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 58 ASN : amide:sc= 0.102 X(o=0.15,f=-0.0012) USER MOD Set 1.2: B 69 THR OG1 : rot 67:sc= 0.0489 USER MOD Set 2.1: B 40 SER OG : rot -50:sc= 0.759 USER MOD Set 2.2: B 43 THR OG1 : rot -160:sc= 0.718 USER MOD Set 3.1: B 36 THR OG1 : rot 180:sc= 0.0345 USER MOD Set 3.2: B 37 SER OG : rot 176:sc= 0.702 USER MOD Set 4.1: B 26 THR OG1 : rot -91:sc= -0.335 USER MOD Set 4.2: B 68 TYR OH : rot 30:sc= 0.193 USER MOD Set 5.1: B 21 HIS : no HD1:sc= -0.811 K(o=-0.7,f=-6.4!) USER MOD Set 5.2: B 22 SER OG : rot 180:sc= 0.109 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 15 MET CE :methyl -141:sc= -0.0974 (180deg=-1.76) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -169:sc=-0.00161 (180deg=-0.12) USER MOD Single : B 23 SER OG : rot 150:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.2) USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 86:sc= 0.749 USER MOD Single : B 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0178) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 GLN : amide:sc=-0.00174 K(o=-0.0017,f=-1.2) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 160:sc= -0.0837 (180deg=-0.527) USER MOD Single : B 53 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.134) USER MOD Single : B 54 LYS NZ :NH3+ -170:sc= -0.176 (180deg=-0.266) USER MOD Single : B 59 HIS : no HE2:sc= -0.177 K(o=-0.18,f=-2.5) USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.025) USER MOD Single : B 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 851 N PRO B 5 7.219 9.451 -1.050 1.00 0.00 N ATOM 852 CA PRO B 5 7.726 8.096 -1.230 1.00 0.00 C ATOM 853 C PRO B 5 7.976 7.745 -2.697 1.00 0.00 C ATOM 854 O PRO B 5 7.253 8.204 -3.581 1.00 0.00 O ATOM 855 CB PRO B 5 6.674 7.167 -0.618 1.00 0.00 C ATOM 856 CG PRO B 5 5.985 8.051 0.415 1.00 0.00 C ATOM 857 CD PRO B 5 6.012 9.430 -0.240 1.00 0.00 C ATOM 0 HA PRO B 5 8.696 7.992 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO B 5 5.972 6.804 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO B 5 7.130 6.291 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO B 5 4.966 7.719 0.615 1.00 0.00 H new ATOM 0 HG3 PRO B 5 6.515 8.046 1.368 1.00 0.00 H new ATOM 0 HD2 PRO B 5 5.125 9.591 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO B 5 6.029 10.221 0.510 1.00 0.00 H new ATOM 865 N GLN B 6 9.005 6.925 -2.941 1.00 0.00 N ATOM 866 CA GLN B 6 9.391 6.481 -4.269 1.00 0.00 C ATOM 867 C GLN B 6 8.499 5.310 -4.684 1.00 0.00 C ATOM 868 O GLN B 6 8.803 4.157 -4.388 1.00 0.00 O ATOM 869 CB GLN B 6 10.883 6.116 -4.268 1.00 0.00 C ATOM 870 CG GLN B 6 11.376 5.690 -5.657 1.00 0.00 C ATOM 871 CD GLN B 6 12.853 5.306 -5.621 1.00 0.00 C ATOM 872 OE1 GLN B 6 13.707 6.072 -6.065 1.00 0.00 O ATOM 873 NE2 GLN B 6 13.156 4.115 -5.098 1.00 0.00 N ATOM 0 H GLN B 6 9.598 6.549 -2.201 1.00 0.00 H new ATOM 0 HA GLN B 6 9.252 7.276 -5.002 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.464 6.972 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN B 6 11.057 5.307 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN B 6 10.786 4.845 -6.013 1.00 0.00 H new ATOM 0 HG3 GLN B 6 11.226 6.505 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN B 6 12.415 3.511 -4.741 1.00 0.00 H new ATOM 0 HE22 GLN B 6 14.128 3.809 -5.055 1.00 0.00 H new ATOM 882 N ILE B 7 7.407 5.624 -5.390 1.00 0.00 N ATOM 883 CA ILE B 7 6.437 4.662 -5.890 1.00 0.00 C ATOM 884 C ILE B 7 6.979 4.042 -7.177 1.00 0.00 C ATOM 885 O ILE B 7 7.596 4.718 -7.999 1.00 0.00 O ATOM 886 CB ILE B 7 5.081 5.351 -6.156 1.00 0.00 C ATOM 887 CG1 ILE B 7 4.409 5.822 -4.848 1.00 0.00 C ATOM 888 CG2 ILE B 7 4.134 4.454 -6.979 1.00 0.00 C ATOM 889 CD1 ILE B 7 3.501 4.777 -4.191 1.00 0.00 C ATOM 0 H ILE B 7 7.173 6.587 -5.633 1.00 0.00 H new ATOM 0 HA ILE B 7 6.278 3.883 -5.145 1.00 0.00 H new ATOM 0 HB ILE B 7 5.291 6.239 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE B 7 5.185 6.109 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE B 7 3.822 6.716 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE B 7 3.191 4.975 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE B 7 4.595 4.224 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE B 7 3.946 3.528 -6.435 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.071 5.191 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.701 4.506 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE B 7 4.085 3.890 -3.946 1.00 0.00 H new ATOM 901 N SER B 8 6.727 2.739 -7.323 1.00 0.00 N ATOM 902 CA SER B 8 7.079 1.916 -8.467 1.00 0.00 C ATOM 903 C SER B 8 5.791 1.278 -8.984 1.00 0.00 C ATOM 904 O SER B 8 4.730 1.457 -8.387 1.00 0.00 O ATOM 905 CB SER B 8 8.086 0.846 -8.033 1.00 0.00 C ATOM 906 OG SER B 8 9.238 1.453 -7.488 1.00 0.00 O ATOM 0 H SER B 8 6.244 2.206 -6.600 1.00 0.00 H new ATOM 0 HA SER B 8 7.541 2.509 -9.257 1.00 0.00 H new ATOM 0 HB2 SER B 8 7.630 0.186 -7.295 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.361 0.228 -8.887 1.00 0.00 H new ATOM 0 HG SER B 8 9.874 0.760 -7.213 1.00 0.00 H new ATOM 912 N ASP B 9 5.870 0.536 -10.094 1.00 0.00 N ATOM 913 CA ASP B 9 4.707 -0.148 -10.641 1.00 0.00 C ATOM 914 C ASP B 9 4.196 -1.147 -9.604 1.00 0.00 C ATOM 915 O ASP B 9 3.008 -1.159 -9.295 1.00 0.00 O ATOM 916 CB ASP B 9 5.069 -0.841 -11.959 1.00 0.00 C ATOM 917 CG ASP B 9 3.866 -1.574 -12.550 1.00 0.00 C ATOM 918 OD1 ASP B 9 3.044 -0.890 -13.198 1.00 0.00 O ATOM 919 OD2 ASP B 9 3.783 -2.803 -12.336 1.00 0.00 O ATOM 0 H ASP B 9 6.729 0.398 -10.626 1.00 0.00 H new ATOM 0 HA ASP B 9 3.917 0.570 -10.860 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.434 -0.102 -12.673 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.881 -1.548 -11.789 1.00 0.00 H new ATOM 924 N ALA B 10 5.111 -1.953 -9.049 1.00 0.00 N ATOM 925 CA ALA B 10 4.808 -2.936 -8.022 1.00 0.00 C ATOM 926 C ALA B 10 4.170 -2.281 -6.802 1.00 0.00 C ATOM 927 O ALA B 10 3.259 -2.857 -6.211 1.00 0.00 O ATOM 928 CB ALA B 10 6.089 -3.674 -7.618 1.00 0.00 C ATOM 0 H ALA B 10 6.096 -1.933 -9.311 1.00 0.00 H new ATOM 0 HA ALA B 10 4.093 -3.650 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA B 10 5.857 -4.410 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.508 -4.179 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA B 10 6.814 -2.959 -7.230 1.00 0.00 H new ATOM 934 N GLU B 11 4.638 -1.080 -6.433 1.00 0.00 N ATOM 935 CA GLU B 11 4.095 -0.354 -5.301 1.00 0.00 C ATOM 936 C GLU B 11 2.676 0.071 -5.640 1.00 0.00 C ATOM 937 O GLU B 11 1.741 -0.355 -4.978 1.00 0.00 O ATOM 938 CB GLU B 11 4.970 0.857 -4.944 1.00 0.00 C ATOM 939 CG GLU B 11 5.033 1.052 -3.426 1.00 0.00 C ATOM 940 CD GLU B 11 5.984 2.180 -3.038 1.00 0.00 C ATOM 941 OE1 GLU B 11 7.148 2.113 -3.484 1.00 0.00 O ATOM 942 OE2 GLU B 11 5.541 3.074 -2.284 1.00 0.00 O ATOM 0 H GLU B 11 5.397 -0.597 -6.913 1.00 0.00 H new ATOM 0 HA GLU B 11 4.083 -1.000 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.976 0.714 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.567 1.754 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU B 11 4.035 1.271 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.357 0.125 -2.954 1.00 0.00 H new ATOM 949 N LEU B 12 2.523 0.868 -6.702 1.00 0.00 N ATOM 950 CA LEU B 12 1.255 1.391 -7.176 1.00 0.00 C ATOM 951 C LEU B 12 0.196 0.291 -7.324 1.00 0.00 C ATOM 952 O LEU B 12 -0.960 0.526 -6.977 1.00 0.00 O ATOM 953 CB LEU B 12 1.534 2.198 -8.458 1.00 0.00 C ATOM 954 CG LEU B 12 0.349 2.872 -9.174 1.00 0.00 C ATOM 955 CD1 LEU B 12 -0.464 1.907 -10.047 1.00 0.00 C ATOM 956 CD2 LEU B 12 -0.549 3.662 -8.214 1.00 0.00 C ATOM 0 H LEU B 12 3.313 1.173 -7.270 1.00 0.00 H new ATOM 0 HA LEU B 12 0.811 2.065 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU B 12 2.257 2.975 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU B 12 2.016 1.530 -9.172 1.00 0.00 H new ATOM 0 HG LEU B 12 0.801 3.592 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.283 2.448 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.181 1.479 -10.814 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.869 1.108 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.368 4.116 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.954 2.989 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.036 4.443 -7.728 1.00 0.00 H new ATOM 968 N GLU B 13 0.570 -0.910 -7.793 1.00 0.00 N ATOM 969 CA GLU B 13 -0.371 -2.017 -7.929 1.00 0.00 C ATOM 970 C GLU B 13 -0.944 -2.415 -6.564 1.00 0.00 C ATOM 971 O GLU B 13 -2.158 -2.559 -6.430 1.00 0.00 O ATOM 972 CB GLU B 13 0.313 -3.206 -8.619 1.00 0.00 C ATOM 973 CG GLU B 13 0.453 -3.002 -10.134 1.00 0.00 C ATOM 974 CD GLU B 13 -0.896 -3.047 -10.851 1.00 0.00 C ATOM 975 OE1 GLU B 13 -1.456 -4.162 -10.942 1.00 0.00 O ATOM 976 OE2 GLU B 13 -1.344 -1.968 -11.296 1.00 0.00 O ATOM 0 H GLU B 13 1.522 -1.133 -8.083 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.206 -1.696 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.300 -3.357 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.261 -4.113 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.933 -2.042 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.106 -3.773 -10.544 1.00 0.00 H new ATOM 983 N VAL B 14 -0.080 -2.581 -5.554 1.00 0.00 N ATOM 984 CA VAL B 14 -0.470 -2.923 -4.191 1.00 0.00 C ATOM 985 C VAL B 14 -1.223 -1.753 -3.572 1.00 0.00 C ATOM 986 O VAL B 14 -2.354 -1.924 -3.131 1.00 0.00 O ATOM 987 CB VAL B 14 0.780 -3.252 -3.355 1.00 0.00 C ATOM 988 CG1 VAL B 14 0.464 -3.350 -1.855 1.00 0.00 C ATOM 989 CG2 VAL B 14 1.471 -4.515 -3.856 1.00 0.00 C ATOM 0 H VAL B 14 0.928 -2.478 -5.670 1.00 0.00 H new ATOM 0 HA VAL B 14 -1.119 -3.799 -4.208 1.00 0.00 H new ATOM 0 HB VAL B 14 1.472 -2.420 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL B 14 1.376 -3.584 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL B 14 0.063 -2.399 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -0.271 -4.137 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL B 14 2.349 -4.717 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL B 14 0.782 -5.357 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL B 14 1.777 -4.375 -4.893 1.00 0.00 H new ATOM 999 N MET B 15 -0.590 -0.575 -3.533 1.00 0.00 N ATOM 1000 CA MET B 15 -1.124 0.651 -2.973 1.00 0.00 C ATOM 1001 C MET B 15 -2.543 0.926 -3.467 1.00 0.00 C ATOM 1002 O MET B 15 -3.392 1.300 -2.668 1.00 0.00 O ATOM 1003 CB MET B 15 -0.177 1.801 -3.238 1.00 0.00 C ATOM 1004 CG MET B 15 1.123 1.513 -2.496 1.00 0.00 C ATOM 1005 SD MET B 15 1.140 1.734 -0.704 1.00 0.00 S ATOM 1006 CE MET B 15 0.840 3.516 -0.598 1.00 0.00 C ATOM 0 H MET B 15 0.350 -0.455 -3.910 1.00 0.00 H new ATOM 0 HA MET B 15 -1.204 0.536 -1.892 1.00 0.00 H new ATOM 0 HB2 MET B 15 0.008 1.905 -4.307 1.00 0.00 H new ATOM 0 HB3 MET B 15 -0.612 2.741 -2.897 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.408 0.483 -2.709 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.898 2.152 -2.919 1.00 0.00 H new ATOM 0 HE1 MET B 15 1.448 3.941 0.201 1.00 0.00 H new ATOM 0 HE2 MET B 15 1.105 3.986 -1.545 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.214 3.696 -0.386 1.00 0.00 H new ATOM 1016 N LYS B 16 -2.791 0.716 -4.768 1.00 0.00 N ATOM 1017 CA LYS B 16 -4.087 0.868 -5.422 1.00 0.00 C ATOM 1018 C LYS B 16 -5.088 -0.128 -4.833 1.00 0.00 C ATOM 1019 O LYS B 16 -6.231 0.241 -4.569 1.00 0.00 O ATOM 1020 CB LYS B 16 -3.901 0.677 -6.933 1.00 0.00 C ATOM 1021 CG LYS B 16 -5.216 0.845 -7.706 1.00 0.00 C ATOM 1022 CD LYS B 16 -5.014 0.722 -9.222 1.00 0.00 C ATOM 1023 CE LYS B 16 -4.351 1.965 -9.826 1.00 0.00 C ATOM 1024 NZ LYS B 16 -4.191 1.828 -11.283 1.00 0.00 N ATOM 0 H LYS B 16 -2.059 0.423 -5.415 1.00 0.00 H new ATOM 0 HA LYS B 16 -4.490 1.866 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -3.171 1.398 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -3.494 -0.316 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -5.930 0.092 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -5.649 1.818 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -4.400 -0.153 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.979 0.559 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -4.954 2.846 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -3.376 2.122 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.740 2.684 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -3.596 1.001 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -5.124 1.703 -11.724 1.00 0.00 H new ATOM 1038 N VAL B 17 -4.662 -1.381 -4.623 1.00 0.00 N ATOM 1039 CA VAL B 17 -5.489 -2.412 -4.012 1.00 0.00 C ATOM 1040 C VAL B 17 -5.797 -2.025 -2.558 1.00 0.00 C ATOM 1041 O VAL B 17 -6.907 -2.270 -2.088 1.00 0.00 O ATOM 1042 CB VAL B 17 -4.812 -3.789 -4.163 1.00 0.00 C ATOM 1043 CG1 VAL B 17 -5.378 -4.816 -3.179 1.00 0.00 C ATOM 1044 CG2 VAL B 17 -4.992 -4.304 -5.597 1.00 0.00 C ATOM 0 H VAL B 17 -3.728 -1.702 -4.876 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.449 -2.492 -4.523 1.00 0.00 H new ATOM 0 HB VAL B 17 -3.753 -3.659 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -4.873 -5.772 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -5.219 -4.468 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.446 -4.940 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -4.511 -5.277 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -6.055 -4.400 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -4.538 -3.601 -6.296 1.00 0.00 H new ATOM 1054 N ILE B 18 -4.838 -1.410 -1.849 1.00 0.00 N ATOM 1055 CA ILE B 18 -5.049 -0.945 -0.483 1.00 0.00 C ATOM 1056 C ILE B 18 -6.020 0.239 -0.503 1.00 0.00 C ATOM 1057 O ILE B 18 -6.921 0.310 0.331 1.00 0.00 O ATOM 1058 CB ILE B 18 -3.711 -0.573 0.189 1.00 0.00 C ATOM 1059 CG1 ILE B 18 -2.757 -1.787 0.167 1.00 0.00 C ATOM 1060 CG2 ILE B 18 -3.983 0.000 1.593 1.00 0.00 C ATOM 1061 CD1 ILE B 18 -1.686 -1.764 1.257 1.00 0.00 C ATOM 0 H ILE B 18 -3.902 -1.225 -2.210 1.00 0.00 H new ATOM 0 HA ILE B 18 -5.485 -1.748 0.111 1.00 0.00 H new ATOM 0 HB ILE B 18 -3.199 0.214 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -3.345 -2.699 0.271 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -2.268 -1.833 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -3.038 0.263 2.068 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -4.606 0.890 1.508 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -4.497 -0.747 2.197 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -1.059 -2.652 1.170 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -1.070 -0.872 1.143 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -2.164 -1.752 2.237 1.00 0.00 H new ATOM 1073 N TRP B 19 -5.836 1.157 -1.460 1.00 0.00 N ATOM 1074 CA TRP B 19 -6.626 2.342 -1.679 1.00 0.00 C ATOM 1075 C TRP B 19 -8.053 1.983 -2.114 1.00 0.00 C ATOM 1076 O TRP B 19 -8.965 2.776 -1.885 1.00 0.00 O ATOM 1077 CB TRP B 19 -5.846 3.193 -2.697 1.00 0.00 C ATOM 1078 CG TRP B 19 -4.766 4.099 -2.154 1.00 0.00 C ATOM 1079 CD1 TRP B 19 -4.790 4.728 -0.954 1.00 0.00 C ATOM 1080 CD2 TRP B 19 -3.473 4.461 -2.746 1.00 0.00 C ATOM 1081 NE1 TRP B 19 -3.608 5.400 -0.738 1.00 0.00 N ATOM 1082 CE2 TRP B 19 -2.750 5.249 -1.803 1.00 0.00 C ATOM 1083 CE3 TRP B 19 -2.818 4.197 -3.973 1.00 0.00 C ATOM 1084 CZ2 TRP B 19 -1.449 5.711 -2.041 1.00 0.00 C ATOM 1085 CZ3 TRP B 19 -1.499 4.632 -4.212 1.00 0.00 C ATOM 1086 CH2 TRP B 19 -0.821 5.407 -3.256 1.00 0.00 C ATOM 0 H TRP B 19 -5.078 1.072 -2.138 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.770 2.921 -0.767 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.389 2.519 -3.422 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.562 3.809 -3.242 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -5.620 4.705 -0.264 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -3.396 5.939 0.102 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.341 3.650 -4.743 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -0.934 6.297 -1.294 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -1.006 4.368 -5.136 1.00 0.00 H new ATOM 0 HH2 TRP B 19 0.178 5.766 -3.456 1.00 0.00 H new ATOM 1097 N LYS B 20 -8.261 0.797 -2.709 1.00 0.00 N ATOM 1098 CA LYS B 20 -9.584 0.318 -3.092 1.00 0.00 C ATOM 1099 C LYS B 20 -10.362 -0.001 -1.809 1.00 0.00 C ATOM 1100 O LYS B 20 -11.507 0.423 -1.660 1.00 0.00 O ATOM 1101 CB LYS B 20 -9.459 -0.900 -4.019 1.00 0.00 C ATOM 1102 CG LYS B 20 -10.805 -1.508 -4.440 1.00 0.00 C ATOM 1103 CD LYS B 20 -11.673 -0.530 -5.244 1.00 0.00 C ATOM 1104 CE LYS B 20 -12.970 -1.186 -5.731 1.00 0.00 C ATOM 1105 NZ LYS B 20 -12.720 -2.245 -6.723 1.00 0.00 N ATOM 0 H LYS B 20 -7.508 0.147 -2.935 1.00 0.00 H new ATOM 0 HA LYS B 20 -10.128 1.078 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -8.909 -0.607 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -8.868 -1.666 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -10.624 -2.402 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -11.350 -1.824 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -11.913 0.335 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -11.108 -0.163 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -13.504 -1.607 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -13.617 -0.426 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -13.619 -2.531 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -12.076 -1.888 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -12.287 -3.066 -6.253 1.00 0.00 H new ATOM 1119 N HIS B 21 -9.723 -0.730 -0.880 1.00 0.00 N ATOM 1120 CA HIS B 21 -10.266 -1.078 0.431 1.00 0.00 C ATOM 1121 C HIS B 21 -10.251 0.199 1.300 1.00 0.00 C ATOM 1122 O HIS B 21 -9.586 1.163 0.916 1.00 0.00 O ATOM 1123 CB HIS B 21 -9.404 -2.222 1.010 1.00 0.00 C ATOM 1124 CG HIS B 21 -10.109 -3.104 2.020 1.00 0.00 C ATOM 1125 ND1 HIS B 21 -10.990 -2.594 2.975 1.00 0.00 N ATOM 1126 CD2 HIS B 21 -10.008 -4.460 2.202 1.00 0.00 C ATOM 1127 CE1 HIS B 21 -11.356 -3.650 3.707 1.00 0.00 C ATOM 1128 NE2 HIS B 21 -10.798 -4.793 3.282 1.00 0.00 N ATOM 0 H HIS B 21 -8.785 -1.102 -1.031 1.00 0.00 H new ATOM 0 HA HIS B 21 -11.295 -1.434 0.387 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -9.054 -2.845 0.187 1.00 0.00 H new ATOM 0 HB3 HIS B 21 -8.521 -1.790 1.481 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -9.418 -5.142 1.608 1.00 0.00 H new ATOM 0 HE1 HIS B 21 -12.029 -3.590 4.550 1.00 0.00 H new ATOM 0 HE2 HIS B 21 -10.931 -5.723 3.679 1.00 0.00 H new ATOM 1136 N SER B 22 -10.974 0.266 2.439 1.00 0.00 N ATOM 1137 CA SER B 22 -10.924 1.484 3.258 1.00 0.00 C ATOM 1138 C SER B 22 -9.483 1.580 3.763 1.00 0.00 C ATOM 1139 O SER B 22 -8.783 2.538 3.440 1.00 0.00 O ATOM 1140 CB SER B 22 -11.951 1.397 4.396 1.00 0.00 C ATOM 1141 OG SER B 22 -11.808 0.205 5.143 1.00 0.00 O ATOM 0 H SER B 22 -11.574 -0.478 2.797 1.00 0.00 H new ATOM 0 HA SER B 22 -11.185 2.382 2.698 1.00 0.00 H new ATOM 0 HB2 SER B 22 -11.835 2.256 5.057 1.00 0.00 H new ATOM 0 HB3 SER B 22 -12.958 1.448 3.982 1.00 0.00 H new ATOM 0 HG SER B 22 -12.477 0.185 5.859 1.00 0.00 H new ATOM 1147 N SER B 23 -9.038 0.566 4.515 1.00 0.00 N ATOM 1148 CA SER B 23 -7.623 0.307 4.717 1.00 0.00 C ATOM 1149 C SER B 23 -7.491 -1.194 4.422 1.00 0.00 C ATOM 1150 O SER B 23 -8.375 -1.738 3.771 1.00 0.00 O ATOM 1151 CB SER B 23 -7.216 0.719 6.126 1.00 0.00 C ATOM 1152 OG SER B 23 -7.325 2.120 6.264 1.00 0.00 O ATOM 0 H SER B 23 -9.653 -0.091 4.995 1.00 0.00 H new ATOM 0 HA SER B 23 -6.952 0.878 4.076 1.00 0.00 H new ATOM 0 HB2 SER B 23 -7.852 0.222 6.858 1.00 0.00 H new ATOM 0 HB3 SER B 23 -6.192 0.403 6.326 1.00 0.00 H new ATOM 0 HG SER B 23 -7.540 2.341 7.194 1.00 0.00 H new ATOM 1158 N ILE B 24 -6.494 -1.924 4.938 1.00 0.00 N ATOM 1159 CA ILE B 24 -6.444 -3.380 4.752 1.00 0.00 C ATOM 1160 C ILE B 24 -5.719 -4.099 5.906 1.00 0.00 C ATOM 1161 O ILE B 24 -4.828 -3.469 6.469 1.00 0.00 O ATOM 1162 CB ILE B 24 -6.007 -3.687 3.307 1.00 0.00 C ATOM 1163 CG1 ILE B 24 -6.385 -5.102 2.869 1.00 0.00 C ATOM 1164 CG2 ILE B 24 -4.516 -3.409 3.142 1.00 0.00 C ATOM 1165 CD1 ILE B 24 -6.488 -5.217 1.344 1.00 0.00 C ATOM 0 H ILE B 24 -5.721 -1.538 5.480 1.00 0.00 H new ATOM 0 HA ILE B 24 -7.434 -3.828 4.838 1.00 0.00 H new ATOM 0 HB ILE B 24 -6.554 -3.020 2.641 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -5.640 -5.808 3.237 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -7.338 -5.380 3.320 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -4.216 -3.629 2.117 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -4.315 -2.361 3.362 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -3.950 -4.039 3.829 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -6.758 -6.238 1.074 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -7.251 -4.530 0.978 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -5.528 -4.965 0.894 1.00 0.00 H new ATOM 1177 N ASN B 25 -6.009 -5.371 6.265 1.00 0.00 N ATOM 1178 CA ASN B 25 -5.219 -6.105 7.239 1.00 0.00 C ATOM 1179 C ASN B 25 -4.287 -6.991 6.388 1.00 0.00 C ATOM 1180 O ASN B 25 -4.333 -6.945 5.158 1.00 0.00 O ATOM 1181 CB ASN B 25 -6.081 -6.788 8.322 1.00 0.00 C ATOM 1182 CG ASN B 25 -6.812 -8.044 7.849 1.00 0.00 C ATOM 1183 OD1 ASN B 25 -6.190 -9.012 7.415 1.00 0.00 O ATOM 1184 ND2 ASN B 25 -8.142 -8.042 7.962 1.00 0.00 N ATOM 0 H ASN B 25 -6.793 -5.900 5.883 1.00 0.00 H new ATOM 0 HA ASN B 25 -4.605 -5.473 7.881 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -5.442 -7.050 9.165 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -6.816 -6.072 8.689 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -8.679 -8.863 7.684 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -8.622 -7.219 8.327 1.00 0.00 H new ATOM 1191 N THR B 26 -3.404 -7.769 7.012 1.00 0.00 N ATOM 1192 CA THR B 26 -2.398 -8.544 6.296 1.00 0.00 C ATOM 1193 C THR B 26 -2.976 -9.614 5.381 1.00 0.00 C ATOM 1194 O THR B 26 -2.674 -9.591 4.193 1.00 0.00 O ATOM 1195 CB THR B 26 -1.291 -9.109 7.206 1.00 0.00 C ATOM 1196 OG1 THR B 26 -0.816 -8.151 8.121 1.00 0.00 O ATOM 1197 CG2 THR B 26 -0.088 -9.541 6.360 1.00 0.00 C ATOM 0 H THR B 26 -3.368 -7.878 8.025 1.00 0.00 H new ATOM 0 HA THR B 26 -1.921 -7.813 5.643 1.00 0.00 H new ATOM 0 HB THR B 26 -1.733 -9.947 7.745 1.00 0.00 H new ATOM 0 HG1 THR B 26 -0.054 -7.675 7.730 1.00 0.00 H new ATOM 0 HG21 THR B 26 0.690 -9.939 7.011 1.00 0.00 H new ATOM 0 HG22 THR B 26 -0.398 -10.310 5.653 1.00 0.00 H new ATOM 0 HG23 THR B 26 0.300 -8.681 5.814 1.00 0.00 H new ATOM 1205 N ASN B 27 -3.802 -10.546 5.870 1.00 0.00 N ATOM 1206 CA ASN B 27 -4.274 -11.574 4.946 1.00 0.00 C ATOM 1207 C ASN B 27 -5.239 -11.065 3.878 1.00 0.00 C ATOM 1208 O ASN B 27 -5.438 -11.759 2.883 1.00 0.00 O ATOM 1209 CB ASN B 27 -4.752 -12.836 5.649 1.00 0.00 C ATOM 1210 CG ASN B 27 -3.565 -13.761 5.949 1.00 0.00 C ATOM 1211 OD1 ASN B 27 -2.519 -13.311 6.412 1.00 0.00 O ATOM 1212 ND2 ASN B 27 -3.708 -15.052 5.637 1.00 0.00 N ATOM 0 H ASN B 27 -4.137 -10.610 6.831 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.388 -11.870 4.384 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -5.260 -12.573 6.577 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -5.478 -13.356 5.024 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -2.934 -15.700 5.781 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -4.591 -15.389 5.255 1.00 0.00 H new ATOM 1219 N GLU B 28 -5.833 -9.879 4.048 1.00 0.00 N ATOM 1220 CA GLU B 28 -6.682 -9.307 3.026 1.00 0.00 C ATOM 1221 C GLU B 28 -5.785 -8.836 1.883 1.00 0.00 C ATOM 1222 O GLU B 28 -6.101 -9.080 0.720 1.00 0.00 O ATOM 1223 CB GLU B 28 -7.483 -8.145 3.610 1.00 0.00 C ATOM 1224 CG GLU B 28 -8.538 -8.619 4.600 1.00 0.00 C ATOM 1225 CD GLU B 28 -9.433 -7.461 5.039 1.00 0.00 C ATOM 1226 OE1 GLU B 28 -8.869 -6.436 5.482 1.00 0.00 O ATOM 1227 OE2 GLU B 28 -10.668 -7.614 4.916 1.00 0.00 O ATOM 0 H GLU B 28 -5.735 -9.306 4.886 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.393 -10.044 2.653 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.805 -7.451 4.107 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.965 -7.595 2.802 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.145 -9.401 4.144 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -8.053 -9.060 5.471 1.00 0.00 H new ATOM 1234 N VAL B 29 -4.659 -8.185 2.218 1.00 0.00 N ATOM 1235 CA VAL B 29 -3.711 -7.691 1.235 1.00 0.00 C ATOM 1236 C VAL B 29 -2.981 -8.866 0.586 1.00 0.00 C ATOM 1237 O VAL B 29 -3.021 -8.988 -0.634 1.00 0.00 O ATOM 1238 CB VAL B 29 -2.824 -6.573 1.820 1.00 0.00 C ATOM 1239 CG1 VAL B 29 -1.497 -7.009 2.441 1.00 0.00 C ATOM 1240 CG2 VAL B 29 -2.495 -5.544 0.741 1.00 0.00 C ATOM 0 H VAL B 29 -4.390 -7.992 3.183 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.230 -7.193 0.416 1.00 0.00 H new ATOM 0 HB VAL B 29 -3.431 -6.172 2.631 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.966 -6.134 2.816 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.689 -7.697 3.264 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.888 -7.507 1.686 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.868 -4.759 1.165 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.963 -6.031 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -3.418 -5.106 0.362 1.00 0.00 H new ATOM 1250 N ILE B 30 -2.358 -9.752 1.379 1.00 0.00 N ATOM 1251 CA ILE B 30 -1.681 -10.930 0.863 1.00 0.00 C ATOM 1252 C ILE B 30 -2.637 -11.740 -0.009 1.00 0.00 C ATOM 1253 O ILE B 30 -2.316 -12.000 -1.167 1.00 0.00 O ATOM 1254 CB ILE B 30 -1.067 -11.759 2.007 1.00 0.00 C ATOM 1255 CG1 ILE B 30 0.013 -10.906 2.699 1.00 0.00 C ATOM 1256 CG2 ILE B 30 -0.499 -13.072 1.447 1.00 0.00 C ATOM 1257 CD1 ILE B 30 0.954 -11.690 3.618 1.00 0.00 C ATOM 0 H ILE B 30 -2.315 -9.663 2.394 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.849 -10.620 0.231 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.822 -12.026 2.746 1.00 0.00 H new ATOM 0 HG12 ILE B 30 0.607 -10.406 1.934 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -0.477 -10.127 3.282 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.065 -13.656 2.259 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.299 -13.643 0.976 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.271 -12.850 0.708 1.00 0.00 H new ATOM 0 HD11 ILE B 30 1.681 -11.009 4.061 1.00 0.00 H new ATOM 0 HD12 ILE B 30 0.376 -12.168 4.408 1.00 0.00 H new ATOM 0 HD13 ILE B 30 1.477 -12.452 3.039 1.00 0.00 H new ATOM 1269 N LYS B 31 -3.805 -12.112 0.536 1.00 0.00 N ATOM 1270 CA LYS B 31 -4.812 -12.866 -0.203 1.00 0.00 C ATOM 1271 C LYS B 31 -5.134 -12.230 -1.563 1.00 0.00 C ATOM 1272 O LYS B 31 -5.122 -12.928 -2.573 1.00 0.00 O ATOM 1273 CB LYS B 31 -6.084 -13.015 0.647 1.00 0.00 C ATOM 1274 CG LYS B 31 -7.223 -13.785 -0.046 1.00 0.00 C ATOM 1275 CD LYS B 31 -6.861 -15.210 -0.490 1.00 0.00 C ATOM 1276 CE LYS B 31 -6.415 -16.097 0.677 1.00 0.00 C ATOM 1277 NZ LYS B 31 -6.220 -17.490 0.241 1.00 0.00 N ATOM 0 H LYS B 31 -4.071 -11.897 1.497 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.401 -13.854 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.829 -13.526 1.576 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.444 -12.023 0.918 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.074 -13.836 0.634 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.547 -13.219 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.723 -15.664 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.063 -15.164 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.486 -15.711 1.097 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.162 -16.062 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -5.918 -18.068 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.114 -17.864 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.490 -17.523 -0.499 1.00 0.00 H new ATOM 1291 N GLU B 32 -5.400 -10.916 -1.597 1.00 0.00 N ATOM 1292 CA GLU B 32 -5.764 -10.204 -2.817 1.00 0.00 C ATOM 1293 C GLU B 32 -4.609 -10.080 -3.814 1.00 0.00 C ATOM 1294 O GLU B 32 -4.761 -10.486 -4.965 1.00 0.00 O ATOM 1295 CB GLU B 32 -6.360 -8.835 -2.463 1.00 0.00 C ATOM 1296 CG GLU B 32 -6.874 -8.083 -3.699 1.00 0.00 C ATOM 1297 CD GLU B 32 -7.926 -8.875 -4.475 1.00 0.00 C ATOM 1298 OE1 GLU B 32 -9.049 -9.003 -3.941 1.00 0.00 O ATOM 1299 OE2 GLU B 32 -7.588 -9.341 -5.585 1.00 0.00 O ATOM 0 H GLU B 32 -5.367 -10.320 -0.770 1.00 0.00 H new ATOM 0 HA GLU B 32 -6.520 -10.800 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -7.179 -8.970 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -5.603 -8.231 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -7.300 -7.129 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -6.035 -7.858 -4.358 1.00 0.00 H new ATOM 1306 N LEU B 33 -3.475 -9.506 -3.392 1.00 0.00 N ATOM 1307 CA LEU B 33 -2.293 -9.316 -4.230 1.00 0.00 C ATOM 1308 C LEU B 33 -1.856 -10.625 -4.898 1.00 0.00 C ATOM 1309 O LEU B 33 -1.485 -10.612 -6.068 1.00 0.00 O ATOM 1310 CB LEU B 33 -1.126 -8.780 -3.392 1.00 0.00 C ATOM 1311 CG LEU B 33 -1.073 -7.311 -3.015 1.00 0.00 C ATOM 1312 CD1 LEU B 33 -2.394 -6.555 -2.827 1.00 0.00 C ATOM 1313 CD2 LEU B 33 -0.140 -7.142 -1.812 1.00 0.00 C ATOM 0 H LEU B 33 -3.355 -9.156 -2.441 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.562 -8.598 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.103 -9.353 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -0.207 -9.009 -3.932 1.00 0.00 H new ATOM 0 HG LEU B 33 -0.685 -6.818 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -2.185 -5.519 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -2.965 -6.583 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -2.972 -7.025 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -0.094 -6.090 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.520 -7.725 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU B 33 0.859 -7.492 -2.074 1.00 0.00 H new ATOM 1325 N SER B 34 -1.892 -11.746 -4.164 1.00 0.00 N ATOM 1326 CA SER B 34 -1.493 -13.052 -4.675 1.00 0.00 C ATOM 1327 C SER B 34 -2.353 -13.522 -5.855 1.00 0.00 C ATOM 1328 O SER B 34 -1.858 -14.264 -6.701 1.00 0.00 O ATOM 1329 CB SER B 34 -1.503 -14.088 -3.547 1.00 0.00 C ATOM 1330 OG SER B 34 -0.550 -13.751 -2.562 1.00 0.00 O ATOM 0 H SER B 34 -2.202 -11.765 -3.192 1.00 0.00 H new ATOM 0 HA SER B 34 -0.478 -12.947 -5.058 1.00 0.00 H new ATOM 0 HB2 SER B 34 -2.496 -14.139 -3.100 1.00 0.00 H new ATOM 0 HB3 SER B 34 -1.285 -15.077 -3.951 1.00 0.00 H new ATOM 0 HG SER B 34 -0.951 -13.131 -1.918 1.00 0.00 H new ATOM 1336 N LYS B 35 -3.626 -13.106 -5.922 1.00 0.00 N ATOM 1337 CA LYS B 35 -4.518 -13.473 -7.016 1.00 0.00 C ATOM 1338 C LYS B 35 -4.142 -12.707 -8.283 1.00 0.00 C ATOM 1339 O LYS B 35 -4.011 -13.300 -9.352 1.00 0.00 O ATOM 1340 CB LYS B 35 -5.979 -13.170 -6.657 1.00 0.00 C ATOM 1341 CG LYS B 35 -6.486 -14.058 -5.518 1.00 0.00 C ATOM 1342 CD LYS B 35 -7.908 -13.643 -5.123 1.00 0.00 C ATOM 1343 CE LYS B 35 -8.407 -14.426 -3.906 1.00 0.00 C ATOM 1344 NZ LYS B 35 -8.530 -15.867 -4.184 1.00 0.00 N ATOM 0 H LYS B 35 -4.059 -12.508 -5.218 1.00 0.00 H new ATOM 0 HA LYS B 35 -4.412 -14.544 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -6.072 -12.123 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -6.606 -13.315 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -6.476 -15.103 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.822 -13.975 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -7.928 -12.576 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -8.582 -13.808 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -7.720 -14.276 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -9.375 -14.034 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -8.950 -16.345 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -9.138 -16.009 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -7.588 -16.266 -4.372 1.00 0.00 H new ATOM 1358 N THR B 36 -3.975 -11.386 -8.149 1.00 0.00 N ATOM 1359 CA THR B 36 -3.653 -10.485 -9.243 1.00 0.00 C ATOM 1360 C THR B 36 -2.215 -10.689 -9.726 1.00 0.00 C ATOM 1361 O THR B 36 -1.998 -11.108 -10.862 1.00 0.00 O ATOM 1362 CB THR B 36 -3.928 -9.034 -8.812 1.00 0.00 C ATOM 1363 OG1 THR B 36 -3.223 -8.715 -7.629 1.00 0.00 O ATOM 1364 CG2 THR B 36 -5.424 -8.810 -8.565 1.00 0.00 C ATOM 0 H THR B 36 -4.064 -10.910 -7.251 1.00 0.00 H new ATOM 0 HA THR B 36 -4.294 -10.711 -10.095 1.00 0.00 H new ATOM 0 HB THR B 36 -3.591 -8.389 -9.623 1.00 0.00 H new ATOM 0 HG1 THR B 36 -3.412 -7.787 -7.375 1.00 0.00 H new ATOM 0 HG21 THR B 36 -5.592 -7.777 -8.261 1.00 0.00 H new ATOM 0 HG22 THR B 36 -5.979 -9.014 -9.481 1.00 0.00 H new ATOM 0 HG23 THR B 36 -5.767 -9.480 -7.777 1.00 0.00 H new ATOM 1372 N SER B 37 -1.243 -10.398 -8.855 1.00 0.00 N ATOM 1373 CA SER B 37 0.185 -10.503 -9.118 1.00 0.00 C ATOM 1374 C SER B 37 0.733 -11.864 -8.689 1.00 0.00 C ATOM 1375 O SER B 37 0.093 -12.579 -7.921 1.00 0.00 O ATOM 1376 CB SER B 37 0.913 -9.382 -8.375 1.00 0.00 C ATOM 1377 OG SER B 37 0.438 -8.120 -8.792 1.00 0.00 O ATOM 0 H SER B 37 -1.444 -10.070 -7.910 1.00 0.00 H new ATOM 0 HA SER B 37 0.351 -10.406 -10.191 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.766 -9.495 -7.301 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.985 -9.452 -8.559 1.00 0.00 H new ATOM 0 HG SER B 37 0.865 -7.417 -8.259 1.00 0.00 H new ATOM 1383 N THR B 38 1.921 -12.215 -9.203 1.00 0.00 N ATOM 1384 CA THR B 38 2.604 -13.469 -8.910 1.00 0.00 C ATOM 1385 C THR B 38 2.848 -13.588 -7.404 1.00 0.00 C ATOM 1386 O THR B 38 2.237 -14.445 -6.768 1.00 0.00 O ATOM 1387 CB THR B 38 3.906 -13.553 -9.723 1.00 0.00 C ATOM 1388 OG1 THR B 38 3.608 -13.428 -11.098 1.00 0.00 O ATOM 1389 CG2 THR B 38 4.628 -14.885 -9.494 1.00 0.00 C ATOM 0 H THR B 38 2.439 -11.617 -9.847 1.00 0.00 H new ATOM 