00 C ATOM 1592 CG ARG B 50 8.753 -3.433 0.249 1.00 0.00 C ATOM 1593 CD ARG B 50 8.839 -3.727 -1.242 1.00 0.00 C ATOM 1594 NE ARG B 50 7.633 -3.273 -1.949 1.00 0.00 N ATOM 1595 CZ ARG B 50 7.234 -3.676 -3.167 1.00 0.00 C ATOM 1596 NH1 ARG B 50 7.967 -4.531 -3.895 1.00 0.00 N ATOM 1597 NH2 ARG B 50 6.081 -3.208 -3.662 1.00 0.00 N ATOM 0 H ARG B 50 7.393 -2.841 2.429 1.00 0.00 H new ATOM 0 HA ARG B 50 10.003 -1.989 2.213 1.00 0.00 H new ATOM 0 HB2 ARG B 50 7.730 -1.549 0.242 1.00 0.00 H new ATOM 0 HB3 ARG B 50 9.438 -1.438 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.611 -3.871 0.760 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.861 -3.902 0.665 1.00 0.00 H new ATOM 0 HD2 ARG B 50 9.716 -3.234 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.971 -4.798 -1.396 1.00 0.00 H new ATOM 0 HE ARG B 50 7.045 -2.590 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG B 50 8.848 -4.890 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG B 50 7.644 -4.823 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG B 50 5.519 -2.555 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG B 50 5.765 -3.505 -4.585 1.00 0.00 H new ATOM 1611 N LEU B 51 7.739 0.435 1.851 1.00 0.00 N ATOM 1612 CA LEU B 51 7.381 1.815 1.961 1.00 0.00 C ATOM 1613 C LEU B 51 7.762 2.375 3.324 1.00 0.00 C ATOM 1614 O LEU B 51 8.496 3.354 3.379 1.00 0.00 O ATOM 1615 CB LEU B 51 5.878 1.865 1.745 1.00 0.00 C ATOM 1616 CG LEU B 51 5.462 1.514 0.308 1.00 0.00 C ATOM 1617 CD1 LEU B 51 6.438 1.859 -0.817 1.00 0.00 C ATOM 1618 CD2 LEU B 51 4.912 0.102 0.092 1.00 0.00 C ATOM 0 H LEU B 51 6.963 -0.141 1.524 1.00 0.00 H new ATOM 0 HA LEU B 51 7.910 2.426 1.229 1.00 0.00 H new ATOM 0 HB2 LEU B 51 5.395 1.174 2.436 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.515 2.864 1.988 1.00 0.00 H new ATOM 0 HG LEU B 51 4.635 2.219 0.220 1.00 0.00 H new ATOM 0 HD11 LEU B 51 6.013 1.555 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU B 51 6.618 2.934 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.380 1.335 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU B 51 4.652 -0.031 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU B 51 5.669 -0.630 0.374 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.023 -0.040 0.706 1.00 0.00 H new ATOM 1630 N ILE B 52 7.298 1.723 4.399 1.00 0.00 N ATOM 1631 CA ILE B 52 7.515 2.110 5.790 1.00 0.00 C ATOM 1632 C ILE B 52 8.981 2.425 6.102 1.00 0.00 C ATOM 1633 O ILE B 52 9.240 3.335 6.889 1.00 0.00 O ATOM 1634 CB ILE B 52 6.925 1.055 6.753 1.00 0.00 C ATOM 1635 CG1 ILE B 52 5.457 0.759 6.396 1.00 0.00 C ATOM 1636 CG2 ILE B 52 7.035 1.525 8.214 1.00 0.00 C ATOM 1637 CD1 ILE B 52 4.736 -0.161 7.376 1.00 0.00 C ATOM 0 H ILE B 52 6.737 0.875 4.313 1.00 0.00 H new ATOM 0 HA ILE B 52 6.977 3.045 5.949 1.00 0.00 H new ATOM 0 HB ILE B 52 7.502 0.137 6.644 1.00 