USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1087 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: A 11 LYS NZ :NH3+ 151:sc= -1.39 (180deg=-1.27) USER MOD Set 1.2: B 108 GLN : amide:sc= -1.22 K(o=-2.6,f=-0.38) USER MOD Set 2.1: A 45 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 148:sc= 0.0528 (180deg=-0.075) USER MOD Set 3.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 TYR OH : rot 127:sc= 1.14 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0155) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.32 (180deg=1.02) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00859) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= 0.199 (180deg=-2.9!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.315 K(o=-0.31,f=-4.8!) USER MOD Single : A 41 GLN : amide:sc= -1.98! C(o=-2!,f=-10!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.2) USER MOD Single : A 50 MET CE :methyl -144:sc= -0.118 (180deg=-3.36!) USER MOD Single : A 51 ASN : amide:sc= -2.61! K(o=-2.6!,f=0.024) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.16 USER MOD Single : A 65 SER OG : rot 76:sc= 0.294 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 THR OG1 : rot 81:sc= -0.122 USER MOD Single : B 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 101 HIS : no HE2:sc= -4.6! C(o=-4.6!,f=-9.3!) USER MOD Single : B 102 LYS NZ :NH3+ 170:sc= 0.908 (180deg=0.713) USER MOD Single : B 112 TYR OH : rot 150:sc= 0.0806 USER MOD Single : B 113 CYS SG : rot -43:sc= -0.114 USER MOD Single : B 117 ASN : amide:sc= -9.34! C(o=-9.3!,f=-3.7!) USER MOD Single : B 118 GLN : amide:sc= -7.36! C(o=-7.4!,f=-5.1!) USER MOD Single : B 120 SER OG : rot -140:sc= 0 USER MOD Single : B 125 SER OG : rot 180:sc= -0.0352 USER MOD Single : B 127 ASN : amide:sc= -1.39 K(o=-1.4,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.248 5.455 14.365 1.00 0.00 N ATOM 2 CA MET A 1 -11.442 4.053 13.910 1.00 0.00 C ATOM 3 C MET A 1 -10.302 3.614 12.996 1.00 0.00 C ATOM 4 O MET A 1 -9.717 4.435 12.284 1.00 0.00 O ATOM 5 CB MET A 1 -12.779 3.910 13.175 1.00 0.00 C ATOM 6 CG MET A 1 -13.992 3.902 14.097 1.00 0.00 C ATOM 7 SD MET A 1 -14.216 5.457 14.988 1.00 0.00 S ATOM 8 CE MET A 1 -14.990 6.478 13.733 1.00 0.00 C ATOM 0 H1 MET A 1 -12.091 5.770 14.887 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.416 5.506 14.987 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.101 6.071 13.540 1.00 0.00 H new ATOM 0 HA MET A 1 -11.448 3.412 14.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.881 4.730 12.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.768 2.986 12.597 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.886 3.695 13.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.889 3.090 14.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.139 7.485 14.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.349 6.521 12.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.954 6.049 13.459 1.00 0.00 H new ATOM 20 N LEU A 2 -9.998 2.313 13.028 1.00 0.00 N ATOM 21 CA LEU A 2 -8.929 1.739 12.209 1.00 0.00 C ATOM 22 C LEU A 2 -9.441 0.551 11.403 1.00 0.00 C ATOM 23 O LEU A 2 -10.296 -0.203 11.871 1.00 0.00 O ATOM 24 CB LEU A 2 -7.751 1.304 13.092 1.00 0.00 C ATOM 25 CG LEU A 2 -6.977 2.439 13.775 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.609 2.802 15.113 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.518 2.050 13.963 1.00 0.00 C ATOM 0 H LEU A 2 -10.481 1.635 13.617 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.587 2.507 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.127 0.631 13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.054 0.731 12.480 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.023 3.317 13.130 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.041 3.609 15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.637 3.127 14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.601 1.930 15.767 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.983 2.866 14.449 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.457 1.156 14.584 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.067 1.849 12.991 1.00 0.00 H new ATOM 39 N ILE A 3 -8.907 0.397 10.188 1.00 0.00 N ATOM 40 CA ILE A 3 -9.296 -0.699 9.293 1.00 0.00 C ATOM 41 C ILE A 3 -8.085 -1.247 8.531 1.00 0.00 C ATOM 42 O ILE A 3 -7.086 -0.543 8.356 1.00 0.00 O ATOM 43 CB ILE A 3 -10.411 -0.283 8.286 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.152 1.112 7.679 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.770 -0.318 8.976 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.478 1.207 6.203 1.00 0.00 C ATOM 0 H ILE A 3 -8.200 1.021 9.799 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.703 -1.484 9.931 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.401 -0.999 7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.745 1.849 8.221 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.104 1.374 7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.545 -0.026 8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.969 -1.327 9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.769 0.374 9.818 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.270 2.217 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.867 0.495 5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.532 0.978 6.048 1.00 0.00 H new ATOM 58 N LYS A 4 -8.192 -2.502 8.083 1.00 0.00 N ATOM 59 CA LYS A 4 -7.108 -3.162 7.349 1.00 0.00 C ATOM 60 C LYS A 4 -7.560 -3.584 5.956 1.00 0.00 C ATOM 61 O LYS A 4 -8.628 -4.183 5.797 1.00 0.00 O ATOM 62 CB LYS A 4 -6.604 -4.392 8.119 1.00 0.00 C ATOM 63 CG LYS A 4 -5.860 -4.070 9.421 1.00 0.00 C ATOM 64 CD LYS A 4 -6.808 -3.871 10.606 1.00 0.00 C ATOM 65 CE LYS A 4 -7.144 -5.187 11.301 1.00 0.00 C ATOM 66 NZ LYS A 4 -8.031 -4.982 12.480 1.00 0.00 N1+ ATOM 0 H LYS A 4 -9.020 -3.082 8.216 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.296 -2.442 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.455 -5.033 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.942 -4.964 7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.165 -4.879 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.264 -3.168 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.352 -3.189 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.728 -3.400 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.631 -5.858 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.223 -5.675 11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.126 -5.876 13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.618 -4.259 13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.969 -4.668 12.158 1.00 0.00 H new ATOM 80 N VAL A 5 -6.736 -3.264 4.952 1.00 0.00 N ATOM 81 CA VAL A 5 -7.028 -3.615 3.556 1.00 0.00 C ATOM 82 C VAL A 5 -6.161 -4.803 3.128 1.00 0.00 C ATOM 83 O VAL A 5 -5.029 -4.948 3.593 1.00 0.00 O ATOM 84 CB VAL A 5 -6.793 -2.419 2.580 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.426 -2.682 1.216 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.332 -1.115 3.156 1.00 0.00 C ATOM 0 H VAL A 5 -5.858 -2.761 5.080 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.084 -3.880 3.503 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.715 -2.322 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.244 -1.830 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.986 -3.578 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.500 -2.826 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.152 -0.304 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.403 -1.211 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.827 -0.897 4.097 1.00 0.00 H new ATOM 96 N LYS A 6 -6.706 -5.637 2.238 1.00 0.00 N ATOM 97 CA LYS A 6 -5.998 -6.814 1.738 1.00 0.00 C ATOM 98 C LYS A 6 -5.610 -6.627 0.271 1.00 0.00 C ATOM 99 O LYS A 6 -6.469 -6.373 -0.581 1.00 0.00 O ATOM 100 CB LYS A 6 -6.870 -8.066 1.906 1.00 0.00 C ATOM 101 CG LYS A 6 -6.077 -9.342 2.158 1.00 0.00 C ATOM 102 CD LYS A 6 -6.994 -10.542 2.332 1.00 0.00 C ATOM 103 CE LYS A 6 -6.204 -11.813 2.597 1.00 0.00 C ATOM 104 NZ LYS A 6 -7.094 -12.993 2.776 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.641 -5.516 1.848 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.085 -6.942 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.559 -7.908 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.476 -8.198 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.397 -9.520 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.463 -9.220 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.680 -10.360 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.601 -10.670 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.521 -11.996 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.592 -11.681 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.517 -13.839 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.728 -12.830 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.659 -13.135 1.915 1.00 0.00 H new ATOM 118 N THR A 7 -4.307 -6.750 -0.008 1.00 0.00 N ATOM 119 CA THR A 7 -3.776 -6.604 -1.363 1.00 0.00 C ATOM 120 C THR A 7 -3.659 -7.967 -2.055 1.00 0.00 C ATOM 121 O THR A 7 -3.608 -9.009 -1.392 1.00 0.00 O ATOM 122 CB THR A 7 -2.393 -5.907 -1.357 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.237 -5.106 -0.177 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.228 -5.017 -2.577 1.00 0.00 C ATOM 0 H THR A 7 -3.597 -6.952 0.696 1.00 0.00 H new ATOM 0 HA THR A 7 -4.478 -5.980 -1.917 1.00 0.00 H new ATOM 0 HB THR A 7 -1.633 -6.688 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.837 -5.647 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.249 -4.539 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.312 -5.620 -3.481 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.005 -4.252 -2.577 1.00 0.00 H new ATOM 132 N LEU A 8 -3.594 -7.942 -3.396 1.00 0.00 N ATOM 133 CA LEU A 8 -3.491 -9.163 -4.217 1.00 0.00 C ATOM 134 C LEU A 8 -2.132 -9.868 -4.053 1.00 0.00 C ATOM 135 O LEU A 8 -1.976 -11.021 -4.464 1.00 0.00 O ATOM 136 CB LEU A 8 -3.729 -8.809 -5.694 1.00 0.00 C ATOM 137 CG LEU A 8 -4.241 -9.952 -6.585 1.00 0.00 C ATOM 138 CD1 LEU A 8 -5.216 -9.419 -7.623 1.00 0.00 C ATOM 139 CD2 LEU A 8 -3.079 -10.661 -7.269 1.00 0.00 C ATOM 0 H LEU A 8 -3.611 -7.080 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.255 -9.860 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.446 -7.989 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.794 -8.438 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.761 -10.672 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.569 -10.241 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.064 -8.954 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.714 -8.680 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.462 -11.467 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.532 -9.950 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.410 -11.075 -6.514 1.00 0.00 H new ATOM 151 N THR A 9 -1.163 -9.170 -3.443 1.00 0.00 N ATOM 152 CA THR A 9 0.180 -9.719 -3.216 1.00 0.00 C ATOM 153 C THR A 9 0.245 -10.529 -1.909 1.00 0.00 C ATOM 154 O THR A 9 1.206 -11.274 -1.688 1.00 0.00 O ATOM 155 CB THR A 9 1.251 -8.599 -3.174 1.00 0.00 C ATOM 156 OG1 THR A 9 0.845 -7.489 -3.986 1.00 0.00 O ATOM 157 CG2 THR A 9 2.603 -9.107 -3.671 1.00 0.00 C ATOM 0 H THR A 9 -1.287 -8.219 -3.097 1.00 0.00 H new ATOM 0 HA THR A 9 0.391 -10.382 -4.055 1.00 0.00 H new ATOM 0 HB THR A 9 1.351 -8.282 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.530 -6.789 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.333 -8.299 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.937 -9.930 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.505 -9.455 -4.699 1.00 0.00 H new ATOM 165 N GLY A 10 -0.780 -10.375 -1.057 1.00 0.00 N ATOM 166 CA GLY A 10 -0.829 -11.092 0.213 1.00 0.00 C ATOM 167 C GLY A 10 -0.280 -10.276 1.373 1.00 0.00 C ATOM 168 O GLY A 10 0.408 -10.816 2.244 1.00 0.00 O ATOM 0 H GLY A 10 -1.578 -9.763 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.861 -11.371 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.260 -12.017 0.125 1.00 0.00 H new ATOM 172 N LYS A 11 -0.590 -8.975 1.375 1.00 0.00 N ATOM 173 CA LYS A 11 -0.137 -8.056 2.421 1.00 0.00 C ATOM 174 C LYS A 11 -1.282 -7.143 2.852 1.00 0.00 C ATOM 175 O LYS A 11 -1.937 -6.524 2.010 1.00 0.00 O ATOM 176 CB LYS A 11 1.039 -7.213 1.908 1.00 0.00 C ATOM 177 CG LYS A 11 2.073 -6.877 2.979 1.00 0.00 C ATOM 178 CD LYS A 11 3.221 -6.035 2.418 1.00 0.00 C ATOM 179 CE LYS A 11 4.375 -6.892 1.896 1.00 0.00 C ATOM 180 NZ LYS A 11 4.014 -7.625 0.648 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.160 -8.532 0.654 1.00 0.00 H new ATOM 0 HA LYS A 11 0.192 -8.639 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.532 -7.750 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.652 -6.285 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.590 -6.336 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.472 -7.799 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.845 -5.406 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.591 -5.367 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.239 -6.256 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.669 -7.608 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.868 -7.776 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.595 -8.545 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.326 -7.066 0.104 1.00 0.00 H new ATOM 194 N GLU A 12 -1.527 -7.073 4.167 1.00 0.00 N ATOM 195 CA GLU A 12 -2.587 -6.223 4.714 1.00 0.00 C ATOM 196 C GLU A 12 -2.047 -4.829 5.049 1.00 0.00 C ATOM 197 O GLU A 12 -1.130 -4.693 5.860 1.00 0.00 O ATOM 198 CB GLU A 12 -3.206 -6.864 5.965 1.00 0.00 C ATOM 199 CG GLU A 12 -4.118 -8.046 5.666 1.00 0.00 C ATOM 200 CD GLU A 12 -4.730 -8.642 6.919 1.00 0.00 C ATOM 201 OE1 GLU A 12 -5.823 -8.188 7.319 1.00 0.00 O ATOM 202 OE2 GLU A 12 -4.117 -9.562 7.499 1.00 0.00 O1- ATOM 0 H GLU A 12 -1.004 -7.596 4.870 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.362 -6.122 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.405 -7.194 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.774 -6.107 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.914 -7.725 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.550 -8.815 5.142 1.00 0.00 H new ATOM 209 N ILE A 13 -2.645 -3.798 4.425 1.00 0.00 N ATOM 210 CA ILE A 13 -2.250 -2.395 4.638 1.00 0.00 C ATOM 211 C ILE A 13 -3.044 -1.839 5.843 1.00 0.00 C ATOM 212 O ILE A 13 -4.193 -2.239 6.062 1.00 0.00 O ATOM 213 CB ILE A 13 -2.576 -1.525 3.381 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.855 -2.084 2.139 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.211 -0.049 3.599 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.637 -1.908 0.848 1.00 0.00 C ATOM 0 H ILE A 13 -3.412 -3.914 3.762 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.176 -2.356 4.822 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.652 -1.574 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.888 -1.590 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.657 -3.145 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.453 0.522 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.777 0.345 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.144 0.035 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.067 -2.325 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.593 -2.425 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.813 -0.847 0.671 1.00 0.00 H new ATOM 228 N GLU A 14 -2.434 -0.927 6.606 1.00 0.00 N ATOM 229 CA GLU A 14 -3.087 -0.334 7.778 1.00 0.00 C ATOM 230 C GLU A 14 -3.449 1.130 7.531 1.00 0.00 C ATOM 231 O GLU A 14 -2.591 1.933 7.155 1.00 0.00 O ATOM 232 CB GLU A 14 -2.184 -0.447 9.012 1.00 0.00 C ATOM 233 CG GLU A 14 -2.082 -1.858 9.574 1.00 0.00 C ATOM 234 CD GLU A 14 -1.180 -1.937 10.790 1.00 0.00 C ATOM 235 OE1 GLU A 14 0.035 -2.164 10.614 1.00 0.00 O1- ATOM 236 OE2 GLU A 14 -1.690 -1.773 11.918 1.00 0.00 O ATOM 0 H GLU A 14 -1.489 -0.583 6.434 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.008 -0.889 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.185 -0.097 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.563 0.217 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.078 -2.212 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.703 -2.527 8.801 1.00 0.00 H new ATOM 243 N ILE A 15 -4.728 1.462 7.746 1.00 0.00 N ATOM 244 CA ILE A 15 -5.225 2.833 7.560 1.00 0.00 C ATOM 245 C ILE A 15 -6.281 3.199 8.589 1.00 0.00 C ATOM 246 O ILE A 15 -6.867 2.323 9.233 1.00 0.00 O ATOM 247 CB ILE A 15 -5.821 3.099 6.151 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.347 1.816 5.477 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.785 3.791 5.291 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.525 2.053 4.547 1.00 0.00 C ATOM 0 H ILE A 15 -5.440 0.798 8.050 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.339 3.455 7.684 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.687 3.750 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.537 1.355 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.642 1.106 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.201 3.979 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.503 4.738 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.904 3.155 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.840 1.105 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.352 2.486 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.229 2.738 3.753 1.00 0.00 H new ATOM 262 N ASP A 16 -6.514 4.510 8.735 1.00 0.00 N ATOM 263 CA ASP A 16 -7.507 5.013 9.672 1.00 0.00 C ATOM 264 C ASP A 16 -8.449 6.020 9.003 1.00 0.00 C ATOM 265 O ASP A 16 -8.021 7.093 8.566 1.00 0.00 O ATOM 266 CB ASP A 16 -6.834 5.626 10.919 1.00 0.00 C ATOM 267 CG ASP A 16 -5.788 6.688 10.597 1.00 0.00 C ATOM 268 OD1 ASP A 16 -4.605 6.327 10.435 1.00 0.00 O1- ATOM 269 OD2 ASP A 16 -6.159 7.878 10.511 1.00 0.00 O ATOM 0 H ASP A 16 -6.024 5.236 8.212 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.110 4.165 9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.602 6.067 11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.363 4.829 11.495 1.00 0.00 H new ATOM 274 N ILE A 17 -9.734 5.648 8.924 1.00 0.00 N ATOM 275 CA ILE A 17 -10.768 6.500 8.316 1.00 0.00 C ATOM 276 C ILE A 17 -12.110 6.348 9.044 1.00 0.00 C ATOM 277 O ILE A 17 -12.311 5.384 9.791 1.00 0.00 O ATOM 278 CB ILE A 17 -10.959 6.218 6.788 1.00 0.00 C ATOM 279 CG1 ILE A 17 -11.062 4.710 6.470 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.825 6.844 5.989 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.483 4.182 6.470 1.00 0.00 C ATOM 0 H ILE A 17 -10.085 4.757 9.276 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.417 7.526 8.422 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.906 6.673 6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.614 4.522 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.477 4.153 7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.971 6.640 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.816 7.922 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.875 6.420 6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.475 3.117 6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.929 4.337 7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.068 4.712 5.719 1.00 0.00 H new ATOM 293 N GLU A 18 -13.019 7.305 8.816 1.00 0.00 N ATOM 294 CA GLU A 18 -14.346 7.288 9.437 1.00 0.00 C ATOM 295 C GLU A 18 -15.384 6.638 8.501 1.00 0.00 C ATOM 296 O GLU A 18 -15.163 6.601 7.287 1.00 0.00 O ATOM 297 CB GLU A 18 -14.785 8.714 9.795 1.00 0.00 C ATOM 298 CG GLU A 18 -14.071 9.292 11.008 1.00 0.00 C ATOM 299 CD GLU A 18 -14.523 10.703 11.333 1.00 0.00 C ATOM 300 OE1 GLU A 18 -13.917 11.657 10.802 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -15.482 10.853 12.118 1.00 0.00 O ATOM 0 H GLU A 18 -12.856 8.104 8.203 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.284 6.694 10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.609 9.364 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.859 8.717 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.249 8.650 11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.996 9.291 10.827 1.00 0.00 H new ATOM 308 N PRO A 19 -16.539 6.114 9.035 1.00 0.00 N ATOM 309 CA PRO A 19 -17.584 5.474 8.201 1.00 0.00 C ATOM 310 C PRO A 19 -18.390 6.475 7.361 1.00 0.00 C ATOM 311 O PRO A 19 -19.123 6.076 6.449 1.00 0.00 O ATOM 312 CB PRO A 19 -18.510 4.789 9.222 1.00 0.00 C ATOM 313 CG PRO A 19 -17.802 4.866 10.533 1.00 0.00 C ATOM 314 CD PRO A 19 -16.931 6.083 10.461 1.00 0.00 C ATOM 0 HA PRO A 19 -17.135 4.793 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.477 5.290 9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.702 3.753 8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.512 4.943 11.356 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.207 3.970 10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.469 6.985 10.753 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.065 6.001 11.118 1.00 0.00 H new ATOM 322 N THR A 20 -18.242 7.770 7.677 1.00 0.00 N ATOM 323 CA THR A 20 -18.952 8.846 6.967 1.00 0.00 C ATOM 324 C THR A 20 -18.181 9.332 5.734 1.00 0.00 C ATOM 325 O THR A 20 -18.685 10.156 4.964 1.00 0.00 O ATOM 326 CB THR A 20 -19.218 10.051 7.896 1.00 0.00 C ATOM 327 OG1 THR A 20 -18.005 10.449 8.547 1.00 0.00 O ATOM 328 CG2 THR A 20 -20.273 9.714 8.939 1.00 0.00 C ATOM 0 H THR A 20 -17.632 8.100 8.425 1.00 0.00 H new ATOM 0 HA THR A 20 -19.900 8.419 6.641 1.00 0.00 H new ATOM 0 HB THR A 20 -19.588 10.874 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.184 11.214 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.441 10.580 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 20 -21.204 9.445 8.441 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.931 8.875 9.545 1.00 0.00 H new ATOM 336 N ASP A 21 -16.960 8.807 5.555 1.00 0.00 N ATOM 337 CA ASP A 21 -16.100 9.172 4.422 1.00 0.00 C ATOM 338 C ASP A 21 -16.490 8.406 3.154 1.00 0.00 C ATOM 339 O ASP A 21 -17.094 7.332 3.229 1.00 0.00 O ATOM 340 CB ASP A 21 -14.630 8.904 4.763 1.00 0.00 C ATOM 341 CG ASP A 21 -14.066 9.919 5.740 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.586 10.978 5.284 1.00 0.00 O ATOM 343 OD2 ASP A 21 -14.105 9.654 6.959 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.544 8.123 6.187 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.237 10.236 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.535 7.904 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.039 8.919 3.847 1.00 0.00 H new ATOM 348 N LYS A 22 -16.132 8.976 1.996 1.00 0.00 N ATOM 349 CA LYS A 22 -16.436 8.375 0.692 1.00 0.00 C ATOM 350 C LYS A 22 -15.348 7.394 0.264 1.00 0.00 C ATOM 351 O LYS A 22 -14.171 7.581 0.590 1.00 0.00 O ATOM 352 CB LYS A 22 -16.594 9.466 -0.377 1.00 0.00 C ATOM 353 CG LYS A 22 -17.875 10.286 -0.253 1.00 0.00 C ATOM 354 CD LYS A 22 -19.008 9.688 -1.078 1.00 0.00 C ATOM 355 CE LYS A 22 -20.299 10.483 -0.926 1.00 0.00 C ATOM 356 NZ LYS A 22 -20.245 11.788 -1.646 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.627 9.860 1.937 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.373 7.828 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.739 10.139 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.569 9.000 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.175 10.337 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.686 11.308 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.718 9.662 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.178 8.657 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -21.133 9.894 -1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.491 10.661 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.144 12.294 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.466 12.362 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.088 11.619 -2.660 1.00 0.00 H new ATOM 370 N VAL A 23 -15.760 6.350 -0.476 1.00 0.00 N ATOM 371 CA VAL A 23 -14.843 5.301 -0.984 1.00 0.00 C ATOM 372 C VAL A 23 -13.664 5.908 -1.770 1.00 0.00 C ATOM 373 O VAL A 23 -12.527 5.451 -1.632 1.00 