0 HA THR B 38 1.980 -14.313 -9.205 1.00 0.00 H new ATOM 0 HB THR B 38 4.559 -12.745 -9.394 1.00 0.00 H new ATOM 0 HG1 THR B 38 4.437 -13.480 -11.618 1.00 0.00 H new ATOM 0 HG21 THR B 38 5.544 -14.909 -10.085 1.00 0.00 H new ATOM 0 HG22 THR B 38 4.875 -14.988 -8.437 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.980 -15.707 -9.797 1.00 0.00 H new ATOM 1397 N TRP B 39 3.732 -12.728 -6.871 1.00 0.00 N ATOM 1398 CA TRP B 39 4.149 -12.573 -5.482 1.00 0.00 C ATOM 1399 C TRP B 39 3.454 -13.475 -4.451 1.00 0.00 C ATOM 1400 O TRP B 39 2.262 -13.322 -4.190 1.00 0.00 O ATOM 1401 CB TRP B 39 3.991 -11.100 -5.069 1.00 0.00 C ATOM 1402 CG TRP B 39 4.413 -10.027 -6.029 1.00 0.00 C ATOM 1403 CD1 TRP B 39 5.509 -10.033 -6.820 1.00 0.00 C ATOM 1404 CD2 TRP B 39 3.735 -8.766 -6.305 1.00 0.00 C ATOM 1405 NE1 TRP B 39 5.556 -8.875 -7.569 1.00 0.00 N ATOM 1406 CE2 TRP B 39 4.477 -8.059 -7.295 1.00 0.00 C ATOM 1407 CE3 TRP B 39 2.556 -8.153 -5.827 1.00 0.00 C ATOM 1408 CZ2 TRP B 39 4.067 -6.812 -7.791 1.00 0.00 C ATOM 1409 CZ3 TRP B 39 2.119 -6.918 -6.340 1.00 0.00 C ATOM 1410 CH2 TRP B 39 2.875 -6.245 -7.314 1.00 0.00 C ATOM 0 H TRP B 39 4.217 -12.060 -7.470 1.00 0.00 H new ATOM 0 HA TRP B 39 5.189 -12.900 -5.466 1.00 0.00 H new ATOM 0 HB2 TRP B 39 2.940 -10.935 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP B 39 4.552 -10.955 -4.146 1.00 0.00 H new ATOM 0 HD1 TRP B 39 6.240 -10.827 -6.860 1.00 0.00 H new ATOM 0 HE1 TRP B 39 6.292 -8.651 -8.238 1.00 0.00 H new ATOM 0 HE3 TRP B 39 1.980 -8.641 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP B 39 4.661 -6.295 -8.530 1.00 0.00 H new ATOM 0 HZ3 TRP B 39 1.197 -6.485 -5.983 1.00 0.00 H new ATOM 0 HH2 TRP B 39 2.539 -5.292 -7.696 1.00 0.00 H new ATOM 1421 N SER B 40 4.217 -14.395 -3.845 1.00 0.00 N ATOM 1422 CA SER B 40 3.746 -15.304 -2.805 1.00 0.00 C ATOM 1423 C SER B 40 3.639 -14.538 -1.472 1.00 0.00 C ATOM 1424 O SER B 40 3.998 -13.362 -1.426 1.00 0.00 O ATOM 1425 CB SER B 40 4.725 -16.486 -2.732 1.00 0.00 C ATOM 1426 OG SER B 40 5.948 -16.094 -2.144 1.00 0.00 O ATOM 0 H SER B 40 5.202 -14.526 -4.074 1.00 0.00 H new ATOM 0 HA SER B 40 2.753 -15.695 -3.028 1.00 0.00 H new ATOM 0 HB2 SER B 40 4.281 -17.295 -2.152 1.00 0.00 H new ATOM 0 HB3 SER B 40 4.907 -16.875 -3.734 1.00 0.00 H new ATOM 0 HG SER B 40 6.276 -15.281 -2.582 1.00 0.00 H new ATOM 1432 N PRO B 41 3.155 -15.155 -0.379 1.00 0.00 N ATOM 1433 CA PRO B 41 3.037 -14.498 0.919 1.00 0.00 C ATOM 1434 C PRO B 41 4.342 -13.847 1.379 1.00 0.00 C ATOM 1435 O PRO B 41 4.324 -12.721 1.868 1.00 0.00 O ATOM 1436 CB PRO B 41 2.559 -15.587 1.881 1.00 0.00 C ATOM 1437 CG PRO B 41 1.733 -16.472 0.970 1.00 0.00 C ATOM 1438 CD PRO B 41 2.576 -16.487 -0.303 1.00 0.00 C ATOM 0 HA PRO B 41 2.334 -13.666 0.873 1.00 0.00 H new ATOM 0 HB2 PRO B 41 3.391 -16.128 2.331 1.00 0.00 H new ATOM 0 HB3 PRO B 41 1.966 -15.177 2.699 1.00 0.00 H new ATOM 0 HG2 PRO B 41 1.599 -17.472 1.383 1.00 0.00 H new ATOM 0 HG3 PRO B 41 0.738 -16.063 0.796 1.00 0.00 H new ATOM 0 HD2 PRO B 41 3.350 -17.253 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO B 41 1.965 -16.704 -1.180 1.00 0.00 H new ATOM 1446 N LYS B 42 5.467 -14.546 1.191 1.00 0.00 N ATOM 1447 CA LYS B 42 6.791 -14.060 1.545 1.00 0.00 C ATOM 1448 C LYS B 42 7.119 -12.820 0.713 1.00 0.00 C ATOM 1449 O LYS B 42 7.457 -11.781 1.273 1.00 0.00 O ATOM 1450 CB LYS B 42 7.840 -15.155 1.294 1.00 0.00 C ATOM 1451 CG LYS B 42 7.892 -16.240 2.383 1.00 0.00 C ATOM 1452 CD LYS B 42 6.659 -17.147 2.496 1.00 0.00 C ATOM 1453 CE LYS B 42 6.397 -17.961 1.224 1.00 0.00 C ATOM 1454 NZ LYS B 42 5.254 -18.871 1.403 1.00 0.00 N ATOM 0 H LYS B 42 5.475 -15.480 0.781 1.00 0.00 H new ATOM 0 HA LYS B 42 6.806 -13.798 2.603 1.00 0.00 H new ATOM 0 HB2 LYS B 42 7.632 -15.629 0.335 1.00 0.00 H new ATOM 0 HB3 LYS B 42 8.822 -14.690 1.213 1.00 0.00 H new ATOM 0 HG2 LYS B 42 8.764 -16.868 2.199 1.00 0.00 H new ATOM 0 HG3 LYS B 42 8.048 -15.752 3.345 1.00 0.00 H new ATOM 0 HD2 LYS B 42 6.792 -17.829 3.336 1.00 0.00 H new ATOM 0 HD3 LYS B 42 5.784 -16.536 2.717 1.00 0.00 H new ATOM 0 HE2 LYS B 42 6.201 -17.286 0.391 1.00 0.00 H new ATOM 0 HE3 LYS B 42 7.287 -18.536 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 5.099 -19.410 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 5.453 -19.529 2.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 4.402 -18.318 1.625 1.00 0.00 H new ATOM 1468 N THR B 43 6.998 -12.946 -0.616 1.00 0.00 N ATOM 1469 CA THR B 43 7.271 -11.917 -1.613 1.00 0.00 C ATOM 1470 C THR B 43 6.589 -10.575 -1.330 1.00 0.00 C ATOM 1471 O THR B 43 7.159 -9.528 -1.624 1.00 0.00 O ATOM 1472 CB THR B 43 6.823 -12.427 -2.985 1.00 0.00 C ATOM 1473 OG1 THR B 43 7.262 -13.750 -3.191 1.00 0.00 O ATOM 1474 CG2 THR B 43 7.331 -11.526 -4.115 1.00 0.00 C ATOM 0 H THR B 43 6.689 -13.820 -1.042 1.00 0.00 H new ATOM 0 HA THR B 43 8.344 -11.728 -1.581 1.00 0.00 H new ATOM 0 HB THR B 43 5.733 -12.407 -3.000 1.00 0.00 H new ATOM 0 HG1 THR B 43 7.257 -13.951 -4.150 1.00 0.00 H new ATOM 0 HG21 THR B 43 6.993 -11.919 -5.074 1.00 0.00 H new ATOM 0 HG22 THR B 43 6.941 -10.517 -3.979 1.00 0.00 H new ATOM 0 HG23 THR B 43 8.421 -11.499 -4.097 1.00 0.00 H new ATOM 1482 N ILE B 44 5.370 -10.610 -0.784 1.00 0.00 N ATOM 1483 CA ILE B 44 4.561 -9.431 -0.502 1.00 0.00 C ATOM 1484 C ILE B 44 5.019 -8.699 0.761 1.00 0.00 C ATOM 1485 O ILE B 44 5.107 -7.472 0.761 1.00 0.00 O ATOM 1486 CB ILE B 44 3.084 -9.861 -0.420 1.00 0.00 C ATOM 1487 CG1 ILE B 44 2.617 -10.276 -1.828 1.00 0.00 C ATOM 1488 CG2 ILE B 44 2.215 -8.728 0.147 1.00 0.00 C ATOM 1489 CD1 ILE B 44 1.308 -11.063 -1.833 1.00 0.00 C ATOM 0 H ILE B 44 4.911 -11.482 -0.521 1.00 0.00 H new ATOM 0 HA ILE B 44 4.684 -8.711 -1.311 1.00 0.00 H new ATOM 0 HB ILE B 44 2.982 -10.708 0.258 1.00 0.00 H new ATOM 0 HG12 ILE B 44 2.495 -9.382 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.395 -10.879 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE B 44 1.176 -9.055 0.195 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.561 -8.470 1.148 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.290 -7.854 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE B 44 1.042 -11.321 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE B 44 1.430 -11.976 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE B 44 0.516 -10.455 -1.395 1.00 0.00 H new ATOM 1501 N GLN B 45 5.293 -9.456 1.828 1.00 0.00 N ATOM 1502 CA GLN B 45 5.687 -8.960 3.140 1.00 0.00 C ATOM 1503 C GLN B 45 6.838 -7.941 3.144 1.00 0.00 C ATOM 1504 O GLN B 45 6.896 -7.130 4.067 1.00 0.00 O ATOM 1505 CB GLN B 45 5.947 -10.159 4.057 1.00 0.00 C ATOM 1506 CG GLN B 45 4.634 -10.843 4.466 1.00 0.00 C ATOM 1507 CD GLN B 45 4.854 -12.204 5.129 1.00 0.00 C ATOM 1508 OE1 GLN B 45 5.932 -12.789 5.038 1.00 0.00 O ATOM 1509 NE2 GLN B 45 3.819 -12.714 5.802 1.00 0.00 N ATOM 0 H GLN B 45 5.243 -10.474 1.794 1.00 0.00 H new ATOM 0 HA GLN B 45 4.855 -8.369 3.524 1.00 0.00 H new ATOM 0 HB2 GLN B 45 6.590 -10.877 3.548 1.00 0.00 H new ATOM 0 HB3 GLN B 45 6.481 -9.829 4.948 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.090 -10.194 5.152 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.007 -10.971 3.584 1.00 0.00 H new ATOM 0 HE21 GLN B 45 2.941 -12.198 5.855 1.00 0.00 H new ATOM 0 HE22 GLN B 45 3.907 -13.619 6.263 1.00 0.00 H new ATOM 1518 N THR B 46 7.735 -7.945 2.145 1.00 0.00 N ATOM 1519 CA THR B 46 8.828 -6.975 2.091 1.00 0.00 C ATOM 1520 C THR B 46 8.324 -5.567 1.818 1.00 0.00 C ATOM 1521 O THR B 46 8.776 -4.625 2.467 1.00 0.00 O ATOM 1522 CB THR B 46 9.864 -7.303 1.008 1.00 0.00 C ATOM 1523 OG1 THR B 46 10.921 -6.375 1.146 1.00 0.00 O ATOM 1524 CG2 THR B 46 9.321 -7.223 -0.430 1.00 0.00 C ATOM 0 H THR B 46 7.721 -8.608 1.370 1.00 0.00 H new ATOM 0 HA THR B 46 9.296 -7.032 3.074 1.00 0.00 H new ATOM 0 HB THR B 46 10.178 -8.336 1.154 1.00 0.00 H new ATOM 0 HG1 THR B 46 11.606 -6.556 0.468 1.00 0.00 H new ATOM 0 HG21 THR B 46 10.116 -7.469 -1.133 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.500 -7.930 -0.549 1.00 0.00 H new ATOM 0 HG23 THR B 46 8.961 -6.213 -0.627 1.00 0.00 H new ATOM 1532 N MET B 47 7.428 -5.437 0.830 1.00 0.00 N ATOM 1533 CA MET B 47 6.889 -4.167 0.395 1.00 0.00 C ATOM 1534 C MET B 47 6.328 -3.458 1.610 1.00 0.00 C ATOM 1535 O MET B 47 6.837 -2.408 1.980 1.00 0.00 O ATOM 1536 CB MET B 47 5.871 -4.364 -0.737 1.00 0.00 C ATOM 1537 CG MET B 47 6.549 -5.011 -1.954 1.00 