0.00 H new ATOM 0 HG12 ILE B 52 4.914 1.702 6.338 1.00 0.00 H new ATOM 0 HG13 ILE B 52 5.422 0.309 5.404 1.00 0.00 H new ATOM 0 HG21 ILE B 52 6.613 0.766 8.873 1.00 0.00 H new ATOM 0 HG22 ILE B 52 8.083 1.684 8.467 1.00 0.00 H new ATOM 0 HG23 ILE B 52 6.486 2.459 8.338 1.00 0.00 H new ATOM 0 HD11 ILE B 52 3.709 -0.313 7.044 1.00 0.00 H new ATOM 0 HD12 ILE B 52 5.250 -1.122 7.418 1.00 0.00 H new ATOM 0 HD13 ILE B 52 4.734 0.293 8.367 1.00 0.00 H new ATOM 1649 N LYS B 53 9.931 1.705 5.488 1.00 0.00 N ATOM 1650 CA LYS B 53 11.353 1.930 5.709 1.00 0.00 C ATOM 1651 C LYS B 53 11.733 3.389 5.427 1.00 0.00 C ATOM 1652 O LYS B 53 12.419 4.002 6.244 1.00 0.00 O ATOM 1653 CB LYS B 53 12.189 0.918 4.915 1.00 0.00 C ATOM 1654 CG LYS B 53 13.672 1.029 5.292 1.00 0.00 C ATOM 1655 CD LYS B 53 14.439 -0.238 4.896 1.00 0.00 C ATOM 1656 CE LYS B 53 15.920 -0.137 5.274 1.00 0.00 C ATOM 1657 NZ LYS B 53 16.625 0.879 4.473 1.00 0.00 N ATOM 0 H LYS B 53 9.729 0.954 4.828 1.00 0.00 H new ATOM 0 HA LYS B 53 11.580 1.761 6.762 1.00 0.00 H new ATOM 0 HB2 LYS B 53 11.832 -0.093 5.114 1.00 0.00 H new ATOM 0 HB3 LYS B 53 12.066 1.095 3.847 1.00 0.00 H new ATOM 0 HG2 LYS B 53 14.113 1.894 4.796 1.00 0.00 H new ATOM 0 HG3 LYS B 53 13.766 1.194 6.365 1.00 0.00 H new ATOM 0 HD2 LYS B 53 13.995 -1.103 5.389 1.00 0.00 H new ATOM 0 HD3 LYS B 53 14.346 -0.400 3.822 1.00 0.00 H new ATOM 0 HE2 LYS B 53 16.008 0.110 6.332 1.00 0.00 H new ATOM 0 HE3 LYS B 53 16.398 -1.106 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 17.646 0.823 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 16.450 0.707 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 16.277 1.825 4.729 1.00 0.00 H new ATOM 1671 N LYS B 54 11.268 3.951 4.300 1.00 0.00 N ATOM 1672 CA LYS B 54 11.492 5.352 3.947 1.00 0.00 C ATOM 1673 C LYS B 54 10.328 6.225 4.441 1.00 0.00 C ATOM 1674 O LYS B 54 10.487 7.436 4.581 1.00 0.00 O ATOM 1675 CB LYS B 54 11.631 5.468 2.422 1.00 0.00 C ATOM 1676 CG LYS B 54 11.976 6.881 1.919 1.00 0.00 C ATOM 1677 CD LYS B 54 13.294 7.457 2.456 1.00 0.00 C ATOM 1678 CE LYS B 54 14.497 6.571 2.115 1.00 0.00 C ATOM 1679 NZ LYS B 54 15.764 7.211 2.503 1.00 0.00 N ATOM 0 H LYS B 54 10.723 3.438 3.607 1.00 0.00 H new ATOM 0 HA LYS B 54 12.406 5.703 4.426 1.00 0.00 H new ATOM 0 HB2 LYS B 54 12.405 4.778 2.087 1.00 0.00 H new ATOM 0 HB3 LYS B 54 10.697 5.149 1.959 1.00 0.00 H new ATOM 0 HG2 LYS B 54 12.022 6.861 0.830 1.00 0.00 H new ATOM 0 HG3 LYS B 54 11.164 7.556 2.191 1.00 0.00 H new ATOM 0 HD2 LYS B 54 13.449 8.453 2.040 1.00 0.00 H new ATOM 0 HD3 LYS B 54 13.224 7.571 3.538 1.00 0.00 H new ATOM 0 HE2 LYS B 54 14.401 5.613 2.625 1.00 0.00 H new ATOM 0 HE3 LYS B 54 14.506 6.363 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 16.558 6.585 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 15.866 8.114 