0.00 O ATOM 374 CB VAL A 23 -15.576 4.259 -1.892 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.747 2.985 -2.051 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.958 3.905 -1.353 1.00 0.00 C ATOM 0 H VAL A 23 -16.734 6.205 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.463 4.787 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.699 4.729 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.282 2.280 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.788 3.230 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.579 2.536 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.431 3.179 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.861 3.478 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.571 4.805 -1.304 1.00 0.00 H new ATOM 386 N GLU A 24 -13.949 6.950 -2.572 1.00 0.00 N ATOM 387 CA GLU A 24 -12.922 7.631 -3.387 1.00 0.00 C ATOM 388 C GLU A 24 -11.835 8.292 -2.520 1.00 0.00 C ATOM 389 O GLU A 24 -10.665 8.348 -2.917 1.00 0.00 O ATOM 390 CB GLU A 24 -13.561 8.669 -4.339 1.00 0.00 C ATOM 391 CG GLU A 24 -14.524 9.657 -3.679 1.00 0.00 C ATOM 392 CD GLU A 24 -15.043 10.700 -4.649 1.00 0.00 C ATOM 393 OE1 GLU A 24 -16.092 10.451 -5.283 1.00 0.00 O ATOM 394 OE2 GLU A 24 -14.403 11.765 -4.777 1.00 0.00 O1- ATOM 0 H GLU A 24 -14.885 7.341 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.438 6.861 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.763 9.233 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.096 8.136 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.366 9.110 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.018 10.155 -2.852 1.00 0.00 H new ATOM 401 N ARG A 25 -12.234 8.767 -1.327 1.00 0.00 N ATOM 402 CA ARG A 25 -11.303 9.412 -0.390 1.00 0.00 C ATOM 403 C ARG A 25 -10.337 8.379 0.198 1.00 0.00 C ATOM 404 O ARG A 25 -9.141 8.651 0.367 1.00 0.00 O ATOM 405 CB ARG A 25 -12.076 10.123 0.729 1.00 0.00 C ATOM 406 CG ARG A 25 -11.433 11.424 1.205 1.00 0.00 C ATOM 407 CD ARG A 25 -11.897 12.618 0.380 1.00 0.00 C ATOM 408 NE ARG A 25 -11.303 13.875 0.849 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.685 15.097 0.448 1.00 0.00 C ATOM 410 NH1 ARG A 25 -12.668 15.255 -0.438 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -11.077 16.168 0.938 1.00 0.00 N ATOM 0 H ARG A 25 -13.196 8.715 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.723 10.157 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.086 10.337 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.170 9.445 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.679 11.589 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.348 11.338 1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.633 12.460 -0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.984 12.691 0.427 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.545 13.816 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.144 14.439 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.945 16.192 -0.731 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.323 16.061 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.363 17.099 0.637 1.00 0.00 H new ATOM 425 N ILE A 26 -10.876 7.185 0.488 1.00 0.00 N ATOM 426 CA ILE A 26 -10.088 6.065 1.016 1.00 0.00 C ATOM 427 C ILE A 26 -9.086 5.595 -0.055 1.00 0.00 C ATOM 428 O ILE A 26 -7.976 5.170 0.271 1.00 0.00 O ATOM 429 CB ILE A 26 -11.006 4.885 1.476 1.00 0.00 C ATOM 430 CG1 ILE A 26 -12.036 5.383 2.508 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.177 3.740 2.074 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.360 4.637 2.489 1.00 0.00 C ATOM 0 H ILE A 26 -11.865 6.971 0.363 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.542 6.407 1.895 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.531 4.505 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.602 5.301 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.227 6.441 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.841 2.934 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.479 3.366 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.621 4.106 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.023 5.054 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.821 4.740 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.186 3.582 2.700 1.00 0.00 H new ATOM 444 N LYS A 27 -9.495 5.710 -1.334 1.00 0.00 N ATOM 445 CA LYS A 27 -8.650 5.331 -2.481 1.00 0.00 C ATOM 446 C LYS A 27 -7.458 6.283 -2.613 1.00 0.00 C ATOM 447 O LYS A 27 -6.353 5.860 -2.964 1.00 0.00 O ATOM 448 CB LYS A 27 -9.451 5.342 -3.791 1.00 0.00 C ATOM 449 CG LYS A 27 -10.687 4.458 -3.779 1.00 0.00 C ATOM 450 CD LYS A 27 -11.258 4.275 -5.177 1.00 0.00 C ATOM 451 CE LYS A 27 -12.166 3.060 -5.247 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.731 2.865 -6.611 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.414 6.066 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.289 4.319 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.754 6.366 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.799 5.023 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.435 3.485 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.444 4.899 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.816 5.166 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.444 4.165 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.606 2.171 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.979 3.173 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.345 2.026 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.287 3.702 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.956 2.731 -7.292 1.00 0.00 H new ATOM 466 N GLU A 28 -7.702 7.577 -2.326 1.00 0.00 N ATOM 467 CA GLU A 28 -6.657 8.614 -2.379 1.00 0.00 C ATOM 468 C GLU A 28 -5.593 8.378 -1.295 1.00 0.00 C ATOM 469 O GLU A 28 -4.392 8.530 -1.551 1.00 0.00 O ATOM 470 CB GLU A 28 -7.275 10.011 -2.213 1.00 0.00 C ATOM 471 CG GLU A 28 -8.072 10.493 -3.421 1.00 0.00 C ATOM 472 CD GLU A 28 -7.193 11.023 -4.540 1.00 0.00 C ATOM 473 OE1 GLU A 28 -6.792 10.224 -5.411 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -6.905 12.239 -4.544 1.00 0.00 O ATOM 0 H GLU A 28 -8.620 7.929 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.175 8.555 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.928 10.005 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.478 10.726 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.678 9.670 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.761 11.277 -3.105 1.00 0.00 H new ATOM 481 N ARG A 29 -6.051 7.991 -0.088 1.00 0.00 N ATOM 482 CA ARG A 29 -5.154 7.699 1.046 1.00 0.00 C ATOM 483 C ARG A 29 -4.235 6.510 0.710 1.00 0.00 C ATOM 484 O ARG A 29 -3.021 6.553 0.959 1.00 0.00 O ATOM 485 CB ARG A 29 -5.979 7.399 2.311 1.00 0.00 C ATOM 486 CG ARG A 29 -5.253 7.692 3.623 1.00 0.00 C ATOM 487 CD ARG A 29 -5.508 9.114 4.104 1.00 0.00 C ATOM 488 NE ARG A 29 -4.777 9.415 5.341 1.00 0.00 N ATOM 489 CZ ARG A 29 -5.009 10.479 6.124 1.00 0.00 C ATOM 490 NH1 ARG A 29 -5.954 11.367 5.818 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -4.285 10.654 7.221 1.00 0.00 N ATOM 0 H ARG A 29 -7.041 7.873 0.126 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.532 8.574 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.897 7.986 2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.272 6.349 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.581 6.986 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.182 7.540 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.211 9.818 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.576 9.254 4.271 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.040 8.769 5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.516 11.244 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.116 12.170 6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.557 9.982 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.456 11.461 7.821 1.00 0.00 H new ATOM 505 N VAL A 30 -4.830 5.458 0.115 1.00 0.00 N ATOM 506 CA VAL A 30 -4.087 4.257 -0.298 1.00 0.00 C ATOM 507 C VAL A 30 -3.036 4.640 -1.355 1.00 0.00 C ATOM 508 O VAL A 30 -1.899 4.163 -1.313 1.00 0.00 O ATOM 509 CB VAL A 30 -5.044 3.148 -0.851 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.291 1.866 -1.197 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.152 2.828 0.146 1.00 0.00 C ATOM 0 H VAL A 30 -5.828 5.418 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.587 3.845 0.579 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.486 3.547 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.993 1.123 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.540 2.079 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.802 1.479 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.800 2.055 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.712 2.474 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.737 3.727 0.340 1.00 0.00 H new ATOM 521 N GLU A 31 -3.435 5.541 -2.273 1.00 0.00 N ATOM 522 CA GLU A 31 -2.565 6.050 -3.348 1.00 0.00 C ATOM 523 C GLU A 31 -1.272 6.651 -2.773 1.00 0.00 C ATOM 524 O GLU A 31 -0.179 6.417 -3.291 1.00 0.00 O ATOM 525 CB GLU A 31 -3.326 7.119 -4.152 1.00 0.00 C ATOM 526 CG GLU A 31 -2.600 7.610 -5.399 1.00 0.00 C ATOM 527 CD GLU A 31 -2.986 9.026 -5.786 1.00 0.00 C ATOM 528 OE1 GLU A 31 -4.151 9.243 -6.178 1.00 0.00 O1- ATOM 529 OE2 GLU A 31 -2.120 9.922 -5.692 1.00 0.00 O ATOM 0 H GLU A 31 -4.375 5.937 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.292 5.220 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.294 6.713 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.523 7.972 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.524 7.565 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.819 6.939 -6.229 1.00 0.00 H new ATOM 536 N GLU A 32 -1.433 7.433 -1.702 1.00 0.00 N ATOM 537 CA GLU A 32 -0.312 8.092 -1.009 1.00 0.00 C ATOM 538 C GLU A 32 0.627 7.092 -0.321 1.00 0.00 C ATOM 539 O GLU A 32 1.818 7.373 -0.156 1.00 0.00 O ATOM 540 CB GLU A 32 -0.839 9.085 0.033 1.00 0.00 C ATOM 541 CG GLU A 32 -1.608 10.249 -0.566 1.00 0.00 C ATOM 542 CD GLU A 32 -1.703 11.435 0.373 1.00 0.00 C ATOM 543 OE1 GLU A 32 -0.805 12.302 0.327 1.00 0.00 O ATOM 544 OE2 GLU A 32 -2.675 11.497 1.154 1.00 0.00 O1- ATOM 0 H GLU A 32 -2.344 7.630 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 32 0.261 8.616 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.486 8.555 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.001 9.474 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.123 10.561 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.613 9.918 -0.829 1.00 0.00 H new ATOM 551 N LYS A 33 0.084 5.931 0.075 1.00 0.00 N ATOM 552 CA LYS A 33 0.876 4.895 0.762 1.00 0.00 C ATOM 553 C LYS A 33 1.714 4.031 -0.197 1.00 0.00 C ATOM 554 O LYS A 33 2.925 3.894 0.001 1.00 0.00 O ATOM 555 CB LYS A 33 -0.027 3.992 1.599 1.00 0.00 C ATOM 556 CG LYS A 33 0.112 4.204 3.096 1.00 0.00 C ATOM 557 CD LYS A 33 -0.537 3.066 3.857 1.00 0.00 C ATOM 558 CE LYS A 33 -0.558 3.317 5.355 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.588 4.325 5.738 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.896 5.685 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 33 1.572 5.431 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.064 4.165 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.199 2.951 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.167 4.273 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.351 5.149 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.557 2.927 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.002 2.141 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.756 2.381 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.424 3.661 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.125 5.141 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.098 4.640 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.260 3.898 6.407 1.00 0.00 H new ATOM 573 N GLU A 34 1.071 3.455 -1.224 1.00 0.00 N ATOM 574 CA GLU A 34 1.764 2.581 -2.184 1.00 0.00 C ATOM 575 C GLU A 34 2.297 3.335 -3.406 1.00 0.00 C ATOM 576 O GLU A 34 3.264 2.891 -4.030 1.00 0.00 O ATOM 577 CB GLU A 34 0.835 1.452 -2.635 1.00 0.00 C ATOM 578 CG GLU A 34 1.161 0.108 -2.000 1.00 0.00 C ATOM 579 CD GLU A 34 0.169 -0.973 -2.383 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.358 -1.601 -3.446 1.00 0.00 O ATOM 581 OE2 GLU A 34 -0.795 -1.191 -1.619 1.00 0.00 O1- ATOM 0 H GLU A 34 0.076 3.578 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 34 2.628 2.169 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.193 1.720 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.892 1.356 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.162 -0.199 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.174 0.216 -0.915 1.00 0.00 H new ATOM 588 N GLY A 35 1.659 4.458 -3.753 1.00 0.00 N ATOM 589 CA GLY A 35 2.094 5.250 -4.902 1.00 0.00 C ATOM 590 C GLY A 35 1.404 4.855 -6.203 1.00 0.00 C ATOM 591 O GLY A 35 1.823 5.288 -7.281 1.00 0.00 O ATOM 0 H GLY A 35 0.849 4.833 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.901 6.304 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.172 5.141 -5.023 1.00 0.00 H new ATOM 595 N ILE A 36 0.349 4.037 -6.098 1.00 0.00 N ATOM 596 CA ILE A 36 -0.407 3.576 -7.268 1.00 0.00 C ATOM 597 C ILE A 36 -1.694 4.411 -7.422 1.00 0.00 C ATOM 598 O ILE A 36 -2.366 4.677 -6.420 1.00 0.00 O ATOM 599 CB ILE A 36 -0.772 2.056 -7.161 1.00 0.00 C ATOM 600 CG1 ILE A 36 0.474 1.218 -6.812 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.400 1.538 -8.465 1.00 0.00 C ATOM 602 CD1 ILE A 36 0.157 -0.101 -6.131 1.00 0.00 C ATOM 0 H ILE A 36 -0.001 3.680 -5.209 1.00 0.00 H new ATOM 0 HA ILE A 36 0.226 3.707 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.505 1.952 -6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.033 1.019 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.124 1.804 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.641 0.481 -8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.310 2.098 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.694 1.667 -9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.084 -0.632 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.375 0.089 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.467 -0.708 -6.787 1.00 0.00 H new ATOM 614 N PRO A 37 -2.065 4.844 -8.673 1.00 0.00 N ATOM 615 CA PRO A 37 -3.293 5.641 -8.919 1.00 0.00 C ATOM 616 C PRO A 37 -4.577 4.948 -8.417 1.00 0.00 C ATOM 617 O PRO A 37 -4.654 3.717 -8.443 1.00 0.00 O ATOM 618 CB PRO A 37 -3.335 5.788 -10.450 1.00 0.00 C ATOM 619 CG PRO A 37 -2.397 4.754 -10.972 1.00 0.00 C ATOM 620 CD PRO A 37 -1.323 4.627 -9.939 1.00 0.00 C ATOM 0 HA PRO A 37 -3.259 6.589 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.344 5.632 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.028 6.788 -10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.908 3.803 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.982 5.052 -11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.847 3.647 -9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.536 5.368 -10.080 1.00 0.00 H new ATOM 628 N PRO A 38 -5.605 5.726 -7.952 1.00 0.00 N ATOM 629 CA PRO A 38 -6.872 5.153 -7.448 1.00 0.00 C ATOM 630 C PRO A 38 -7.745 4.534 -8.551 1.00 0.00 C ATOM 631 O PRO A 38 -8.492 3.584 -8.295 1.00 0.00 O ATOM 632 CB PRO A 38 -7.583 6.351 -6.802 1.00 0.00 C ATOM 633 CG PRO A 38 -7.015 7.560 -7.466 1.00 0.00 C ATOM 634 CD PRO A 38 -5.607 7.209 -7.869 1.00 0.00 C ATOM 0 HA PRO A 38 -6.684 4.328 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.661 6.293 -6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.409 6.377 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.609 7.839 -8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.023 8.414 -6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.343 7.661 -8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.883 7.567 -7.137 1.00 0.00 H new ATOM 642 N GLN A 39 -7.624 5.069 -9.778 1.00 0.00 N ATOM 643 CA GLN A 39 -8.392 4.584 -10.941 1.00 0.00 C ATOM 644 C GLN A 39 -8.079 3.117 -11.268 1.00 0.00 C ATOM 645 O GLN A 39 -8.918 2.409 -11.833 1.00 0.00 O ATOM 646 CB GLN A 39 -8.107 5.455 -12.169 1.00 0.00 C ATOM 647 CG GLN A 39 -8.745 6.835 -12.108 1.00 0.00 C ATOM 648 CD GLN A 39 -8.448 7.672 -13.337 1.00 0.00 C ATOM 649 OE1 GLN A 39 -9.190 7.642 -14.317 1.00 0.00 O ATOM 650 NE2 GLN A 39 -7.353 8.423 -13.289 1.00 0.00 N ATOM 0 H GLN A 39 -6.996 5.844 -9.992 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.448 4.652 -10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.029 5.569 -12.279 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.466 4.939 -13.059 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.824 6.727 -11.999 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.386 7.358 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.766 8.417 -12.455 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.099 9.006 -14.087 1.00 0.00 H new ATOM 659 N GLN A 40 -6.868 2.678 -10.903 1.00 0.00 N ATOM 660 CA GLN A 40 -6.426 1.299 -11.131 1.00 0.00 C ATOM 661 C GLN A 40 -6.716 0.412 -9.912 1.00 0.00 C ATOM 662 O GLN A 40 -6.518 -0.808 -9.963 1.00 0.00 O ATOM 663 CB GLN A 40 -4.928 1.262 -11.460 1.00 0.00 C ATOM 664 CG GLN A 40 -4.585 1.818 -12.835 1.00 0.00 C ATOM 665 CD GLN A 40 -3.137 1.576 -13.217 1.00 0.00 C ATOM 666 OE1 GLN A 40 -2.264 2.398 -12.939 1.00 0.00 O ATOM 667 NE2 GLN A 40 -2.875 0.444 -13.858 1.00 0.00 N ATOM 0 H GLN A 40 -6.172 3.265 -10.444 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.987 0.908 -11.980 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.386 1.830 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.578 0.232 -11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.235 1.360 -13.581 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.787 2.889 -12.851 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.629 -0.209 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.919 0.227 -14.140 1.00 0.00 H new ATOM 676 N GLN A 41 -7.194 1.034 -8.823 1.00 0.00 N ATOM 677 CA GLN A 41 -7.512 0.315 -7.586 1.00 0.00 C ATOM 678 C GLN A 41 -9.020 0.185 -7.402 1.00 0.00 C ATOM 679 O GLN A 41 -9.778 1.085 -7.777 1.00 0.00 O ATOM 680 CB GLN A 41 -6.909 1.033 -6.372 1.00 0.00 C ATOM 681 CG GLN A 41 -5.389 0.985 -6.309 1.00 0.00 C ATOM 682 CD GLN A 41 -4.844 1.532 -5.005 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.636 0.790 -4.046 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.614 2.841 -4.960 1.00 0.00 N ATOM 0 H GLN A 41 -7.368 2.038 -8.777 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.079 -0.682 -7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.228 2.075 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.313 0.587 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.056 -0.045 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.976 1.557 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.800 3.420 -5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.251 3.266 -4.107 1.00 0.00 H new ATOM 693 N ARG A 42 -9.441 -0.944 -6.823 1.00 0.00 N ATOM 694 CA ARG A 42 -10.859 -1.215 -6.569 1.00 0.00 C ATOM 695 C ARG A 42 -11.062 -1.739 -5.151 1.00 0.00 C ATOM 696 O ARG A 42 -10.198 -2.437 -4.611 1.00 0.00 O ATOM 697 CB ARG A 42 -11.410 -2.226 -7.578 1.00 0.00 C ATOM 698 CG ARG A 42 -11.664 -1.639 -8.958 1.00 0.00 C ATOM 699 CD ARG A 42 -12.339 -2.645 -9.874 1.00 0.00 C ATOM 700 NE ARG A 42 -12.584 -2.093 -11.211 1.00 0.00 N ATOM 701 CZ ARG A 42 -13.173 -2.759 -12.215 1.00 0.00 C ATOM 702 NH1 ARG A 42 -13.587 -4.015 -12.060 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -13.345 -2.159 -13.386 1.00 0.00 N ATOM 0 H ARG A 42 -8.815 -1.690 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.402 -0.277 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.707 -3.054 -7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.342 -2.640 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.289 -0.751 -8.867 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.719 -1.320 -9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.715 -3.535 -9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.285 -2.960 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.285 -1.134 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.458 -4.488 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.033 -4.504 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.030 -1.198 -13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.792 -2.659 -14.154 1.00 0.00 H new ATOM 717 N LEU A 43 -12.211 -1.397 -4.560 1.00 0.00 N ATOM 718 CA LEU A 43 -12.542 -1.823 -3.200 1.00 0.00 C ATOM 719 C LEU A 43 -13.755 -2.751 -3.205 1.00 0.00 C ATOM 720 O LEU A 43 -14.839 -2.378 -3.672 1.00 0.00 O ATOM 721 CB LEU A 43 -12.793 -0.597 -2.306 1.00 0.00 C ATOM 722 CG LEU A 43 -12.544 -0.799 -0.801 1.00 0.00 C ATOM 723 CD1 LEU A 43 -11.053 -0.756 -0.477 1.00 0.00 C ATOM 724 CD2 LEU A 43 -13.284 0.258 0.005 1.00 0.00 C ATOM 0 H LEU A 43 -12.928 -0.825 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.697 -2.379 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.158 0.218 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.826 -0.277 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.923 -1.784 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.909 -0.902 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.539 -1.547 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.645 0.211 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.098 0.102 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.931 1.248 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.354 0.182 -0.191 1.00 0.00 H new ATOM 736 N ILE A 44 -13.550 -3.965 -2.683 1.00 0.00 N ATOM 737 CA ILE A 44 -14.601 -4.984 -2.622 1.00 0.00 C ATOM 738 C ILE A 44 -14.817 -5.439 -1.175 1.00 0.00 C ATOM 739 O ILE A 44 -13.852 -5.692 -0.446 1.00 0.00 O ATOM 740 CB ILE A 44 -14.257 -6.230 -3.510 1.00 0.00 C ATOM 741 CG1 ILE A 44 -13.605 -5.836 -4.871 1.00 0.00 C ATOM 742 CG2 ILE A 44 -15.495 -7.111 -3.740 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.415 -4.892 -5.759 1.00 0.00 C ATOM 0 H ILE A 44 -12.657 -4.267 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.514 -4.530 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.518 -6.807 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.640 -5.371 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.406 -6.749 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.223 -7.966 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.874 -7.463 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.267 -6.529 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.861 -4.690 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.370 -5.355 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.592 -3.956 -5.229 1.00 0.00 H new ATOM 755 N TYR A 45 -16.091 -5.537 -0.777 1.00 0.00 N ATOM 756 CA TYR A 45 -16.462 -5.972 0.575 1.00 0.00 C ATOM 757 C TYR A 45 -17.634 -6.952 0.514 1.00 0.00 C ATOM 758 O TYR A 45 -18.625 -6.695 -0.177 1.00 0.00 O ATOM 759 CB TYR A 45 -16.813 -4.756 1.456 1.00 0.00 C ATOM 760 CG TYR A 45 -16.984 -5.066 2.939 1.00 0.00 C ATOM 761 CD1 TYR A 45 -15.887 -5.343 3.751 1.00 0.00 C ATOM 762 CD2 TYR A 45 -18.246 -5.075 3.520 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.046 -5.620 5.095 1.00 0.00 C ATOM 764 CE2 TYR A 45 -18.411 -5.351 4.864 1.00 0.00 C ATOM 765 CZ TYR A 45 -17.310 -5.623 5.647 1.00 0.00 C ATOM 766 OH TYR A 45 -17.471 -5.898 6.986 1.00 0.00 O ATOM 0 H TYR A 45 -16.887 -5.319 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.609 -6.482 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.029 -4.007 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.736 -4.310 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.895 -5.341 3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -19.112 -4.863 2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.185 -5.833 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -19.399 -5.354 5.299 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.370 -5.630 7.269 1.00 0.00 H new ATOM 776 N SER A 46 -17.502 -8.081 1.253 1.00 0.00 N ATOM 777 CA SER