0.00 C ATOM 1538 SD MET B 47 5.581 -4.998 -3.487 1.00 0.00 S ATOM 1539 CE MET B 47 4.583 -6.483 -3.219 1.00 0.00 C ATOM 0 H MET B 47 7.059 -6.233 0.310 1.00 0.00 H new ATOM 0 HA MET B 47 7.666 -3.535 -0.035 1.00 0.00 H new ATOM 0 HB2 MET B 47 5.050 -4.993 -0.392 1.00 0.00 H new ATOM 0 HB3 MET B 47 5.440 -3.403 -1.020 1.00 0.00 H new ATOM 0 HG2 MET B 47 7.493 -4.498 -2.137 1.00 0.00 H new ATOM 0 HG3 MET B 47 6.790 -6.045 -1.706 1.00 0.00 H new ATOM 0 HE1 MET B 47 3.701 -6.449 -3.859 1.00 0.00 H new ATOM 0 HE2 MET B 47 5.173 -7.367 -3.461 1.00 0.00 H new ATOM 0 HE3 MET B 47 4.272 -6.529 -2.175 1.00 0.00 H new ATOM 1549 N LEU B 48 5.357 -4.087 2.273 1.00 0.00 N ATOM 1550 CA LEU B 48 4.728 -3.594 3.484 1.00 0.00 C ATOM 1551 C LEU B 48 5.779 -3.107 4.486 1.00 0.00 C ATOM 1552 O LEU B 48 5.771 -1.938 4.861 1.00 0.00 O ATOM 1553 CB LEU B 48 3.914 -4.746 4.088 1.00 0.00 C ATOM 1554 CG LEU B 48 2.694 -5.114 3.230 1.00 0.00 C ATOM 1555 CD1 LEU B 48 2.207 -6.517 3.604 1.00 0.00 C ATOM 1556 CD2 LEU B 48 1.595 -4.071 3.440 1.00 0.00 C ATOM 0 H LEU B 48 4.979 -4.983 1.966 1.00 0.00 H new ATOM 0 HA LEU B 48 4.082 -2.747 3.250 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.554 -5.621 4.198 1.00 0.00 H new ATOM 0 HB3 LEU B 48 3.581 -4.467 5.088 1.00 0.00 H new ATOM 0 HG LEU B 48 2.966 -5.120 2.175 1.00 0.00 H new ATOM 0 HD11 LEU B 48 1.341 -6.776 2.994 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.005 -7.238 3.427 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.928 -6.536 4.657 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.728 -4.329 2.832 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.309 -4.051 4.492 1.00 0.00 H new ATOM 0 HD23 LEU B 48 1.965 -3.089 3.146 1.00 0.00 H new ATOM 1568 N LEU B 49 6.698 -3.998 4.880 1.00 0.00 N ATOM 1569 CA LEU B 49 7.774 -3.735 5.827 1.00 0.00 C ATOM 1570 C LEU B 49 8.616 -2.519 5.429 1.00 0.00 C ATOM 1571 O LEU B 49 8.978 -1.720 6.292 1.00 0.00 O ATOM 1572 CB LEU B 49 8.612 -5.019 5.969 1.00 0.00 C ATOM 1573 CG LEU B 49 9.783 -5.021 6.973 1.00 0.00 C ATOM 1574 CD1 LEU B 49 11.079 -4.451 6.381 1.00 0.00 C ATOM 1575 CD2 LEU B 49 9.466 -4.359 8.321 1.00 0.00 C ATOM 0 H LEU B 49 6.707 -4.956 4.531 1.00 0.00 H new ATOM 0 HA LEU B 49 7.352 -3.473 6.797 1.00 0.00 H new ATOM 0 HB2 LEU B 49 7.936 -5.828 6.245 1.00 0.00 H new ATOM 0 HB3 LEU B 49 9.016 -5.263 4.986 1.00 0.00 H new ATOM 0 HG LEU B 49 9.942 -6.079 7.181 1.00 0.00 H new ATOM 0 HD11 LEU B 49 11.866 -4.479 7.134 1.00 0.00 H new ATOM 0 HD12 LEU B 49 11.379 -5.048 5.520 1.00 0.00 H new ATOM 0 HD13 LEU B 49 10.913 -3.420 6.067 1.00 0.00 H new ATOM 0 HD21 LEU B 49 10.344 -4.405 8.965 1.00 0.00 H new ATOM 0 HD22 LEU B 49 9.190 -3.317 8.159 1.00 0.00 H new ATOM 0 HD23 LEU B 49 8.638 -4.884 8.798 1.00 0.00 H new ATOM 1587 N ARG B 50 8.917 -2.348 4.137 1.00 0.00 N ATOM 1588 CA ARG B 50 9.718 -1.278 3.631 1.00 0.00 C ATOM 1589 C ARG B 50 8.894 0.012 3.570 1.00 0.00 C ATOM 1590 O ARG B 50 9.422 1.073 3.884 1.00 0.00 O ATOM 1591 CB ARG B 50 10.221 -1.765 2.270 1.00 0.00 C ATOM 1592 CG ARG B 50 10.938 -0.660 1.524 1.00 0.00 C ATOM 1593 CD ARG B 50 12.224 -0.183 2.215 1.00 0.00 C ATOM 1594 NE ARG B 50 13.183 -1.290 2.363 1.00 0.00 N ATOM 1595 CZ ARG B 50 14.507 -1.178 2.556 1.00 0.00 C ATOM 1596 NH1 ARG B 50 15.109 0.019 2.596 1.00 0.00 N ATOM 1597 NH2 ARG B 50 15.241 -2.288 2.711 1.00 0.00 N ATOM 0 H ARG B 50 8.589 -2.982 3.408 1.00 0.00 H new ATOM 0 HA ARG B 50 10.568 -1.030 4.266 1.00 0.00 H new ATOM 0 HB2 ARG B 50 10.895 -2.610 2.410 1.00 0.00 H new ATOM 0 HB3 ARG B 50 9.380 -2.123 1.675 1.00 0.00 H new ATOM 0 HG2 ARG B 50 11.183 -1.010 0.521 1.00 0.00 H new ATOM 0 HG3 ARG B 50 10.262 0.187 1.409 1.00 0.00 H new ATOM 0 HD2 ARG B 50 12.677 0.621 1.634 1.00 0.00 H new ATOM 0 HD3 ARG B 50 11.984 0.229 3.195 1.00 0.00 H new ATOM 0 HE ARG B 50 12.804 -2.236 2.314 1.00 0.00 H new ATOM 0 HH11 ARG B 50 14.560 0.870 2.479 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.116 0.078 2.744 1.00 0.00 H new ATOM 0 HH21 ARG B 50 14.793 -3.204 2.682 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.248 -2.217 2.858 1.00 0.00 H new ATOM 1611 N LEU B 51 7.618 -0.067 3.161 1.00 0.00 N ATOM 1612 CA LEU B 51 6.722 1.082 3.089 1.00 0.00 C ATOM 1613 C LEU B 51 6.512 1.663 4.485 1.00 0.00 C ATOM 1614 O LEU B 51 6.355 2.869 4.631 1.00 0.00 O ATOM 1615 CB LEU B 51 5.394 0.708 2.420 1.00 0.00 C ATOM 1616 CG LEU B 51 5.516 0.336 0.928 1.00 0.00 C ATOM 1617 CD1 LEU B 51 4.144 0.435 0.257 1.00 0.00 C ATOM 1618 CD2 LEU B 51 6.567 1.125 0.138 1.00 0.00 C ATOM 0 H LEU B 51 7.182 -0.942 2.870 1.00 0.00 H new ATOM 0 HA LEU B 51 7.181 1.850 2.467 1.00 0.00 H new ATOM 0 HB2 LEU B 51 4.954 -0.133 2.957 1.00 0.00 H new ATOM 0 HB3 LEU B 51 4.703 1.545 2.518 1.00 0.00 H new ATOM 0 HG LEU B 51 5.879 -0.692 0.911 1.00 0.00 H new ATOM 0 HD11 LEU B 51 4.234 0.171 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.450 -0.250 0.744 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.769 1.455 0.345 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.572 0.787 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.326 2.187 0.172 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.551 0.962 0.578 1.00 0.00 H new ATOM 1630 N ILE B 52 6.515 0.808 5.509 1.00 0.00 N ATOM 1631 CA ILE B 52 6.415 1.206 6.902 1.00 0.00 C ATOM 1632 C ILE B 52 7.665 1.991 7.318 1.00 0.00 C ATOM 1633 O ILE B 52 7.551 2.972 8.051 1.00 0.00 O ATOM 1634 CB ILE B 52 6.123 -0.040 7.748 1.00 0.00 C ATOM 1635 CG1 ILE B 52 4.693 -0.492 7.400 1.00 0.00 C ATOM 1636 CG2 ILE B 52 6.242 0.245 9.252 1.00 0.00 C ATOM 1637 CD1 ILE B 52 4.421 -1.941 7.796 1.00 0.00 C ATOM 0 H ILE B 52 6.589 -0.202 5.383 1.00 0.00 H new ATOM 0 HA ILE B 52 5.585 1.893 7.065 1.00 0.00 H new ATOM 0 HB ILE B 52 6.853 -0.818 7.525 1.00 0.00 H new ATOM 0 HG12 ILE B 52 3.978 0.158 7.904 1.00 0.00 H new ATOM 0 HG13 ILE B 52 4.530 -0.376 6.329 1.00 0.00 H new ATOM 0 HG21 ILE B 52 6.027 -0.665 9.813 1.00 0.00 H new ATOM 0 HG22 ILE B 52 7.254 0.581 9.480 1.00 0.00 H new ATOM 0 HG23 ILE B 52 5.530 1.021 9.533 1.00 0.00 H new ATOM 0 HD11 ILE B 52 3.398 -2.206 7.527 1.00 0.00 H new ATOM 0 HD12 ILE B 52 5.115 -2.598 7.272 1.00 0.00 H new ATOM 0 HD13 ILE B 52 4.555 -2.055 8.872 1.00 0.00 H new ATOM 1649 N LYS B 53 8.843 1.585 6.827 1.00 0.00 N ATOM 1650 CA LYS B 53 10.110 2.238 7.115 1.00 0.00 C ATOM 1651 C LYS B 53 10.255 3.548 6.329 1.00 0.00 C ATOM 1652 O LYS B 53 10.635 4.566 6.905 1.00 0.00 O ATOM 1653 CB LYS B 53 11.254 1.258 6.817 1.00 0.00 C ATOM 1654 CG LYS B 53 12.624 1.858 7.155 1.00 0.00 C ATOM 1655 CD LYS B 53 13.719 0.786 7.225 1.00 0.00 C ATOM 1656 CE LYS B 53 13.911 0.052 5.895 1.00 0.00 C ATOM 1657 NZ LYS B 53 15.044 -0.886 5.967 1.00 0.00 N ATOM 0 H LYS B 53 8.935 0.779 6.209 1.00 0.00 H new ATOM 0 HA LYS B 53 10.147 2.510 8.170 1.00 0.00 H new ATOM 0 HB2 LYS B 53 11.107 0.343 7.391 1.00 0.00 H new ATOM 0 HB3 LYS B 53 11.229 0.981 5.763 1.00 0.00 H new ATOM 0 HG2 LYS B 53 12.891 2.600 6.402 1.00 0.00 H new ATOM 0 HG3 LYS B 53 12.566 2.380 8.110 1.00 0.00 H new ATOM 0 HD2 LYS B 53 14.660 1.252 7.518 1.00 0.00 H new ATOM 0 HD3 LYS B 53 13.466 0.064 8.001 1.00 0.00 H new ATOM 0 HE2 LYS B 53 13.001 -0.491 5.641 1.00 0.00 H new ATOM 0 HE3 LYS B 53 14.084 0.775 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 14.992 -1.555 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 15.937 -0.356 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 15.004 -1.410 6.864 1.00 0.00 H new ATOM 1671 N LYS B 54 9.944 3.523 5.026 1.00 0.00 N ATOM 1672 CA LYS B 54 10.037 4.674 4.131 1.00 0.00 C ATOM 1673 C LYS B 54 8.863 5.643 4.310 1.00 0.00 C ATOM 1674 O LYS B 54 8.963 6.799 3.903 1.00 0.00 O ATOM 1675 CB LYS B 54 10.125 4.181 2.680 1.00 0.00 C ATOM 1676 CG LYS B 54 11.435 3.429 2.404 1.00 0.00 C ATOM 1677 CD LYS B 54 12.599 4.403 2.166 1.00 0.00 C ATOM 1678 CE LYS B 54 13.938 3.670 2.043 1.00 0.00 C ATOM 1679 NZ LYS B 54 14.369 3.107 3.335 1.00 0.00 N ATOM 0 H LYS B 54 9.613 2.679 4.558 1.00 0.00 H new ATOM 0 HA LYS B 54 10.939 5.231 4.383 1.00 0.00 H new ATOM 0 HB2 LYS B 54 9.280 3.526 2.468 1.00 0.00 H new ATOM 0 HB3 LYS B 54 10.046 5.032 2.003 1.00 0.00 H new ATOM 0 HG2 LYS B 54 11.668 2.779 3.248 1.00 0.00 H new ATOM 0 HG3 LYS B 54 11.311 2.787 1.532 1.00 0.00 H new ATOM 0 HD2 LYS B 54 12.414 4.976 1.257 1.00 0.00 H new ATOM 0 HD3 LYS B 54 12.650 5.117 2.988 1.00 0.00 H new ATOM 0 HE2 LYS B 54 