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 15.765 7.387 3.528 1.00 0.00 H new ATOM 1693 N GLY B 55 9.181 5.604 4.749 1.00 0.00 N ATOM 1694 CA GLY B 55 7.976 6.242 5.242 1.00 0.00 C ATOM 1695 C GLY B 55 6.875 6.417 4.193 1.00 0.00 C ATOM 1696 O GLY B 55 5.999 7.250 4.422 1.00 0.00 O ATOM 0 H GLY B 55 9.074 4.594 4.653 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.581 5.653 6.070 1.00 0.00 H new ATOM 0 HA3 GLY B 55 8.237 7.221 5.643 1.00 0.00 H new ATOM 1700 N ALA B 56 6.867 5.670 3.070 1.00 0.00 N ATOM 1701 CA ALA B 56 5.783 5.814 2.098 1.00 0.00 C ATOM 1702 C ALA B 56 4.444 5.233 2.598 1.00 0.00 C ATOM 1703 O ALA B 56 3.431 5.427 1.930 1.00 0.00 O ATOM 1704 CB ALA B 56 6.212 5.250 0.744 1.00 0.00 C ATOM 0 H ALA B 56 7.580 4.983 2.825 1.00 0.00 H new ATOM 0 HA ALA B 56 5.589 6.879 1.969 1.00 0.00 H new ATOM 0 HB1 ALA B 56 5.398 5.362 0.028 1.00 0.00 H new ATOM 0 HB2 ALA B 56 7.088 5.791 0.385 1.00 0.00 H new ATOM 0 HB3 ALA B 56 6.457 4.193 0.851 1.00 0.00 H new ATOM 1710 N LEU B 57 4.433 4.538 3.750 1.00 0.00 N ATOM 1711 CA LEU B 57 3.282 3.976 4.450 1.00 0.00 C ATOM 1712 C LEU B 57 3.636 3.952 5.947 1.00 0.00 C ATOM 1713 O LEU B 57 4.795 4.160 6.304 1.00 0.00 O ATOM 1714 CB LEU B 57 2.993 2.536 4.001 1.00 0.00 C ATOM 1715 CG LEU B 57 2.437 2.331 2.582 1.00 0.00 C ATOM 1716 CD1 LEU B 57 2.063 0.858 2.404 1.00 0.00 C ATOM 1717 CD2 LEU B 57 1.174 3.136 2.292 1.00 0.00 C ATOM 0 H LEU B 57 5.302 4.344 4.248 1.00 0.00 H new ATOM 0 HA LEU B 57 2.400 4.580 4.236 1.00 0.00 H new ATOM 0 HB2 LEU B 57 3.918 1.966 4.085 1.00 0.00 H new ATOM 0 HB3 LEU B 57 2.285 2.100 4.706 1.00 0.00 H new ATOM 0 HG LEU B 57 3.221 2.664 1.902 1.00 0.00 H new ATOM 0 HD11 LEU B 57 1.667 0.702 1.400 1.00 0.00 H new ATOM 0 HD12 LEU B 57 2.948 0.238 2.546 1.00 0.00 H new ATOM 0 HD13 LEU B 57 1.306 0.583 3.139 1.00 0.00 H new ATOM 0 HD21 LEU B 57 0.843 2.939 1.273 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.389 2.846 2.991 1.00 0.00 H new ATOM 0 HD23 LEU B 57 1.386 4.199 2.405 1.00 0.00 H new ATOM 1729 N ASN B 58 2.644 3.778 6.834 1.00 0.00 N ATOM 1730 CA ASN B 58 2.867 3.652 8.276 1.00 0.00 C ATOM 1731 C ASN B 58 1.906 2.619 8.878 1.00 0.00 C ATOM 1732 O ASN B 58 0.702 2.821 8.744 1.00 0.00 O ATOM 1733 CB ASN B 58 2.732 5.038 8.924 1.00 0.00 C ATOM 1734 CG ASN B 58 3.138 5.078 10.399 1.00 0.00 C ATOM 1735 OD1 ASN B 58 3.437 4.055 11.012 1.00 0.00 O ATOM 1736 ND2 ASN B 58 3.152 6.283 10.975 1.00 0.00 N ATOM 0 H ASN B 58 1.661 3.721 6.566 1.00 0.00 H new ATOM 0 HA ASN B 58 3.874 3.286 8.474 1.00 0.00 H new ATOM 0 HB2 ASN B 58 3.345 5.748 8.370 1.00 0.00 H new ATOM 0 HB3 ASN B 58 1.698 5.371 8.833 1.00 0.00 H new ATOM 0 HD21 ASN B 58 3.417 6.377 11.955 1.00 0.00 H new ATOM 0 HD22 ASN B 58 2.898 7.110 10.434 1.00 0.00 H new ATOM 1743 N HIS B 59 2.376 1.569 9.585 1.00 0.00 N ATOM 1744 CA HIS B 59 