A 46 -18.525 -9.162 1.330 1.00 0.00 C ATOM 778 C SER A 46 -18.619 -9.964 0.023 1.00 0.00 C ATOM 779 O SER A 46 -18.627 -11.198 0.041 1.00 0.00 O ATOM 780 CB SER A 46 -19.917 -8.610 1.702 1.00 0.00 C ATOM 781 OG SER A 46 -20.796 -9.652 2.092 1.00 0.00 O ATOM 0 H SER A 46 -16.675 -8.272 1.819 1.00 0.00 H new ATOM 0 HA SER A 46 -18.193 -9.834 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.820 -7.890 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.338 -8.075 0.851 1.00 0.00 H new ATOM 0 HG SER A 46 -21.670 -9.273 2.324 1.00 0.00 H new ATOM 787 N GLY A 47 -18.690 -9.239 -1.093 1.00 0.00 N ATOM 788 CA GLY A 47 -18.799 -9.841 -2.412 1.00 0.00 C ATOM 789 C GLY A 47 -19.347 -8.856 -3.428 1.00 0.00 C ATOM 790 O GLY A 47 -19.433 -9.164 -4.620 1.00 0.00 O ATOM 0 H GLY A 47 -18.673 -8.219 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.819 -10.192 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.450 -10.714 -2.362 1.00 0.00 H new ATOM 794 N LYS A 48 -19.715 -7.664 -2.937 1.00 0.00 N ATOM 795 CA LYS A 48 -20.259 -6.598 -3.772 1.00 0.00 C ATOM 796 C LYS A 48 -19.185 -5.552 -4.070 1.00 0.00 C ATOM 797 O LYS A 48 -18.201 -5.436 -3.332 1.00 0.00 O ATOM 798 CB LYS A 48 -21.461 -5.939 -3.085 1.00 0.00 C ATOM 799 CG LYS A 48 -22.715 -6.804 -3.078 1.00 0.00 C ATOM 800 CD LYS A 48 -23.866 -6.110 -2.369 1.00 0.00 C ATOM 801 CE LYS A 48 -25.114 -6.978 -2.352 1.00 0.00 C ATOM 802 NZ LYS A 48 -26.247 -6.309 -1.656 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.642 -7.418 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.591 -7.036 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.192 -5.697 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.683 -4.997 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.004 -7.036 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.501 -7.752 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.574 -5.871 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.085 -5.165 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.406 -7.214 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -24.892 -7.924 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.078 -6.934 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -25.979 -6.106 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.477 -5.419 -2.143 1.00 0.00 H new ATOM 816 N GLN A 49 -19.384 -4.792 -5.154 1.00 0.00 N ATOM 817 CA GLN A 49 -18.434 -3.752 -5.564 1.00 0.00 C ATOM 818 C GLN A 49 -18.821 -2.398 -4.968 1.00 0.00 C ATOM 819 O GLN A 49 -19.996 -2.021 -4.993 1.00 0.00 O ATOM 820 CB GLN A 49 -18.380 -3.635 -7.098 1.00 0.00 C ATOM 821 CG GLN A 49 -17.853 -4.876 -7.819 1.00 0.00 C ATOM 822 CD GLN A 49 -18.921 -5.934 -8.038 1.00 0.00 C ATOM 823 OE1 GLN A 49 -19.637 -5.910 -9.038 1.00 0.00 O ATOM 824 NE2 GLN A 49 -19.025 -6.873 -7.105 1.00 0.00 N ATOM 0 H GLN A 49 -20.197 -4.879 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.450 -4.039 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.382 -3.416 -7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.751 -2.785 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.439 -4.581 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.036 -5.307 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.410 -6.854 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.720 -7.613 -7.202 1.00 0.00 H new ATOM 833 N MET A 50 -17.825 -1.677 -4.436 1.00 0.00 N ATOM 834 CA MET A 50 -18.051 -0.360 -3.834 1.00 0.00 C ATOM 835 C MET A 50 -17.839 0.748 -4.865 1.00 0.00 C ATOM 836 O MET A 50 -16.790 0.809 -5.515 1.00 0.00 O ATOM 837 CB MET A 50 -17.125 -0.156 -2.631 1.00 0.00 C ATOM 838 CG MET A 50 -17.456 -1.054 -1.444 1.00 0.00 C ATOM 839 SD MET A 50 -16.460 -0.689 0.015 1.00 0.00 S ATOM 840 CE MET A 50 -17.356 0.700 0.705 1.00 0.00 C ATOM 0 H MET A 50 -16.853 -1.986 -4.411 1.00 0.00 H new ATOM 0 HA MET A 50 -19.084 -0.313 -3.489 1.00 0.00 H new ATOM 0 HB2 MET A 50 -16.096 -0.341 -2.940 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.180 0.885 -2.314 1.00 0.00 H new ATOM 0 HG2 MET A 50 -18.511 -0.942 -1.194 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.304 -2.095 -1.730 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.651 1.407 1.142 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.924 1.194 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.039 0.345 1.477 1.00 0.00 H new ATOM 850 N ASN A 51 -18.846 1.619 -5.004 1.00 0.00 N ATOM 851 CA ASN A 51 -18.800 2.727 -5.963 1.00 0.00 C ATOM 852 C ASN A 51 -18.283 4.009 -5.310 1.00 0.00 C ATOM 853 O ASN A 51 -18.478 4.230 -4.111 1.00 0.00 O ATOM 854 CB ASN A 51 -20.194 2.966 -6.552 1.00 0.00 C ATOM 855 CG ASN A 51 -20.148 3.527 -7.962 1.00 0.00 C ATOM 856 OD1 ASN A 51 -20.131 2.780 -8.940 1.00 0.00 O ATOM 857 ND2 ASN A 51 -20.128 4.852 -8.073 1.00 0.00 N ATOM 0 H ASN A 51 -19.708 1.576 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.109 2.454 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -20.747 2.027 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.742 3.655 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.097 5.286 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -20.143 5.434 -7.236 1.00 0.00 H new ATOM 864 N ASP A 52 -17.650 4.865 -6.131 1.00 0.00 N ATOM 865 CA ASP A 52 -17.085 6.149 -5.673 1.00 0.00 C ATOM 866 C ASP A 52 -18.171 7.128 -5.201 1.00 0.00 C ATOM 867 O ASP A 52 -17.867 8.119 -4.530 1.00 0.00 O ATOM 868 CB ASP A 52 -16.262 6.794 -6.792 1.00 0.00 C ATOM 869 CG ASP A 52 -14.973 6.045 -7.076 1.00 0.00 C ATOM 870 OD1 ASP A 52 -14.995 5.125 -7.921 1.00 0.00 O1- ATOM 871 OD2 ASP A 52 -13.942 6.378 -6.453 1.00 0.00 O ATOM 0 H ASP A 52 -17.515 4.689 -7.127 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.443 5.930 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.862 6.835 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.027 7.823 -6.518 1.00 0.00 H new ATOM 876 N GLU A 53 -19.429 6.837 -5.558 1.00 0.00 N ATOM 877 CA GLU A 53 -20.572 7.668 -5.168 1.00 0.00 C ATOM 878 C GLU A 53 -21.158 7.198 -3.831 1.00 0.00 C ATOM 879 O GLU A 53 -21.971 7.900 -3.223 1.00 0.00 O ATOM 880 CB GLU A 53 -21.655 7.636 -6.252 1.00 0.00 C ATOM 881 CG GLU A 53 -21.297 8.425 -7.504 1.00 0.00 C ATOM 882 CD GLU A 53 -22.388 8.373 -8.556 1.00 0.00 C ATOM 883 OE1 GLU A 53 -22.355 7.453 -9.400 1.00 0.00 O1- ATOM 884 OE2 GLU A 53 -23.274 9.253 -8.536 1.00 0.00 O ATOM 0 H GLU A 53 -19.680 6.025 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.218 8.692 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.847 6.600 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.582 8.032 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.108 9.464 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.372 8.032 -7.925 1.00 0.00 H new ATOM 891 N LYS A 54 -20.729 6.006 -3.386 1.00 0.00 N ATOM 892 CA LYS A 54 -21.194 5.428 -2.123 1.00 0.00 C ATOM 893 C LYS A 54 -20.181 5.691 -1.004 1.00 0.00 C ATOM 894 O LYS A 54 -19.055 6.128 -1.270 1.00 0.00 O ATOM 895 CB LYS A 54 -21.432 3.917 -2.283 1.00 0.00 C ATOM 896 CG LYS A 54 -22.612 3.569 -3.179 1.00 0.00 C ATOM 897 CD LYS A 54 -23.026 2.116 -3.012 1.00 0.00 C ATOM 898 CE LYS A 54 -24.226 1.777 -3.880 1.00 0.00 C ATOM 899 NZ LYS A 54 -24.647 0.358 -3.717 1.00 0.00 N1+ ATOM 0 H LYS A 54 -20.058 5.425 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 54 -22.137 5.904 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.531 3.459 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.595 3.479 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.455 4.218 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.348 3.756 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.191 1.466 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.265 1.922 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -25.057 2.434 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -23.982 1.965 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -25.468 0.167 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -23.863 -0.270 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.904 0.184 -2.724 1.00 0.00 H new ATOM 913 N THR A 55 -20.589 5.427 0.243 1.00 0.00 N ATOM 914 CA THR A 55 -19.722 5.636 1.401 1.00 0.00 C ATOM 915 C THR A 55 -19.521 4.327 2.164 1.00 0.00 C ATOM 916 O THR A 55 -20.294 3.377 1.997 1.00 0.00 O ATOM 917 CB THR A 55 -20.284 6.710 2.367 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.580 6.326 2.844 1.00 0.00 O ATOM 919 CG2 THR A 55 -20.377 8.077 1.700 1.00 0.00 C ATOM 0 H THR A 55 -21.516 5.068 0.473 1.00 0.00 H new ATOM 0 HA THR A 55 -18.766 5.992 1.018 1.00 0.00 H new ATOM 0 HB THR A 55 -19.591 6.783 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.125 6.012 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.775 8.802 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 55 -19.385 8.393 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 55 -21.037 8.016 0.835 1.00 0.00 H new ATOM 927 N ALA A 56 -18.489 4.297 3.019 1.00 0.00 N ATOM 928 CA ALA A 56 -18.152 3.114 3.825 1.00 0.00 C ATOM 929 C ALA A 56 -19.313 2.663 4.722 1.00 0.00 C ATOM 930 O ALA A 56 -19.498 1.462 4.947 1.00 0.00 O ATOM 931 CB ALA A 56 -16.923 3.407 4.664 1.00 0.00 C ATOM 0 H ALA A 56 -17.866 5.090 3.171 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.948 2.293 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.673 2.530 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.086 3.651 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.126 4.250 5.324 1.00 0.00 H new ATOM 937 N ALA A 57 -20.097 3.636 5.216 1.00 0.00 N ATOM 938 CA ALA A 57 -21.256 3.359 6.081 1.00 0.00 C ATOM 939 C ALA A 57 -22.336 2.550 5.352 1.00 0.00 C ATOM 940 O ALA A 57 -23.021 1.724 5.966 1.00 0.00 O ATOM 941 CB ALA A 57 -21.841 4.661 6.605 1.00 0.00 C ATOM 0 H ALA A 57 -19.947 4.628 5.029 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.904 2.756 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.697 4.444 7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -21.085 5.194 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -22.161 5.280 5.767 1.00 0.00 H new ATOM 947 N ASP A 58 -22.454 2.769 4.028 1.00 0.00 N ATOM 948 CA ASP A 58 -23.441 2.072 3.189 1.00 0.00 C ATOM 949 C ASP A 58 -23.170 0.562 3.109 1.00 0.00 C ATOM 950 O ASP A 58 -24.043 -0.209 2.699 1.00 0.00 O ATOM 951 CB ASP A 58 -23.446 2.670 1.782 1.00 0.00 C ATOM 952 CG ASP A 58 -24.187 3.991 1.716 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.430 3.981 1.836 1.00 0.00 O1- ATOM 954 OD2 ASP A 58 -23.524 5.035 1.543 1.00 0.00 O ATOM 0 H ASP A 58 -21.871 3.430 3.515 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.417 2.208 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.418 2.816 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.907 1.963 1.092 1.00 0.00 H new ATOM 959 N TYR A 59 -21.957 0.160 3.505 1.00 0.00 N ATOM 960 CA TYR A 59 -21.555 -1.244 3.500 1.00 0.00 C ATOM 961 C TYR A 59 -21.288 -1.739 4.931 1.00 0.00 C ATOM 962 O TYR A 59 -20.607 -2.752 5.135 1.00 0.00 O ATOM 963 CB TYR A 59 -20.320 -1.427 2.608 1.00 0.00 C ATOM 964 CG TYR A 59 -20.618 -1.322 1.126 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.693 -0.084 0.496 1.00 0.00 C ATOM 966 CD2 TYR A 59 -20.826 -2.461 0.358 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.966 0.014 -0.855 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.099 -2.371 -0.993 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.168 -1.132 -1.595 1.00 0.00 C ATOM 970 OH TYR A 59 -21.440 -1.039 -2.940 1.00 0.00 O ATOM 0 H TYR A 59 -21.233 0.798 3.836 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.368 -1.845 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.576 -0.676 2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.876 -2.401 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.535 0.816 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.773 -3.433 0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.021 0.983 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.258 -3.267 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.809 -1.597 -3.441 1.00 0.00 H new ATOM 980 N LYS A 60 -21.863 -1.012 5.924 1.00 0.00 N ATOM 981 CA LYS A 60 -21.749 -1.322 7.378 1.00 0.00 C ATOM 982 C LYS A 60 -20.311 -1.667 7.837 1.00 0.00 C ATOM 983 O LYS A 60 -20.111 -2.502 8.729 1.00 0.00 O ATOM 984 CB LYS A 60 -22.769 -2.421 7.821 1.00 0.00 C ATOM 985 CG LYS A 60 -22.814 -3.701 6.972 1.00 0.00 C ATOM 986 CD LYS A 60 -21.696 -4.674 7.328 1.00 0.00 C ATOM 987 CE LYS A 60 -21.786 -5.950 6.508 1.00 0.00 C ATOM 988 NZ LYS A 60 -20.699 -6.909 6.850 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.427 -0.183 5.737 1.00 0.00 H new ATOM 0 HA LYS A 60 -22.007 -0.394 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.541 -2.702 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.765 -1.979 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.777 -4.192 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.740 -3.437 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.730 -4.198 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.749 -4.918 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.753 -6.423 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.733 -5.704 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -21.046 -7.883 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.887 -6.753 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.404 -6.762 7.836 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.317 -0.997 7.237 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.906 -1.214 7.586 1.00 0.00 C ATOM 1004 C ILE A 61 -17.512 -0.313 8.766 1.00 0.00 C ATOM 1005 O ILE A 61 -17.745 0.899 8.733 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.956 -0.942 6.379 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.504 -1.583 5.089 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.549 -1.474 6.669 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.106 -0.854 3.819 1.00 0.00 C ATOM 0 H ILE A 61 -19.464 -0.300 6.507 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.797 -2.262 7.866 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.903 0.137 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.152 -2.613 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.592 -1.621 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.901 -1.275 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.147 -0.978 7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.596 -2.549 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.531 -1.367 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.481 0.169 3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.019 -0.839 3.733 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.916 -0.924 9.796 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.493 -0.196 10.997 1.00 0.00 C ATOM 1023 C LEU A 62 -15.042 -0.523 11.373 1.00 0.00 C ATOM 1024 O LEU A 62 -14.415 -1.415 10.776 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.435 -0.527 12.169 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.849 0.057 12.067 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.776 -0.889 11.314 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -19.403 0.354 13.453 1.00 0.00 C ATOM 0 H LEU A 62 -16.715 -1.924 9.821 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.546 0.871 10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.514 -1.611 12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.978 -0.168 13.091 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.791 0.991 11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.773 -0.452 11.255 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.391 -1.051 10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.828 -1.842 11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -20.407 0.768 13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.441 -0.567 14.035 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.758 1.074 13.956 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.518 0.209 12.379 1.00 0.00 N ATOM 1041 CA GLY A 63 -13.147 0.018 12.856 1.00 0.00 C ATOM 1042 C GLY A 63 -12.866 -1.407 13.299 1.00 0.00 C ATOM 1043 O GLY A 63 -13.353 -1.849 14.345 1.00 0.00 O ATOM 0 H GLY A 63 -15.032 0.938 12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.451 0.290 12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.960 0.695 13.689 1.00 0.00 H new ATOM 1047 N GLY A 64 -12.078 -2.112 12.490 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.738 -3.497 12.770 1.00 0.00 C ATOM 1049 C GLY A 64 -12.136 -4.437 11.642 1.00 0.00 C ATOM 1050 O GLY A 64 -11.871 -5.640 11.720 1.00 0.00 O ATOM 0 H GLY A 64 -11.664 -1.742 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.665 -3.576 12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.232 -3.810 13.690 1.00 0.00 H new ATOM 1054 N SER A 65 -12.774 -3.888 10.590 1.00 0.00 N ATOM 1055 CA SER A 65 -13.205 -4.682 9.437 1.00 0.00 C ATOM 1056 C SER A 65 -12.078 -4.840 8.419 1.00 0.00 C ATOM 1057 O SER A 65 -11.248 -3.940 8.254 1.00 0.00 O ATOM 1058 CB SER A 65 -14.417 -4.030 8.773 1.00 0.00 C ATOM 1059 OG SER A 65 -15.513 -3.954 9.669 1.00 0.00 O ATOM 0 H SER A 65 -13.000 -2.896 10.521 1.00 0.00 H new ATOM 0 HA SER A 65 -13.479 -5.674 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.153 -3.029 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.704 -4.603 7.891 1.00 0.00 H new ATOM 0 HG SER A 65 -15.357 -3.235 10.316 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.064 -5.994 7.749 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.050 -6.300 6.738 1.00 0.00 C ATOM 1067 C VAL A 66 -11.631 -6.069 5.338 1.00 0.00 C ATOM 1068 O VAL A 66 -12.554 -6.773 4.915 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.522 -7.767 6.864 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.284 -7.994 5.997 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.204 -8.121 8.315 1.00 0.00 C ATOM 0 H VAL A 66 -12.749 -6.737 7.890 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.204 -5.633 6.902 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.319 -8.420 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.945 -9.024 6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.532 -7.806 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.491 -7.315 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.840 -9.147 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.439 -7.444 8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.106 -8.025 8.919 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.082 -5.073 4.637 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.532 -4.726 3.287 1.00 0.00 C ATOM 1083 C LEU A 67 -10.637 -5.370 2.231 1.00 0.00 C ATOM 1084 O LEU A 67 -9.449 -5.602 2.472 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.548 -3.201 3.104 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.573 -2.431 3.952 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.148 -0.980 4.095 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.962 -2.504 3.328 1.00 0.00 C ATOM 0 H LEU A 67 -10.321 -4.490 4.985 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.545 -5.109 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.554 -2.817 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.739 -2.983 2.053 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.613 -2.894 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.881 -0.444 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.174 -0.932 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.083 -0.521 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.669 -1.951 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.936 -2.067 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.276 -3.546 3.260 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.222 -5.654 1.062 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.494 -6.274 -0.045 1.00 0.00 C ATOM 1102 C HIS A 68 -10.206 -5.260 -1.148 1.00 0.00 C ATOM 1103 O HIS A 68 -11.018 -4.368 -1.408 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.289 -7.452 -0.617 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.367 -8.632 0.303 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.570 -9.750 0.163 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -12.155 -8.866 1.380 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -10.865 -10.620 1.113 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.821 -10.108 1.863 1.00 0.00 N ATOM 0 H HIS A 68 -12.203 -5.462 0.860 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.544 -6.641 0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.300 -7.117 -0.850 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.832 -7.765 -1.556 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.905 -8.201 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.402 -11.586 1.251 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -12.245 -10.562 2.672 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.041 -5.410 -1.788 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.620 -4.519 -2.871 1.00 0.00 C ATOM 1120 C LEU A 69 -8.164 -5.328 -4.085 1.00 0.00 C ATOM 1121 O LEU A 69 -7.530 -6.377 -3.937 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.485 -3.599 -2.388 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.252 -2.326 -3.216 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -8.128 -1.184 -2.718 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -5.784 -1.929 -3.177 1.00 0.00 C ATOM 0 H LEU A 69 -8.369 -6.147 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.471 -3.905 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.694 -3.306 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.559 -4.174 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.528 -2.537 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.944 -0.295 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.177 -1.468 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.891 -0.971 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.636 -1.025 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.485 -1.741 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.178 -2.736 -3.589 1.00 0.00 H new ATOM 1137 N VAL A 70 -8.496 -4.826 -5.278 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.127 -5.485 -6.536 1.00 0.00 C ATOM 1139 C VAL A 70 -7.385 -4.498 -7.442 1.00 0.00 C ATOM 1140 O VAL A 70 -7.717 -3.310 -7.480 1.00 0.00 O ATOM 1141 CB VAL A 70 -9.369 -6.060 -7.290 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -8.951 -7.023 -8.401 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.327 -6.765 -6.334 1.00 0.00 C ATOM 0 H VAL A 70 -9.022 -3.961 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.478 -6.324 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.885 -5.211 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.839 -7.404 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.323 -6.498 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.393 -7.854 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.179 -7.152 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.810 -7.589 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.677 -6.057 -5.582 1.00 0.00 H new ATOM 1153 N LEU A 71 -6.382 -5.009 -8.163 1.00 0.00 N ATOM 1154 CA LEU A 71 -5.579 -4.192 -9.072 1.00 0.00 C ATOM 1155 C LEU A 71 -6.030 -4.392 -10.518 1.00 0.00 C ATOM 1156 O LEU A 71 -6.349 -5.513 -10.925 1.00 0.00 O ATOM 1157 CB LEU A 71 -4.090 -4.548 -8.924 1.00 0.00 C ATOM 1158 CG LEU A 71 -3.095 -3.469 -9.379 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -2.806 -2.485 -8.252 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -1.806 -4.111 -9.869 1.00 0.00 C ATOM 0 H LEU A 71 -6.107 -5.991 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.720 -3.143 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.893 -4.778 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.895 -5.458 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.545 -2.916 -10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.099 -1.731 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.733 -2.000 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.379 -3.019 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.111 -3.334 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.358 -4.690 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.024 -4.770 -10.709 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.050 -3.294 -11.282 1.00 0.00 N ATOM 1173 CA ALA A 72 -6.455 -3.327 -12.687 1.00 0.00 C ATOM 1174 C ALA A 72 -5.241 -3.397 -13.608 1.00 0.00 C ATOM 1175 O ALA A 72 -4.292 -2.620 -13.455 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.301 -2.109 -13.020 1.00 0.00 C ATOM 0 H ALA A 72 -5.788 -2.367 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.051 -4.226 -12.846 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.596 -2.146 -14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.192 -2.103 -12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.723 -1.203 -12.838 1.00 0.00 H new ATOM 1182 N LEU A 73 -5.282 -4.333 -14.562 1.00 0.00 N ATOM 1183 CA LEU A 73 -4.191 -4.523 -15.521 1.00 0.00 C ATOM 1184 C LEU A 73 -4.491 -3.831 -16.852 1.00 0.00 C ATOM 1185 O LEU A 73 -3.615 -3.177 -17.425 1.00 0.00 O ATOM 1186 CB LEU A 73 -3.931 -6.021 -15.751 1.00 0.00 C ATOM 1187 CG LEU A 73 -3.361 -6.788 -14.551 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -4.478 -7.300 -13.649 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -2.489 -7.941 -15.025 1.00 0.00 C ATOM 0 H LEU A 73 -6.065 -4.974 -14.690 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.296 -4.068 -15.098 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.868 -6.492 -16.049 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.241 -6.127 -16.588 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.746 -6.101 -13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.046 -7.840 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.062 -6.457 -13.279 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.125 -7.969 -14.