13.849 2.870 1.308 1.00 0.00 H new ATOM 0 HE3 LYS B 54 14.698 4.359 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 15.349 2.768 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 14.314 3.842 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 13.748 2.313 3.592 1.00 0.00 H new ATOM 1693 N GLY B 55 7.772 5.185 4.934 1.00 0.00 N ATOM 1694 CA GLY B 55 6.607 5.986 5.254 1.00 0.00 C ATOM 1695 C GLY B 55 5.467 6.015 4.233 1.00 0.00 C ATOM 1696 O GLY B 55 4.624 6.899 4.369 1.00 0.00 O ATOM 0 H GLY B 55 7.682 4.215 5.236 1.00 0.00 H new ATOM 0 HA2 GLY B 55 6.202 5.627 6.200 1.00 0.00 H new ATOM 0 HA3 GLY B 55 6.938 7.011 5.417 1.00 0.00 H new ATOM 1700 N ALA B 56 5.386 5.118 3.232 1.00 0.00 N ATOM 1701 CA ALA B 56 4.234 5.144 2.328 1.00 0.00 C ATOM 1702 C ALA B 56 2.983 4.593 3.036 1.00 0.00 C ATOM 1703 O ALA B 56 1.881 5.068 2.774 1.00 0.00 O ATOM 1704 CB ALA B 56 4.547 4.382 1.042 1.00 0.00 C ATOM 0 H ALA B 56 6.078 4.395 3.037 1.00 0.00 H new ATOM 0 HA ALA B 56 4.023 6.177 2.050 1.00 0.00 H new ATOM 0 HB1 ALA B 56 3.680 4.411 0.382 1.00 0.00 H new ATOM 0 HB2 ALA B 56 5.399 4.844 0.543 1.00 0.00 H new ATOM 0 HB3 ALA B 56 4.785 3.346 1.282 1.00 0.00 H new ATOM 1710 N LEU B 57 3.149 3.606 3.931 1.00 0.00 N ATOM 1711 CA LEU B 57 2.087 3.000 4.730 1.00 0.00 C ATOM 1712 C LEU B 57 2.535 2.944 6.195 1.00 0.00 C ATOM 1713 O LEU B 57 3.711 3.150 6.478 1.00 0.00 O ATOM 1714 CB LEU B 57 1.828 1.563 4.267 1.00 0.00 C ATOM 1715 CG LEU B 57 1.378 1.379 2.810 1.00 0.00 C ATOM 1716 CD1 LEU B 57 1.164 -0.115 2.594 1.00 0.00 C ATOM 1717 CD2 LEU B 57 0.062 2.089 2.478 1.00 0.00 C ATOM 0 H LEU B 57 4.064 3.197 4.121 1.00 0.00 H new ATOM 0 HA LEU B 57 1.182 3.596 4.617 1.00 0.00 H new ATOM 0 HB2 LEU B 57 2.741 0.987 4.416 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.068 1.128 4.916 1.00 0.00 H new ATOM 0 HG LEU B 57 2.146 1.810 2.168 1.00 0.00 H new ATOM 0 HD11 LEU B 57 0.842 -0.292 1.568 1.00 0.00 H new ATOM 0 HD12 LEU B 57 2.098 -0.647 2.778 1.00 0.00 H new ATOM 0 HD13 LEU B 57 0.399 -0.476 3.281 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -0.192 1.914 1.433 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -0.732 1.699 3.114 1.00 0.00 H new ATOM 0 HD23 LEU B 57 0.173 3.160 2.650 1.00 0.00 H new ATOM 1729 N ASN B 58 1.597 2.725 7.129 1.00 0.00 N ATOM 1730 CA ASN B 58 1.873 2.566 8.553 1.00 0.00 C ATOM 1731 C ASN B 58 0.971 1.487 9.172 1.00 0.00 C ATOM 1732 O ASN B 58 -0.226 1.484 8.890 1.00 0.00 O ATOM 1733 CB ASN B 58 1.764 3.932 9.234 1.00 0.00 C ATOM 1734 CG ASN B 58 0.344 4.490 9.275 1.00 0.00 C ATOM 1735 OD1 ASN B 58 -0.098 5.136 8.328 1.00 0.00 O ATOM 1736 ND2 ASN B 58 -0.362 4.256 10.385 1.00 0.00 N ATOM 0 H ASN B 58 0.605 2.653 6.903 1.00 0.00 H new ATOM 0 HA ASN B 58 2.890 2.206 8.707 1.00 0.00 H new ATOM 0 HB2 ASN B 58 2.141 3.850 10.253 1.00 0.00 H new ATOM 0 HB3 ASN B 58 2.407 4.640 8.712 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -1.311 4.620 10.472 1.00 0.00 H new ATOM 0 HD22 ASN B 58 0.048 3.714 11.145 1.00 0.00 H new ATOM 1743 N HIS B 59 1.512 0.598 10.028 1.00 0.00 N ATOM 1744 CA HIS B 59 0.740 -0.459 10.677 1.00 0.00 C ATOM 1745 C HIS B 59 0.236 -0.037 12.064 1.00 0.00 C ATOM 1746 O HIS B 59 0.927 0.689 12.778 1.00 0.00 O ATOM 1747 CB HIS B 59 1.592 -1.738 10.746 1.00 0.00 C ATOM 1748 CG HIS B 59 2.966 -1.654 11.366 1.00 0.00 C ATOM 1749 ND1 HIS B 59 3.438 -0.534 12.050 1.00 0.00 N ATOM 1750 CD2 HIS B 59 3.943 -2.614 11.366 1.00 0.00 C ATOM 1751 CE1 HIS B 59 4.673 -0.864 12.439 1.00 0.00 C ATOM 1752 NE2 HIS B 59 5.023 -2.101 12.052 1.00 0.00 N ATOM 0 H HIS B 59 2.499 0.600 10.284 1.00 0.00 H new ATOM 0 HA HIS B 59 -0.151 -0.656 10.081 1.00 0.00 H new ATOM 0 HB2 HIS B 59 1.024 -2.486 11.299 1.00 0.00 H new ATOM 0 HB3 HIS B 59 1.709 -2.114 9.730 1.00 0.00 H new ATOM 0 HD1 HIS B 59 2.948 0.345 12.217 1.00 0.00 H new ATOM 0 HD2 HIS B 59 3.879 -3.592 10.912 1.00 0.00 H new ATOM 0 HE1 HIS B 59 5.319 -0.207 13.003 1.00 0.00 H new ATOM 1760 N HIS B 60 -0.985 -0.467 12.433 1.00 0.00 N ATOM 1761 CA HIS B 60 -1.593 -0.157 13.724 1.00 0.00 C ATOM 1762 C HIS B 60 -2.460 -1.322 14.201 1.00 0.00 C ATOM 1763 O HIS B 60 -3.311 -1.780 13.449 1.00 0.00 O ATOM 1764 CB HIS B 60 -2.442 1.115 13.591 1.00 0.00 C ATOM 1765 CG HIS B 60 -3.298 1.386 14.805 1.00 0.00 C ATOM 1766 ND1 HIS B 60 -4.672 1.141 14.795 1.00 0.00 N ATOM 1767 CD2 HIS B 60 -2.933 1.814 16.054 1.00 0.00 C ATOM 1768 CE1 HIS B 60 -5.081 1.440 16.031 1.00 0.00 C ATOM 1769 NE2 HIS B 60 -4.077 1.847 16.824 1.00 0.00 N ATOM 0 H HIS B 60 -1.575 -1.043 11.833 1.00 0.00 H new ATOM 0 HA HIS B 60 -0.806 0.006 14.460 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -1.784 1.967 13.420 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -3.083 1.026 12.714 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -1.936 2.077 16.376 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -6.108 1.363 16.357 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -4.146 2.126 17.803 1.00 0.00 H new ATOM 1777 N LYS B 61 -2.329 -1.720 15.476 1.00 0.00 N ATOM 1778 CA LYS B 61 -3.090 -2.816 16.068 1.00 0.00 C ATOM 1779 C LYS B 61 -4.460 -2.308 16.520 1.00 0.00 C ATOM 1780 O LYS B 61 -4.560 -1.385 17.326 1.00 0.00 O ATOM 1781 CB LYS B 61 -2.285 -3.477 17.199 1.00 0.00 C ATOM 1782 CG LYS B 61 -1.936 -2.552 18.374 1.00 0.00 C ATOM 1783 CD LYS B 61 -0.988 -3.272 19.340 1.00 0.00 C ATOM 1784 CE LYS B 61 -0.679 -2.422 20.577 1.00 0.00 C ATOM 1785 NZ LYS B 61 0.056 -1.193 20.235 1.00 0.00 N ATOM 0 H LYS B 61 -1.681 -1.279 16.129 1.00 0.00 H new ATOM 0 HA LYS B 61 -3.267 -3.593 15.324 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -2.853 -4.326 17.581 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -1.360 -3.874 16.782 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -1.468 -1.640 18.004 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -2.845 -2.255 18.897 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -1.435 -4.216 19.651 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -0.059 -3.514 18.824 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -1.611 -2.159 21.078 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -0.093 -3.010 21.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 0.333 -0.700 21.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 0.908 -1.438 19.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -0.553 -0.572 19.664 1.00 0.00 H new ATOM 1799 N GLU B 62 -5.512 -2.906 15.937 1.00 0.00 N ATOM 1800 CA GLU B 62 -6.906 -2.575 16.174 1.00 0.00 C ATOM 1801 C GLU B 62 -7.677 -3.846 16.547 1.00 0.00 C ATOM 1802 O GLU B 62 -8.400 -4.402 15.723 1.00 0.00 O ATOM 1803 CB GLU B 62 -7.464 -1.907 14.903 1.00 0.00 C ATOM 1804 CG GLU B 62 -8.825 -1.250 15.156 1.00 0.00 C ATOM 1805 CD GLU B 62 -9.360 -0.600 13.883 1.00 0.00 C ATOM 1806 OE1 GLU B 62 -9.018 0.582 13.659 1.00 0.00 O ATOM 1807 OE2 GLU B 62 -10.096 -1.298 13.152 1.00 0.00 O ATOM 0 H GLU B 62 -5.398 -3.662 15.262 1.00 0.00 H new ATOM 0 HA GLU B 62 -7.012 -1.879 17.006 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.758 -1.156 14.547 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -7.561 -2.652 14.114 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -9.534 -1.997 15.513 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -8.731 -0.499 15.941 1.00 0.00 H new ATOM 1814 N GLY B 63 -7.535 -4.270 17.811 1.00 0.00 N ATOM 1815 CA GLY B 63 -8.181 -5.427 18.421 1.00 0.00 C ATOM 1816 C GLY B 63 -8.274 -6.671 17.533 1.00 0.00 C ATOM 1817 O GLY B 63 -7.425 -7.557 17.611 1.00 0.00 O ATOM 0 H GLY B 63 -6.928 -3.781 18.469 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -7.637 -5.689 19.329 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -9.188 -5.142 18.724 1.00 0.00 H new ATOM 1821 N ARG B 64 -9.333 -6.727 16.714 1.00 0.00 N ATOM 1822 CA ARG B 64 -9.662 -7.820 15.807 1.00 0.00 C ATOM 1823 C ARG B 64 -8.501 -8.220 14.893 1.00 0.00 C ATOM 1824 O ARG B 64 -8.140 -9.394 14.841 1.00 0.00 O ATOM 1825 CB ARG B 64 -10.886 -7.441 14.969 1.00 0.00 C ATOM 1826 CG ARG B 64 -12.114 -7.198 15.855 1.00 0.00 C ATOM 1827 CD ARG B 64 -13.383 -7.163 15.001 1.00 0.00 C ATOM 1828 NE ARG B 64 -13.320 -6.129 13.958 1.00 0.00 N ATOM 1829 CZ ARG B 64 -13.459 -4.807 14.159 1.00 0.00 C ATOM 1830 NH1 ARG B 64 -13.729 -4.311 15.376 1.00 0.00 N ATOM 1831 NH2 ARG B 64 -13.322 -3.968 13.123 1.00 0.00 N ATOM 0 H ARG B 64 -10.014 -5.969 16.669 1.00 0.00 H new