1.460 0.603 10.186 1.00 0.00 C ATOM 1745 C HIS B 59 1.135 0.954 11.633 1.00 0.00 C ATOM 1746 O HIS B 59 1.924 1.591 12.330 1.00 0.00 O ATOM 1747 CB HIS B 59 1.930 -0.842 10.029 1.00 0.00 C ATOM 1748 CG HIS B 59 3.268 -1.196 10.627 1.00 0.00 C ATOM 1749 ND1 HIS B 59 3.627 -0.843 11.928 1.00 0.00 N ATOM 1750 CD2 HIS B 59 4.264 -1.961 10.086 1.00 0.00 C ATOM 1751 CE1 HIS B 59 4.834 -1.385 12.108 1.00 0.00 C ATOM 1752 NE2 HIS B 59 5.263 -2.064 11.032 1.00 0.00 N ATOM 0 H HIS B 59 3.365 1.379 9.746 1.00 0.00 H new ATOM 0 HA HIS B 59 0.529 0.673 9.624 1.00 0.00 H new ATOM 0 HB2 HIS B 59 1.177 -1.493 10.474 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.963 -1.074 8.964 1.00 0.00 H new ATOM 0 HD2 HIS B 59 4.268 -2.403 9.101 1.00 0.00 H new ATOM 0 HE1 HIS B 59 5.404 -1.288 13.020 1.00 0.00 H new ATOM 0 HE2 HIS B 59 6.150 -2.557 10.934 1.00 0.00 H new ATOM 1760 N HIS B 60 -0.085 0.580 12.032 1.00 0.00 N ATOM 1761 CA HIS B 60 -0.652 0.835 13.350 1.00 0.00 C ATOM 1762 C HIS B 60 -1.567 -0.322 13.715 1.00 0.00 C ATOM 1763 O HIS B 60 -2.292 -0.775 12.834 1.00 0.00 O ATOM 1764 CB HIS B 60 -1.463 2.138 13.330 1.00 0.00 C ATOM 1765 CG HIS B 60 -0.701 3.341 12.836 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -0.884 3.836 11.545 1.00 0.00 N ATOM 1767 CD2 HIS B 60 0.230 4.111 13.481 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -0.068 4.890 11.466 1.00 0.00 C ATOM 1769 NE2 HIS B 60 0.623 5.096 12.599 1.00 0.00 N ATOM 0 H HIS B 60 -0.724 0.073 11.420 1.00 0.00 H new ATOM 0 HA HIS B 60 0.150 0.930 14.082 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -2.340 1.995 12.699 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -1.825 2.342 14.338 1.00 0.00 H new ATOM 0 HD2 HIS B 60 0.589 3.973 14.490 1.00 0.00 H new ATOM 0 HE1 HIS B 60 0.026 5.510 10.586 1.00 0.00 H new ATOM 0 HE2 HIS B 60 1.304 5.835 12.773 1.00 0.00 H new ATOM 1777 N LYS B 61 -1.633 -0.718 14.996 1.00 0.00 N ATOM 1778 CA LYS B 61 -2.479 -1.825 15.424 1.00 0.00 C ATOM 1779 C LYS B 61 -3.888 -1.277 15.620 1.00 0.00 C ATOM 1780 O LYS B 61 -4.205 -0.691 16.654 1.00 0.00 O ATOM 1781 CB LYS B 61 -1.933 -2.464 16.708 1.00 0.00 C ATOM 1782 CG LYS B 61 -2.845 -3.616 17.159 1.00 0.00 C ATOM 1783 CD LYS B 61 -2.247 -4.358 18.358 1.00 0.00 C ATOM 1784 CE LYS B 61 -3.253 -5.341 18.969 1.00 0.00 C ATOM 1785 NZ LYS B 61 -3.736 -6.330 17.991 1.00 0.00 N ATOM 0 H LYS B 61 -1.105 -0.280 15.751 1.00 0.00 H new ATOM 0 HA LYS B 61 -2.492 -2.613 14.671 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -0.923 -2.836 16.536 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -1.866 -1.714 17.496 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -3.827 -3.224 17.423 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -2.992 -4.312 16.333 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -1.354 -4.898 18.044 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -1.935 -3.638 19.114 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -2.787 -5.860 19.807 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -4.101 -4.786 19.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -3.712 -7.279 18.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -4.712 -6.098 17.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -3.126 -6.312 17.149 1.00 0.00 H new ATOM 1799 N GLU B 62 -4.720 -1.476 14.588 1.00 0.00 N ATOM 1800 CA GLU B 62 -6.098 -1.026 14.552 1.00 0.00 C ATOM 1801 C GLU B 62 -6.979 -2.096 15.193 1.00 0.00 C ATOM 1802 O GLU B 62 -7.626 -2.882 14.501 1.00 0.00 O ATOM 1803 CB GLU B 62 -6.486 -0.704 13.098 1.00 0.00 C ATOM 1804 CG GLU B 62 -7.909 -0.144 12.948 1.00 0.00 C ATOM 1805 CD GLU B 62 -8.131 1.113 13.785 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -7.629 2.177 13.360 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -8.795 0.989 14.838 1.00 0.00 O ATOM 0 H GLU B 62 -4.436 -1.967 13.740 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.237 -0.109 15.124 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -5.777 0.018 12.693 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -6.396 -1.610 12.498 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -8.098 0.083 11.899 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -8.630 -0.906 13.244 1.00 0.00 H new ATOM 1814 N GLY B 63 -6.984 -2.108 16.531 1.00 0.00 N ATOM 1815 CA GLY B 63 -7.759 -3.019 17.356 1.00 0.00 C ATOM 1816 C GLY B 63 -7.430 -4.485 17.088 1.00 0.00 C ATOM 1817 O GLY B 63 -6.572 -5.061 17.755 1.00 0.00 O ATOM 0 H GLY B 63 -6.425 -1.456 17.082 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -7.575 -2.796 18.407 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -8.821 -2.851 17.176 1.00 0.00 H new ATOM 1821 N ARG B 64 -8.134 -5.081 16.117 1.00 0.00 N ATOM 1822 CA ARG B 64 -7.986 -6.478 15.740 1.00 0.00 C ATOM 1823 C ARG B 64 -6.619 -6.736 15.100 1.00 0.00 C ATOM 1824 O ARG B 64 -5.833 -7.507 15.648 1.00 0.00 O ATOM 1825 CB ARG B 64 -9.157 -6.905 14.854 1.00 0.00 C ATOM 1826 CG ARG B 64 -9.535 -8.365 15.126 1.00 0.00 C ATOM 1827 CD ARG B 64 -8.513 -9.385 14.614 1.00 0.00 C ATOM 1828 NE ARG B 64 -9.065 -10.746 14.661 1.00 0.00 N ATOM 1829 CZ ARG B 64 -8.359 -11.879 14.499 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -7.036 -11.851 14.285 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -8.989 -13.060 14.553 1.00 0.00 N ATOM 0 H ARG B 64 -8.835 -4.588 15.564 1.00 0.00 H new ATOM 0 HA ARG B 64 -8.017 -7.100 16.635 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -10.016 -6.260 15.041 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -8.890 -6.782 13.804 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -9.661 -8.502 16.200 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -10.500 -8.571 14.663 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -8.228 -9.139 13.591 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -7.607 -9.334 15.219 1.00 0.00 H new ATOM 0 HE ARG B 64 -10.067 -10.839 14.831 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -6.545 -10.958 14.242 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -6.520 -12.723 14.165 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -9.995 -13.094 14.716 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -8.462 -13.925 14.431 1.00 0.00 H new ATOM 1845 N VAL B 65 -6.336 -6.083 13.962 1.00 0.00 N ATOM 1846 CA VAL B 65 -5.089 -6.240 13.223 1.00 0.00 C ATOM 1847 C VAL B 65 -4.486 -4.901 12.819 1.00 0.00 C ATOM 1848 O VAL B 65 -5.177 -3.887 12.741 1.00 0.00 O ATOM 1849 CB VAL B 65 -5.298 -7.177 12.019 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -6.543 -6.849 11.180 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -4.113 -7.236 11.049 1.00 0.00 C ATOM 0 H VAL B 65 -6.982 -5.423 13.529 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.359 -6.704 13.886 1.00 0.00 H new ATOM 0 HB VAL B 65 -5.420 -8.143 12.509 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -6.620 -7.553 10.352 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -7.433 -6.925 11.805 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.461 -5.835 10.788 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -4.345 -7.919 10.232 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -3.922 -6.241 10.647 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -3.228 -7.590 11.577 1.00 0.00 H new ATOM 1861 N PHE B 66 -3.173 -4.943 12.558 1.00 0.00 N ATOM 1862 CA PHE B 66 -2.361 -3.823 12.150 1.00 0.00 C ATOM 1863 C PHE B 66 -2.522 -3.625 10.660 1.00 0.00 C ATOM 1864 O PHE B 66 -2.520 -4.568 9.875 1.00 0.00 O ATOM 1865 CB PHE B 66 -0.898 -3.884 12.629 1.00 0.00 C ATOM 1866 CG PHE B 66 0.101 -4.685 11.806 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -0.226 -5.947 11.279 1.00 0.00 C ATOM 1868 CD2 PHE B 66 1.397 -4.172 11.606 1.00 0.00 C ATOM 1869 CE1 PHE B 66 0.697 -6.646 10.484 1.00 0.00 C ATOM 1870 CE2 PHE B 66 2.329 -4.879 10.826 1.00 0.00 C ATOM 1871 CZ PHE B 66 1.965 -6.100 10.234 1.00 0.00 C ATOM 0 H PHE B 66 -2.636 -5.807 12.634 1.00 0.00 H new ATOM 0 HA PHE B 66 -2.726 -2.931 12.660 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -0.528 -2.861 12.696 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -0.897 -4.291 13.640 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -1.193 -6.381 11.487 1.00 0.00 H new ATOM 0 HD2 PHE B 66 1.677 -3.230 12.054 1.00 0.00 H new ATOM 0 HE1 PHE B 66 0.430 -7.605 10.065 1.00 0.00 H new ATOM 0 HE2 PHE B 66 3.324 -4.484 10.682 1.00 0.00 H new ATOM 0 HZ PHE B 66 2.659 -6.617 9.588 1.00 0.00 H new ATOM 1881 N VAL B 67 -2.717 -2.364 10.306 1.00 0.00 N ATOM 1882 