ATOM 0 HA ARG B 64 -9.880 -8.691 16.425 1.00 0.00 H new ATOM 0 HB2 ARG B 64 -10.669 -6.543 14.390 1.00 0.00 H new ATOM 0 HB3 ARG B 64 -11.101 -8.236 14.255 1.00 0.00 H new ATOM 0 HG2 ARG B 64 -12.193 -7.986 16.604 1.00 0.00 H new ATOM 0 HG3 ARG B 64 -12.003 -6.257 16.393 1.00 0.00 H new ATOM 0 HD2 ARG B 64 -13.533 -8.137 14.536 1.00 0.00 H new ATOM 0 HD3 ARG B 64 -14.245 -6.979 15.642 1.00 0.00 H new ATOM 0 HE ARG B 64 -13.157 -6.441 13.001 1.00 0.00 H new ATOM 0 HH11 ARG B 64 -13.833 -4.941 16.172 1.00 0.00 H new ATOM 0 HH12 ARG B 64 -13.830 -3.304 15.505 1.00 0.00 H new ATOM 0 HH21 ARG B 64 -13.114 -4.334 12.194 1.00 0.00 H new ATOM 0 HH22 ARG B 64 -13.425 -2.963 13.264 1.00 0.00 H new ATOM 1845 N VAL B 65 -7.928 -7.253 14.166 1.00 0.00 N ATOM 1846 CA VAL B 65 -6.862 -7.377 13.241 1.00 0.00 C ATOM 1847 C VAL B 65 -6.192 -6.006 13.254 1.00 0.00 C ATOM 1848 O VAL B 65 -6.847 -4.982 13.448 1.00 0.00 O ATOM 1849 CB VAL B 65 -7.429 -7.659 11.825 1.00 0.00 C ATOM 1850 CG1 VAL B 65 -7.702 -9.146 11.573 1.00 0.00 C ATOM 1851 CG2 VAL B 65 -8.691 -6.849 11.485 1.00 0.00 C ATOM 0 H VAL B 65 -8.249 -6.287 14.238 1.00 0.00 H new ATOM 0 HA VAL B 65 -6.178 -8.187 13.494 1.00 0.00 H new ATOM 0 HB VAL B 65 -6.631 -7.329 11.160 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -8.097 -9.278 10.566 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.774 -9.709 11.675 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -8.429 -9.510 12.299 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -9.026 -7.102 10.479 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -9.479 -7.086 12.200 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -8.464 -5.784 11.534 1.00 0.00 H new ATOM 1861 N PHE B 66 -4.888 -5.985 13.009 1.00 0.00 N ATOM 1862 CA PHE B 66 -4.132 -4.767 12.860 1.00 0.00 C ATOM 1863 C PHE B 66 -4.400 -4.355 11.425 1.00 0.00 C ATOM 1864 O PHE B 66 -4.768 -5.185 10.593 1.00 0.00 O ATOM 1865 CB PHE B 66 -2.634 -4.965 13.090 1.00 0.00 C ATOM 1866 CG PHE B 66 -1.840 -5.061 11.799 1.00 0.00 C ATOM 1867 CD1 PHE B 66 -2.125 -6.094 10.895 1.00 0.00 C ATOM 1868 CD2 PHE B 66 -1.230 -3.887 11.324 1.00 0.00 C ATOM 1869 CE1 PHE B 66 -2.037 -5.863 9.530 1.00 0.00 C ATOM 1870 CE2 PHE B 66 -1.089 -3.682 9.946 1.00 0.00 C ATOM 1871 CZ PHE B 66 -1.596 -4.635 9.057 1.00 0.00 C ATOM 0 H PHE B 66 -4.326 -6.830 12.908 1.00 0.00 H new ATOM 0 HA PHE B 66 -4.428 -4.020 13.596 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -2.251 -4.135 13.684 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -2.479 -5.873 13.673 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -2.413 -7.069 11.261 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -0.871 -3.144 12.021 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.312 -6.641 8.833 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.594 -2.797 9.574 1.00 0.00 H new ATOM 0 HZ PHE B 66 -1.644 -4.415 8.001 1.00 0.00 H new ATOM 1881 N VAL B 67 -4.323 -3.063 11.156 1.00 0.00 N ATOM 1882 CA VAL B 67 -4.590 -2.572 9.838 1.00 0.00 C ATOM 1883 C VAL B 67 -3.431 -1.734 9.325 1.00 0.00 C ATOM 1884 O VAL B 67 -2.934 -0.851 10.022 1.00 0.00 O ATOM 1885 CB VAL B 67 -5.934 -1.843 9.927 1.00 0.00 C ATOM 1886 CG1 VAL B 67 -6.345 -1.194 8.611 1.00 0.00 C ATOM 1887 CG2 VAL B 67 -6.993 -2.880 10.335 1.00 0.00 C ATOM 0 H VAL B 67 -4.078 -2.346 11.839 1.00 0.00 H new ATOM 0 HA VAL B 67 -4.673 -3.365 9.095 1.00 0.00 H new ATOM 0 HB VAL B 67 -5.844 -1.038 10.656 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -7.305 -0.693 8.737 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -5.591 -0.465 8.314 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -6.433 -1.959 7.840 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -7.967 -2.396 10.409 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -7.036 -3.670 9.585 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -6.728 -3.310 11.301 1.00 0.00 H new ATOM 1897 N TYR B 68 -3.122 -1.955 8.041 1.00 0.00 N ATOM 1898 CA TYR B 68 -2.105 -1.161 7.359 1.00 0.00 C ATOM 1899 C TYR B 68 -2.947 -0.058 6.721 1.00 0.00 C ATOM 1900 O TYR B 68 -3.860 -0.318 5.936 1.00 0.00 O ATOM 1901 CB TYR B 68 -1.480 -1.881 6.139 1.00 0.00 C ATOM 1902 CG TYR B 68 -0.556 -3.057 6.358 1.00 0.00 C ATOM 1903 CD1 TYR B 68 0.578 -2.932 7.179 1.00 0.00 C ATOM 1904 CD2 TYR B 68 -0.828 -4.288 5.724 1.00 0.00 C ATOM 1905 CE1 TYR B 68 1.327 -4.074 7.517 1.00 0.00 C ATOM 1906 CE2 TYR B 68 -0.058 -5.419 6.038 1.00 0.00 C ATOM 1907 CZ TYR B 68 0.988 -5.324 6.972 1.00 0.00 C ATOM 1908 OH TYR B 68 1.673 -6.441 7.353 1.00 0.00 O ATOM 0 H TYR B 68 -3.560 -2.672 7.462 1.00 0.00 H new ATOM 0 HA TYR B 68 -1.310 -0.891 8.054 1.00 0.00 H new ATOM 0 HB2 TYR B 68 -2.300 -2.224 5.508 1.00 0.00 H new ATOM 0 HB3 TYR B 68 -0.928 -1.135 5.568 1.00 0.00 H new ATOM 0 HD1 TYR B 68 0.874 -1.962 7.550 1.00 0.00 H new ATOM 0 HD2 TYR B 68 -1.626 -4.360 5.000 1.00 0.00 H new ATOM 0 HE1 TYR B 68 2.163 -3.990 8.196 1.00 0.00 H new ATOM 0 HE2 TYR B 68 -0.270 -6.364 5.561 1.00 0.00 H new ATOM 0 HH TYR B 68 1.990 -6.332 8.274 1.00 0.00 H new ATOM 1918 N THR B 69 -2.623 1.181 7.107 1.00 0.00 N ATOM 1919 CA THR B 69 -3.305 2.389 6.681 1.00 0.00 C ATOM 1920 C THR B 69 -2.353 3.205 5.810 1.00 0.00 C ATOM 1921 O THR B 69 -1.184 3.346 6.165 1.00 0.00 O ATOM 1922 CB THR B 69 -3.767 3.197 7.905 1.00 0.00 C ATOM 1923 OG1 THR B 69 -2.661 3.591 8.684 1.00 0.00 O ATOM 1924 CG2 THR B 69 -4.729 2.404 8.796 1.00 0.00 C ATOM 0 H THR B 69 -1.851 1.367 7.747 1.00 0.00 H new ATOM 0 HA THR B 69 -4.192 2.135 6.101 1.00 0.00 H new ATOM 0 HB THR B 69 -4.291 4.071 7.518 1.00 0.00 H new ATOM 0 HG1 THR B 69 -2.118 4.232 8.180 1.00 0.00 H new ATOM 0 HG21 THR B 69 -5.026 3.017 9.647 1.00 0.00 H new ATOM 0 HG22 THR B 69 -5.613 2.127 8.221 1.00 0.00 H new ATOM 0 HG23 THR B 69 -4.233 1.502 9.155 1.00 0.00 H new ATOM 1932 N PRO B 70 -2.824 3.745 4.675 1.00 0.00 N ATOM 1933 CA PRO B 70 -1.991 4.518 3.780 1.00 0.00 C ATOM 1934 C PRO B 70 -1.688 5.899 4.357 1.00 0.00 C ATOM 1935 O PRO B 70 -2.586 6.711 4.573 1.00 0.00 O ATOM 1936 CB PRO B 70 -2.728 4.546 2.440 1.00 0.00 C ATOM 1937 CG PRO B 70 -4.187 4.451 2.870 1.00 0.00 C ATOM 1938 CD PRO B 70 -4.148 3.561 4.109 1.00 0.00 C ATOM 0 HA PRO B 70 -1.006 4.073 3.642 1.00 0.00 H new ATOM 0 HB2 PRO B 70 -2.527 5.462 1.884 1.00 0.00 H new ATOM 0 HB3 PRO B 70 -2.438 3.714 1.799 1.00 0.00 H new ATOM 0 HG2 PRO B 70 -4.601 5.433 3.097 1.00 0.00 H new ATOM 0 HG3 PRO B 70 -4.807 4.017 2.086 1.00 0.00 H new ATOM 0 HD2 PRO B 70 -4.923 3.845 4.821 1.00 0.00 H new ATOM 0 HD3 PRO B 70 -4.322 2.517 3.848 1.00 0.00 H new ATOM 1946 N ASN B 71 -0.395 6.136 4.609 1.00 0.00 N ATOM 1947 CA ASN B 71 0.157 7.371 5.142 1.00 0.00 C ATOM 1948 C ASN B 71 -0.094 8.546 4.194 1.00 0.00 C ATOM 1949 O ASN B 71 -0.222 9.686 4.639 1.00 0.00 O ATOM 1950 CB ASN B 71 1.668 7.180 5.300 1.00 0.00 C ATOM 1951 CG ASN B 71 2.314 8.338 6.055 1.00 0.00 C ATOM 1952 OD1 ASN B 71 2.851 9.259 5.442 1.00 0.00 O ATOM 1953 ND2 ASN B 71 2.265 8.292 7.389 1.00 0.00 N ATOM 0 H ASN B 71 0.323 5.433 4.436 1.00 0.00 H new ATOM 0 HA ASN B 71 -0.322 7.594 6.096 1.00 0.00 H new ATOM 0 HB2 ASN B 71 1.862 6.248 5.831 1.00 0.00 H new ATOM 0 HB3 ASN B 71 2.127 7.088 4.316 1.00 0.00 H new ATOM 0 HD21 ASN B 71 2.684 9.041 7.941 1.00 0.00 H new ATOM 0 HD22 ASN B 71 1.809 7.508 7.856 1.00 0.00 H new ATOM 1960 N ILE B 72 -0.169 8.245 2.891 1.00 0.00 N ATOM 1961 CA ILE B 72 -0.349 9.189 1.805 1.00 0.00 C ATOM 1962 C ILE B 72 -1.733 8.965 1.185 1.00 0.00 C ATOM 1963 O ILE B 72 -2.029 7.897 0.652 1.00 0.00 O ATOM 1964 CB ILE B 72 0.813 9.015 0.802 1.00 0.00 C ATOM 1965 CG1 ILE B 72 1.154 7.534 0.545 1.00 0.00 C ATOM 1966 CG2 ILE B 72 2.075 9.698 1.357 1.00 0.00 C ATOM 1967 CD1 ILE B 72 1.957 7.321 -0.737 1.00 0.00 C ATOM 0 H ILE B 72 -0.101 7.283 2.559 1.00 0.00 H new ATOM 0 HA ILE B 72 -0.319 10.222 2.151 1.00 0.00 H new ATOM 0 HB ILE B 72 0.491 9.465 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE B 72 1.721 7.145 1.391 1.00 0.00 H new ATOM 0 HG13 ILE B 72 0.230 6.958 0.488 1.00 0.00 H new ATOM 0 HG21 ILE B 72 2.896 9.576 0.650 1.00 0.00 H new ATOM 0 HG22 ILE B 72 1.879 10.760 1.505 1.00 0.00 H new ATOM 0 HG23 ILE B 72 2.346 9.243 2.310 1.00 0.00 H new ATOM 0 HD11 ILE B 72 2.166 6.259 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE B 72 1.382 7.681 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE B 72 2.896 7.871 -0.674 1.00 0.00 H new