CA VAL B 67 -3.025 -1.918 8.977 1.00 0.00 C ATOM 1883 C VAL B 67 -2.016 -0.854 8.572 1.00 0.00 C ATOM 1884 O VAL B 67 -1.751 0.064 9.344 1.00 0.00 O ATOM 1885 CB VAL B 67 -4.469 -1.402 9.029 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -4.855 -0.591 7.796 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -5.418 -2.602 9.176 1.00 0.00 C ATOM 0 H VAL B 67 -2.660 -1.597 10.976 1.00 0.00 H new ATOM 0 HA VAL B 67 -2.956 -2.704 8.225 1.00 0.00 H new ATOM 0 HB VAL B 67 -4.550 -0.731 9.884 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -5.887 -0.253 7.891 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -4.197 0.274 7.709 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -4.757 -1.213 6.906 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -6.448 -2.248 9.214 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -5.295 -3.270 8.323 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -5.185 -3.140 10.095 1.00 0.00 H new ATOM 1897 N TYR B 68 -1.584 -0.920 7.311 1.00 0.00 N ATOM 1898 CA TYR B 68 -0.590 -0.024 6.730 1.00 0.00 C ATOM 1899 C TYR B 68 -1.425 1.078 6.076 1.00 0.00 C ATOM 1900 O TYR B 68 -2.267 0.821 5.216 1.00 0.00 O ATOM 1901 CB TYR B 68 0.208 -0.784 5.636 1.00 0.00 C ATOM 1902 CG TYR B 68 0.301 -2.284 5.858 1.00 0.00 C ATOM 1903 CD1 TYR B 68 1.129 -2.763 6.886 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -0.741 -3.106 5.380 1.00 0.00 C ATOM 1905 CE1 TYR B 68 0.752 -3.900 7.614 1.00 0.00 C ATOM 1906 CE2 TYR B 68 -1.116 -4.249 6.103 1.00 0.00 C ATOM 1907 CZ TYR B 68 -0.417 -4.596 7.271 1.00 0.00 C ATOM 1908 OH TYR B 68 -0.841 -5.632 8.047 1.00 0.00 O ATOM 0 H TYR B 68 -1.927 -1.618 6.651 1.00 0.00 H new ATOM 0 HA TYR B 68 0.122 0.358 7.462 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -0.259 -0.600 4.668 1.00 0.00 H new ATOM 0 HB3 TYR B 68 1.216 -0.373 5.587 1.00 0.00 H new ATOM 0 HD1 TYR B 68 2.055 -2.256 7.115 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -1.249 -2.856 4.460 1.00 0.00 H new ATOM 0 HE1 TYR B 68 1.361 -4.240 8.438 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -1.939 -4.860 5.763 1.00 0.00 H new ATOM 0 HH TYR B 68 -0.311 -5.662 8.871 1.00 0.00 H new ATOM 1918 N THR B 69 -1.187 2.314 6.540 1.00 0.00 N ATOM 1919 CA THR B 69 -1.937 3.504 6.169 1.00 0.00 C ATOM 1920 C THR B 69 -1.255 4.287 5.044 1.00 0.00 C ATOM 1921 O THR B 69 -0.074 4.607 5.172 1.00 0.00 O ATOM 1922 CB THR B 69 -2.150 4.403 7.401 1.00 0.00 C ATOM 1923 OG1 THR B 69 -0.940 4.981 7.843 1.00 0.00 O ATOM 1924 CG2 THR B 69 -2.802 3.640 8.561 1.00 0.00 C ATOM 0 H THR B 69 -0.440 2.510 7.206 1.00 0.00 H new ATOM 0 HA THR B 69 -2.906 3.177 5.792 1.00 0.00 H new ATOM 0 HB THR B 69 -2.825 5.198 7.082 1.00 0.00 H new ATOM 0 HG1 THR B 69 -0.340 4.277 8.165 1.00 0.00 H new ATOM 0 HG21 THR B 69 -2.934 4.311 9.410 1.00 0.00 H new ATOM 0 HG22 THR B 69 -3.773 3.259 8.245 1.00 0.00 H new ATOM 0 HG23 THR B 69 -2.163 2.807 8.854 1.00 0.00 H new ATOM 1932 N PRO B 70 -1.975 4.611 3.953 1.00 0.00 N ATOM 1933 CA PRO B 70 -1.452 5.389 2.841 1.00 0.00 C ATOM 1934 C PRO B 70 -0.901 6.758 3.271 1.00 0.00 C ATOM 1935 O PRO B 70 -1.659 7.714 3.420 1.00 0.00 O ATOM 1936 CB PRO B 70 -2.601 5.494 1.830 1.00 0.00 C ATOM 1937 CG PRO B 70 -3.407 4.225 2.091 1.00 0.00 C ATOM 1938 CD PRO B 70 -3.277 4.059 3.602 1.00 0.00 C ATOM 0 HA PRO B 70 -0.586 4.899 2.396 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -3.199 6.391 1.990 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -2.234 5.535 0.805 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -4.447 4.333 1.782 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -3.002 3.369 1.552 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -4.077 4.584 4.123 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -3.346 3.009 3.887 1.00 0.00 H new ATOM 1946 N ASN B 71 0.425 6.845 3.475 1.00 0.00 N ATOM 1947 CA ASN B 71 1.118 8.081 3.841 1.00 0.00 C ATOM 1948 C ASN B 71 0.989 9.099 2.702 1.00 0.00 C ATOM 1949 O ASN B 71 0.883 10.299 2.949 1.00 0.00 O ATOM 1950 CB ASN B 71 2.594 7.785 4.140 1.00 0.00 C ATOM 1951 CG ASN B 71 3.338 8.991 4.710 1.00 0.00 C ATOM 1952 OD1 ASN B 71 3.445 9.141 5.925 1.00 0.00 O ATOM 1953 ND2 ASN B 71 3.869 9.846 3.831 1.00 0.00 N ATOM 0 H ASN B 71 1.050 6.044 3.388 1.00 0.00 H new ATOM 0 HA ASN B 71 0.664 8.501 4.738 1.00 0.00 H new ATOM 0 HB2 ASN B 71 2.658 6.958 4.847 1.00 0.00 H new ATOM 0 HB3 ASN B 71 3.087 7.460 3.224 1.00 0.00 H new ATOM 0 HD21 ASN B 71 4.387 10.661 4.161 1.00 0.00 H new ATOM 0 HD22 ASN B 71 3.757 9.684 2.830 1.00 0.00 H new ATOM 1960 N ILE B 72 0.973 8.591 1.463 1.00 0.00 N ATOM 1961 CA ILE B 72 0.824 9.334 0.221 1.00 0.00 C ATOM 1962 C ILE B 72 -0.540 8.943 -0.360 1.00 0.00 C ATOM 1963 O ILE B 72 -1.075 7.890 -0.013 1.00 0.00 O ATOM 1964 CB ILE B 72 2.013 9.041 -0.721 1.00 0.00 C ATOM 1965 CG1 ILE B 72 2.094 7.558 -1.132 1.00 0.00 C ATOM 1966 CG2 ILE B 72 3.324 9.504 -0.064 1.00 0.00 C ATOM 1967 CD1 ILE B 72 3.387 7.206 -1.873 1.00 0.00 C ATOM 0 H ILE B 72 1.070 7.589 1.299 1.00 0.00 H new ATOM 0 HA ILE B 72 0.844 10.413 0.373 1.00 0.00 H new ATOM 0 HB ILE B 72 1.851 9.604 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE B 72 2.013 6.936 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE B 72 1.242 7.317 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE B 72 4.159 9.295 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE B 72 3.275 10.575 0.131 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.469 8.970 0.875 1.00 0.00 H new ATOM 0 HD11 ILE B 72 3.380 6.148 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE B 72 3.460 7.803 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE B 72 4.243 7.416 -1.231 1.00 0.00 H new