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.092 -8.476 -14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.085 -8.623 -15.631 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.664 -7.552 -15.622 1.00 0.00 H new ATOM 1201 N ARG A 74 -5.732 -3.981 -17.333 1.00 0.00 N ATOM 1202 CA ARG A 74 -6.158 -3.376 -18.597 1.00 0.00 C ATOM 1203 C ARG A 74 -7.102 -2.205 -18.348 1.00 0.00 C ATOM 1204 O ARG A 74 -7.910 -2.238 -17.414 1.00 0.00 O ATOM 1205 CB ARG A 74 -6.844 -4.417 -19.489 1.00 0.00 C ATOM 1206 CG ARG A 74 -5.885 -5.418 -20.115 1.00 0.00 C ATOM 1207 CD ARG A 74 -6.615 -6.402 -21.014 1.00 0.00 C ATOM 1208 NE ARG A 74 -5.698 -7.365 -21.634 1.00 0.00 N ATOM 1209 CZ ARG A 74 -6.042 -8.244 -22.587 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -7.288 -8.301 -23.053 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 -5.128 -9.070 -23.076 1.00 0.00 N ATOM 0 H ARG A 74 -6.460 -4.519 -16.862 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.269 -3.005 -19.106 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.583 -4.957 -18.898 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.385 -3.902 -20.282 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.129 -4.887 -20.694 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.361 -5.962 -19.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.364 -6.938 -20.431 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.148 -5.856 -21.792 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.728 -7.366 -21.317 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.999 -7.670 -22.685 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.531 -8.976 -23.778 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.170 -9.035 -22.727 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.383 -9.741 -23.801 1.00 0.00 H new ATOM 1225 N GLY A 75 -6.989 -1.175 -19.193 1.00 0.00 N ATOM 1226 CA GLY A 75 -7.829 0.007 -19.068 1.00 0.00 C ATOM 1227 C GLY A 75 -8.112 0.662 -20.406 1.00 0.00 C ATOM 1228 O GLY A 75 -9.276 0.857 -20.770 1.00 0.00 O ATOM 0 H GLY A 75 -6.325 -1.141 -19.966 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.772 -0.269 -18.596 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.342 0.727 -18.410 1.00 0.00 H new ATOM 1232 N GLY A 76 -7.041 0.999 -21.132 1.00 0.00 N ATOM 1233 CA GLY A 76 -7.177 1.634 -22.435 1.00 0.00 C ATOM 1234 C GLY A 76 -6.174 1.111 -23.446 1.00 0.00 C ATOM 1235 O GLY A 76 -5.789 -0.074 -23.344 1.00 0.00 O ATOM 0 H GLY A 76 -6.078 0.841 -20.836 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.187 1.470 -22.812 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.049 2.711 -22.325 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 23.349 0.072 -18.742 1.00 0.00 N ATOM 1241 CA GLY B 77 21.958 -0.004 -18.220 1.00 0.00 C ATOM 1242 C GLY B 77 21.888 -0.626 -16.840 1.00 0.00 C ATOM 1243 O GLY B 77 21.918 -1.853 -16.707 1.00 0.00 O ATOM 0 HA2 GLY B 77 21.531 0.998 -18.185 1.00 0.00 H new ATOM 0 HA3 GLY B 77 21.346 -0.587 -18.909 1.00 0.00 H new ATOM 1249 N GLY B 78 21.797 0.230 -15.815 1.00 0.00 N ATOM 1250 CA GLY B 78 21.723 -0.239 -14.439 1.00 0.00 C ATOM 1251 C GLY B 78 21.069 0.771 -13.517 1.00 0.00 C ATOM 1252 O GLY B 78 21.558 1.895 -13.376 1.00 0.00 O ATOM 0 H GLY B 78 21.773 1.244 -15.918 1.00 0.00 H new ATOM 0 HA2 GLY B 78 21.162 -1.173 -14.406 1.00 0.00 H new ATOM 0 HA3 GLY B 78 22.728 -0.458 -14.078 1.00 0.00 H new ATOM 1256 N ILE B 79 19.960 0.361 -12.892 1.00 0.00 N ATOM 1257 CA ILE B 79 19.217 1.227 -11.969 1.00 0.00 C ATOM 1258 C ILE B 79 19.291 0.657 -10.550 1.00 0.00 C ATOM 1259 O ILE B 79 18.930 -0.502 -10.320 1.00 0.00 O ATOM 1260 CB ILE B 79 17.719 1.400 -12.388 1.00 0.00 C ATOM 1261 CG1 ILE B 79 17.574 1.611 -13.905 1.00 0.00 C ATOM 1262 CG2 ILE B 79 17.077 2.577 -11.654 1.00 0.00 C ATOM 1263 CD1 ILE B 79 17.340 0.331 -14.681 1.00 0.00 C ATOM 0 H ILE B 79 19.556 -0.568 -13.009 1.00 0.00 H new ATOM 0 HA ILE B 79 19.682 2.212 -12.004 1.00 0.00 H new ATOM 0 HB ILE B 79 17.207 0.478 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE B 79 16.745 2.294 -14.090 1.00 0.00 H new ATOM 0 HG13 ILE B 79 18.475 2.094 -14.283 1.00 0.00 H new ATOM 0 HG21 ILE B 79 16.036 2.675 -11.963 1.00 0.00 H new ATOM 0 HG22 ILE B 79 17.121 2.403 -10.579 1.00 0.00 H new ATOM 0 HG23 ILE B 79 17.615 3.494 -11.895 1.00 0.00 H new ATOM 0 HD11 ILE B 79 17.248 0.561 -15.743 1.00 0.00 H new ATOM 0 HD12 ILE B 79 18.180 -0.346 -14.528 1.00 0.00 H new ATOM 0 HD13 ILE B 79 16.423 -0.144 -14.332 1.00 0.00 H new ATOM 1275 N ARG B 80 19.760 1.485 -9.611 1.00 0.00 N ATOM 1276 CA ARG B 80 19.890 1.084 -8.210 1.00 0.00 C ATOM 1277 C ARG B 80 19.234 2.099 -7.281 1.00 0.00 C ATOM 1278 O ARG B 80 19.500 3.302 -7.374 1.00 0.00 O ATOM 1279 CB ARG B 80 21.369 0.916 -7.835 1.00 0.00 C ATOM 1280 CG ARG B 80 21.979 -0.410 -8.283 1.00 0.00 C ATOM 1281 CD ARG B 80 21.756 -1.510 -7.252 1.00 0.00 C ATOM 1282 NE ARG B 80 22.376 -2.778 -7.652 1.00 0.00 N ATOM 1283 CZ ARG B 80 21.788 -3.979 -7.553 1.00 0.00 C ATOM 1284 NH1 ARG B 80 20.553 -4.104 -7.069 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 22.443 -5.066 -7.937 1.00 0.00 N ATOM 0 H ARG B 80 20.057 2.442 -9.800 1.00 0.00 H new ATOM 0 HA ARG B 80 19.379 0.129 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.940 1.733 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG B 80 21.471 1.003 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.540 -0.709 -9.235 1.00 0.00 H new ATOM 0 HG3 ARG B 80 23.048 -0.280 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG B 80 22.165 -1.194 -6.292 1.00 0.00 H new ATOM 0 HD3 ARG B 80 20.686 -1.660 -7.109 1.00 0.00 H new ATOM 0 HE ARG B 80 23.322 -2.744 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG B 80 20.038 -3.277 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG B 80 20.123 -5.026 -7.002 1.00 0.00 H new ATOM 0 HH21 ARG B 80 23.391 -4.987 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG B 80 21.999 -5.981 -7.863 1.00 0.00 H new ATOM 1299 N LYS B 81 18.373 1.598 -6.389 1.00 0.00 N ATOM 1300 CA LYS B 81 17.668 2.441 -5.419 1.00 0.00 C ATOM 1301 C LYS B 81 18.254 2.259 -4.007 1.00 0.00 C ATOM 1302 O LYS B 81 17.562 2.436 -2.996 1.00 0.00 O ATOM 1303 CB LYS B 81 16.166 2.120 -5.439 1.00 0.00 C ATOM 1304 CG LYS B 81 15.426 2.736 -6.617 1.00 0.00 C ATOM 1305 CD LYS B 81 13.945 2.387 -6.590 1.00 0.00 C ATOM 1306 CE LYS B 81 13.196 3.027 -7.751 1.00 0.00 C ATOM 1307 NZ LYS B 81 13.395 2.285 -9.027 1.00 0.00 N1+ ATOM 0 H LYS B 81 18.147 0.606 -6.319 1.00 0.00 H new ATOM 0 HA LYS B 81 17.803 3.486 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS B 81 16.035 1.038 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.715 2.474 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS B 81 15.546 3.819 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.867 2.384 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.825 1.304 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.509 2.720 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.132 3.066 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.533 4.056 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 12.867 2.757 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 14.407 2.270 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 13.050 1.310 -8.919 1.00 0.00 H new ATOM 1321 N THR B 82 19.555 1.928 -3.958 1.00 0.00 N ATOM 1322 CA THR B 82 20.298 1.711 -2.701 1.00 0.00 C ATOM 1323 C THR B 82 20.270 2.940 -1.783 1.00 0.00 C ATOM 1324 O THR B 82 20.158 2.815 -0.564 1.00 0.00 O ATOM 1325 CB THR B 82 21.770 1.334 -2.971 1.00 0.00 C ATOM 1326 OG1 THR B 82 22.344 2.237 -3.923 1.00 0.00 O ATOM 1327 CG2 THR B 82 21.886 -0.097 -3.484 1.00 0.00 C ATOM 0 H THR B 82 20.126 1.802 -4.794 1.00 0.00 H new ATOM 0 HA THR B 82 19.792 0.886 -2.199 1.00 0.00 H new ATOM 0 HB THR B 82 22.314 1.407 -2.029 1.00 0.00 H new ATOM 0 HG1 THR B 82 23.278 1.990 -4.086 1.00 0.00 H new ATOM 0 HG21 THR B 82 22.934 -0.335 -3.665 1.00 0.00 H new ATOM 0 HG22 THR B 82 21.482 -0.784 -2.741 1.00 0.00 H new ATOM 0 HG23 THR B 82 21.325 -0.197 -4.413 1.00 0.00 H new ATOM 1335 N ARG B 83 20.398 4.120 -2.391 1.00 0.00 N ATOM 1336 CA ARG B 83 20.414 5.402 -1.672 1.00 0.00 C ATOM 1337 C ARG B 83 19.124 5.699 -0.885 1.00 0.00 C ATOM 1338 O ARG B 83 19.197 6.183 0.240 1.00 0.00 O ATOM 1339 CB ARG B 83 20.683 6.548 -2.654 1.00 0.00 C ATOM 1340 CG ARG B 83 22.121 6.611 -3.150 1.00 0.00 C ATOM 1341 CD ARG B 83 22.310 7.726 -4.167 1.00 0.00 C ATOM 1342 NE ARG B 83 23.689 7.788 -4.665 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.083 8.491 -5.737 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.214 9.207 -6.449 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.358 8.474 -6.098 1.00 0.00 N ATOM 0 H ARG B 83 20.494 4.218 -3.402 1.00 0.00 H new ATOM 0 HA ARG B 83 21.214 5.321 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.018 6.443 -3.511 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.434 7.493 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.792 6.769 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.394 5.656 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG B 83 21.629 7.572 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG B 83 22.046 8.680 -3.712 1.00 0.00 H new ATOM 0 HE ARG B 83 24.399 7.258 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG B 83 22.230 9.227 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.533 9.735 -7.261 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.033 7.929 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG B 83 25.665 9.006 -6.912 1.00 0.00 H new ATOM 1359 N GLU B 84 17.951 5.387 -1.464 1.00 0.00 N ATOM 1360 CA GLU B 84 16.660 5.700 -0.845 1.00 0.00 C ATOM 1361 C GLU B 84 16.356 4.771 0.323 1.00 0.00 C ATOM 1362 O GLU B 84 15.860 5.205 1.364 1.00 0.00 O ATOM 1363 CB GLU B 84 15.539 5.631 -1.893 1.00 0.00 C ATOM 1364 CG GLU B 84 15.713 6.616 -3.045 1.00 0.00 C ATOM 1365 CD GLU B 84 14.580 6.554 -4.050 1.00 0.00 C ATOM 1366 OE1 GLU B 84 14.601 5.651 -4.912 1.00 0.00 O ATOM 1367 OE2 GLU B 84 13.673 7.409 -3.975 1.00 0.00 O1- ATOM 0 H GLU B 84 17.876 4.915 -2.365 1.00 0.00 H new ATOM 0 HA GLU B 84 16.717 6.715 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.493 4.619 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.584 5.823 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU B 84 15.782 7.627 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU B 84 16.655 6.410 -3.554 1.00 0.00 H new ATOM 1374 N THR B 85 16.680 3.493 0.125 1.00 0.00 N ATOM 1375 CA THR B 85 16.423 2.442 1.105 1.00 0.00 C ATOM 1376 C THR B 85 17.223 2.579 2.419 1.00 0.00 C ATOM 1377 O THR B 85 16.628 2.737 3.478 1.00 0.00 O ATOM 1378 CB THR B 85 16.629 1.036 0.477 1.00 0.00 C ATOM 1379 OG1 THR B 85 16.588 0.019 1.484 1.00 0.00 O ATOM 1380 CG2 THR B 85 17.934 0.937 -0.313 1.00 0.00 C ATOM 0 H THR B 85 17.131 3.158 -0.726 1.00 0.00 H new ATOM 0 HA THR B 85 15.378 2.564 1.389 1.00 0.00 H new ATOM 0 HB THR B 85 15.808 0.882 -0.223 1.00 0.00 H new ATOM 0 HG1 THR B 85 15.655 -0.194 1.696 1.00 0.00 H new ATOM 0 HG21 THR B 85 18.031 -0.065 -0.732 1.00 0.00 H new ATOM 0 HG22 THR B 85 17.927 1.669 -1.121 1.00 0.00 H new ATOM 0 HG23 THR B 85 18.776 1.136 0.349 1.00 0.00 H new ATOM 1388 N GLU B 86 18.557 2.521 2.356 1.00 0.00 N ATOM 1389 CA GLU B 86 19.385 2.603 3.572 1.00 0.00 C ATOM 1390 C GLU B 86 19.447 4.006 4.189 1.00 0.00 C ATOM 1391 O GLU B 86 19.402 4.124 5.412 1.00 0.00 O ATOM 1392 CB GLU B 86 20.788 2.020 3.363 1.00 0.00 C ATOM 1393 CG GLU B 86 21.505 2.480 2.097 1.00 0.00 C ATOM 1394 CD GLU B 86 22.811 1.747 1.870 1.00 0.00 C ATOM 1395 OE1 GLU B 86 22.787 0.676 1.226 1.00 0.00 O ATOM 1396 OE2 GLU B 86 23.859 2.242 2.333 1.00 0.00 O1- ATOM 0 H GLU B 86 19.085 2.419 1.489 1.00 0.00 H new ATOM 0 HA GLU B 86 18.871 1.978 4.302 1.00 0.00 H new ATOM 0 HB2 GLU B 86 21.403 2.281 4.224 1.00 0.00 H new ATOM 0 HB3 GLU B 86 20.712 0.933 3.343 1.00 0.00 H new ATOM 0 HG2 GLU B 86 20.852 2.327 1.238 1.00 0.00 H new ATOM 0 HG3 GLU B 86 21.700 3.550 2.162 1.00 0.00 H new ATOM 1403 N ARG B 87 19.566 5.064 3.360 1.00 0.00 N ATOM 1404 CA ARG B 87 19.606 6.453 3.875 1.00 0.00 C ATOM 1405 C ARG B 87 18.374 6.742 4.738 1.00 0.00 C ATOM 1406 O ARG B 87 18.472 7.393 5.782 1.00 0.00 O ATOM 1407 CB ARG B 87 19.713 7.475 2.742 1.00 0.00 C ATOM 1408 CG ARG B 87 21.111 7.583 2.151 1.00 0.00 C ATOM 1409 CD ARG B 87 21.174 8.632 1.054 1.00 0.00 C ATOM 1410 NE ARG B 87 22.519 8.743 0.479 1.00 0.00 N ATOM 1411 CZ ARG B 87 22.920 9.720 -0.347 1.00 0.00 C ATOM 1412 NH1 ARG B 87 22.091 10.696 -0.714 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 24.163 9.719 -0.807 1.00 0.00 N ATOM 0 H ARG B 87 19.635 4.988 2.345 1.00 0.00 H new ATOM 0 HA ARG B 87 20.500 6.547 4.491 1.00 0.00 H new ATOM 0 HB2 ARG B 87 19.013 7.204 1.952 1.00 0.00 H new ATOM 0 HB3 ARG B 87 19.409 8.453 3.116 1.00 0.00 H new ATOM 0 HG2 ARG B 87 21.821 7.836 2.938 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.412 6.616 1.748 1.00 0.00 H new ATOM 0 HD2 ARG B 87 20.463 8.378 0.268 1.00 0.00 H new ATOM 0 HD3 ARG B 87 20.871 9.598 1.458 1.00 0.00 H new ATOM 0 HE ARG B 87 23.199 8.024 0.726 1.00 0.00 H new ATOM 0 HH11 ARG B 87 21.132 10.709 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG B 87 22.415 11.431 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG B 87 24.808 8.978 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG B 87 24.475 10.459 -1.436 1.00 0.00 H new ATOM 1427 N LEU B 88 17.213 6.245 4.275 1.00 0.00 N ATOM 1428 CA LEU B 88 15.941 6.377 4.996 1.00 0.00 C ATOM 1429 C LEU B 88 15.994 5.540 6.286 1.00 0.00 C ATOM 1430 O LEU B 88 15.956 6.041 7.411 1.00 0.00 O ATOM 1431 CB LEU B 88 14.777 5.832 4.093 1.00 0.00 C ATOM 1432 CG LEU B 88 14.317 4.377 4.420 1.00 0.00 C ATOM 1433 CD1 LEU B 88 13.203 4.352 5.438 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.912 3.564 3.210 1.00 0.00 C ATOM 0 H LEU B 88 17.134 5.742 3.391 1.00 0.00 H new ATOM 0 HA LEU B 88 15.770 7.426 5.239 1.00 0.00 H new ATOM 0 HB2 LEU B 88 13.920 6.499 4.189 1.00 0.00 H new ATOM 0 HB3 LEU B 88 15.096 5.871 3.051 1.00 0.00 H new ATOM 0 HG LEU B 88 15.206 3.904 4.838 1.00 0.00 H new ATOM 0 HD11 LEU B 88 12.914 3.320 5.636 1.00 0.00 H new ATOM 0 HD12 LEU B 88 13.545 4.817 6.363 1.00 0.00 H new ATOM 0 HD13 LEU B 88 12.345 4.901 5.052 1.00 0.00 H new ATOM 0 HD21 LEU B 88 13.607 2.567 3.527 1.00 0.00 H new ATOM 0 HD22 LEU B 88 13.080 4.054 2.704 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.757 3.484 2.526 1.00 0.00 H new ATOM 1446 N ARG B 89 16.132 4.243 6.019 1.00 0.00 N ATOM 1447 CA ARG B 89 16.134 3.147 6.987 1.00 0.00 C ATOM 1448 C ARG B 89 17.154 3.318 8.124 1.00 0.00 C ATOM 1449 O ARG B 89 16.852 2.973 9.271 1.00 0.00 O ATOM 1450 CB ARG B 89 16.298 1.836 6.195 1.00 0.00 C ATOM 1451 CG ARG B 89 16.007 0.557 6.982 1.00 0.00 C ATOM 1452 CD ARG B 89 17.255 0.002 7.658 1.00 0.00 C ATOM 1453 NE ARG B 89 16.949 -1.158 8.503 1.00 0.00 N ATOM 1454 CZ ARG B 89 17.209 -1.239 9.817 1.00 0.00 C ATOM 1455 NH1 ARG B 89 17.786 -0.232 10.471 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 16.887 -2.341 10.480 1.00 0.00 N ATOM 0 H ARG B 89 16.253 3.908 5.063 1.00 0.00 H new ATOM 0 HA ARG B 89 15.186 3.135 7.525 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.637 1.869 5.329 1.00 0.00 H new ATOM 0 HB3 ARG B 89 17.318 1.785 5.815 1.00 0.00 H new ATOM 0 HG2 ARG B 89 15.247 0.761 7.736 1.00 0.00 H new ATOM 0 HG3 ARG B 89 15.594 -0.195 6.310 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.983 -0.284 6.898 1.00 0.00 H new ATOM 0 HD3 ARG B 89 17.717 0.781 8.264 1.00 0.00 H new ATOM 0 HE ARG B 89 16.506 -1.962 8.059 1.00 0.00 H new ATOM 0 HH11 ARG B 89 18.039 0.621 9.973 1.00 0.00 H new ATOM 0 HH12 ARG B 89 17.975 -0.314 11.470 1.00 0.00 H new ATOM 0 HH21 ARG B 89 16.445 -3.119 9.991 1.00 0.00 H new ATOM 0 HH22 ARG B 89 17.081 -2.410 11.479 1.00 0.00 H new ATOM 1470 N ARG B 90 18.351 3.826 7.801 1.00 0.00 N ATOM 1471 CA ARG B 90 19.418 4.048 8.797 1.00 0.00 C ATOM 1472 C ARG B 90 18.896 4.836 10.014 1.00 0.00 C ATOM 1473 O ARG B 90 19.250 4.528 11.155 1.00 0.00 O ATOM 1474 CB ARG B 90 20.598 4.793 8.150 1.00 0.00 C ATOM 1475 CG ARG B 90 21.963 4.448 8.744 1.00 0.00 C ATOM 1476 CD ARG B 90 22.570 3.211 8.094 1.00 0.00 C ATOM 1477 NE ARG B 90 23.873 2.867 8.673 1.00 0.00 N ATOM 1478 CZ ARG B 90 24.571 1.760 8.380 1.00 0.00 C ATOM 1479 NH1 ARG B 90 24.110 0.865 7.507 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 25.742 1.549 8.965 1.00 0.00 N ATOM 0 H ARG B 90 18.610 4.094 6.851 1.00 0.00 H new ATOM 0 HA ARG B 90 19.757 3.074 9.149 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.612 4.569 7.083 1.00 0.00 H new ATOM 0 HB3 ARG B 90 20.433 5.866 8.249 1.00 0.00 H new ATOM 0 HG2 ARG B 90 22.639 5.294 8.616 1.00 0.00 H new ATOM 0 HG3 ARG B 90 21.861 4.281 9.816 1.00 0.00 H new ATOM 0 HD2 ARG B 90 21.888 2.369 8.211 1.00 0.00 H new ATOM 0 HD3 ARG B 90 22.683 3.383 7.024 1.00 0.00 H new ATOM 0 HE ARG B 90 24.277 3.517 9.347 1.00 0.00 H new ATOM 0 HH11 ARG B 90 23.211 1.016 7.048 1.00 0.00 H new ATOM 0 HH12 ARG B 90 24.656 0.029 7.297 1.00 0.00 H new ATOM 0 HH21 ARG B 90 26.107 2.227 9.634 1.00 0.00 H new ATOM 0 HH22 ARG B 90 26.277 0.709 8.746 1.00 0.00 H new ATOM 1494 N GLN B 91 18.056 5.847 9.748 1.00 0.00 N ATOM 1495 CA GLN B 91 17.466 6.670 10.807 1.00 0.00 C ATOM 1496 C GLN B 91 16.063 6.165 11.184 1.00 0.00 C ATOM 1497 O GLN B 91 15.839 5.760 12.328 1.00 0.00 O ATOM 1498 CB GLN B 91 17.415 8.146 10.381 1.00 0.00 C ATOM 1499 CG GLN B 91 18.772 8.836 10.381 1.00 0.00 C ATOM 1500 CD GLN B 91 18.684 10.296 9.983 1.00 0.00 C ATOM 1501 OE1 GLN B 91 18.504 11.172 10.829 1.00 0.00 O ATOM 1502 NE2 GLN B 91 18.811 10.566 8.689 1.00 0.00 N ATOM 0 H GLN B 91 17.771 6.113 8.805 1.00 0.00 H new ATOM 0 HA GLN B 91 18.101 6.588 11.689 1.00 0.00 H new ATOM 0 HB2 GLN B 91 16.986 8.211 9.381 1.00 0.00 H new ATOM 0 HB3 GLN B 91 16.745 8.684 11.051 1.00 0.00 H new ATOM 0 HG2 GLN B 91 19.214 8.760 11.375 1.00 0.00 H new ATOM 0 HG3 GLN B 91 19.440 8.316 9.694 1.00 0.00 H new ATOM 0 HE21 GLN B 91 18.959 9.809 8.022 1.00 0.00 H new ATOM 0 HE22 GLN B 91 18.761 11.531 8.362 1.00 0.00 H new ATOM 1511 N LEU B 92 15.121 6.191 10.213 1.00 0.00 N ATOM 1512 CA LEU B 92 13.728 5.739 10.431 1.00 0.00 C ATOM 1513 C LEU B 92 12.992 5.580 9.086 1.00 0.00 C ATOM 1514 O LEU B 92 13.551 5.899 8.035 1.00 0.00 O ATOM 1515 CB LEU B 92 12.970 6.745 11.329 1.00 0.00 C ATOM 1516 CG LEU B 92 11.840 6.155 12.183 1.00 0.00 C ATOM 1517 CD1 LEU B 92 12.374 5.650 13.516 1.00 0.00 C ATOM 1518 CD2 LEU B 92 10.746 7.189 12.404 1.00 0.00 C ATOM 0 H LEU B 92 15.303 6.522 9.266 1.00 0.00 H new ATOM 0 HA LEU B 92 13.758 4.770 10.930 1.00 0.00 H new ATOM 0 HB2 LEU B 92 13.689 7.225 11.993 1.00 0.00 H new ATOM 0 HB3 LEU B 92 12.551 7.526 10.695 1.00 0.00 H new ATOM 0 HG LEU B 92 11.414 5.308 11.646 1.00 0.00 H new ATOM 0 HD11 LEU B 92 11.554 5.237 14.103 1.00 0.00 H new ATOM 0 HD12 LEU B 92 13.120 4.875 13.339 1.00 0.00 H new ATOM 0 HD13 LEU B 92 12.831 6.476 14.061 1.00 0.00 H new ATOM 0 HD21 LEU B 92 9.952 6.755 13.011 1.00 0.00 H new ATOM 0 HD22 LEU B 92 11.163 8.056 12.917 1.00 0.00 H new ATOM 0 HD23 LEU B 92 10.338 7.499 11.442 1.00 0.00 H new ATOM 1530 N LEU B 93 11.731 5.090 9.132 1.00 0.00 N ATOM 1531 CA LEU B 93 10.888 4.896 7.925 1.00 0.00 C ATOM 1532 C LEU B 93 10.821 6.191 7.105 1.00 0.00 C ATOM 1533 O LEU B 93 10.420 7.232 7.640 1.00 0.00 O ATOM 1534 CB LEU B 93 9.462 4.479 8.338 1.00 0.00 C ATOM 1535 CG LEU B 93 9.318 3.110 9.029 1.00 0.00 C ATOM 1536 CD1 LEU B 93 9.675 3.188 10.512 1.00 0.00 C ATOM 1537 CD2 LEU B 93 7.899 2.580 8.866 1.00 0.00 C ATOM 0 H LEU B 93 11.270 4.819 10.001 1.00 0.00 H new ATOM 0 HA LEU B 93 11.335 4.110 7.316 1.00 0.00 H new ATOM 0 HB2 LEU B 93 9.064 5.242 9.007 1.00 0.00 H new ATOM 0 HB3 LEU B 93 8.835 4.478 7.446 1.00 0.00 H new ATOM 0 HG LEU B 93 10.017 2.425 8.549 1.00 0.00 H new ATOM 0 HD11 LEU B 93 9.562 2.203 10.966 1.00 0.00 H new ATOM 0 HD12 LEU B 93 10.707 3.521 10.621 1.00 0.00 H new ATOM 0 HD13 LEU B 93 9.011 3.895 11.009 1.00 0.00 H new ATOM 0 HD21 LEU B 93 7.813 1.612 9.360 1.00 0.00 H new ATOM 0 HD22 LEU B 93 7.195 3.280 9.316 1.00 0.00 H new ATOM 0 HD23 LEU B 93 7.672 2.468 7.806 1.00 0.00 H new ATOM 1549 N GLU B 94 11.217 6.142 5.813 1.00 0.00 N ATOM 1550 CA GLU B 94 11.227 7.357 5.005 1.00 0.00 C ATOM 1551 C GLU B 94 10.958 7.227 3.480 1.00 0.00 C ATOM 1552 O GLU B 94 9.785 7.236 3.092 1.00 0.00 O ATOM 1553 CB GLU B 94 12.510 8.175 5.258 1.00 0.00 C ATOM 1554 CG GLU B 94 12.261 9.465 6.024 1.00 0.00 C ATOM 1555 CD GLU B 94 13.535 10.248 6.275 1.00 0.00 C ATOM 1556 OE1 GLU B 94 14.192 9.999 7.308 1.00 0.00 O ATOM 1557 OE2 GLU B 94 13.877 11.111 5.438 1.00 0.00 O1- ATOM 0 H GLU B 94 11.523 5.297 5.330 1.00 0.00 H new ATOM 0 HA GLU B 94 10.341 7.882 5.363 1.00 0.00 H new ATOM 0 HB2 GLU B 94 13.219 7.562 5.814 1.00 0.00 H new ATOM 0 HB3 GLU B 94 12.975 8.413 4.301 1.00 0.00 H new ATOM 0 HG2 GLU B 94 11.561 10.086 5.465 1.00 0.00 H new ATOM 0 HG3 GLU B 94 11.788 9.232 6.978 1.00 0.00 H new ATOM 1564 N VAL B 95 12.005 7.097 2.603 1.00 0.00 N ATOM 1565 CA VAL B 95 11.710 7.268 1.150 1.00 0.00 C ATOM 1566 C VAL B 95 11.059 6.105 0.312 1.00 0.00 C ATOM 1567 O VAL B 95 9.821 6.064 0.250 1.00 0.00 O ATOM 1568 CB VAL B 95 13.062 7.702 0.482 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.943 7.886 -1.034 1.00 0.00 C ATOM 1570 CG2 VAL B 95 13.580 8.998 1.103 1.00 0.00 C ATOM 0 H VAL B 95 12.974 6.893 2.849 1.00 0.00 H new ATOM 0 HA VAL B 95 10.897 7.994 1.130 1.00 0.00 H new ATOM 0 HB VAL B 95 13.766 6.890 0.667 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.909 8.186 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.633 6.947 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL B 95 12.203 8.657 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.518 9.281 0.625 1.00 0.00 H new ATOM 0 HG22 VAL B 95 12.845 9.790 0.958 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.747 8.849 2.170 1.00 0.00 H new ATOM 1580 N PHE B 96 11.843 5.113 -0.230 1.00 0.00 N ATOM 1581 CA PHE B 96 11.259 4.004 -1.026 1.00 0.00 C ATOM 1582 C PHE B 96 10.830 2.913 -0.124 1.00 0.00 C ATOM 1583 O PHE B 96 9.662 2.546 -0.003 1.00 0.00 O ATOM 1584 CB PHE B 96 12.185 3.469 -2.127 1.00 0.00 C ATOM 1585 CG PHE B 96 11.575 3.609 -3.499 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.750 2.617 -4.009 1.00 0.00 C ATOM 1587 CD2 PHE B 96 11.805 4.740 -4.265 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.170 2.750 -5.255 1.00 0.00 C ATOM 1589 CE2 PHE B 96 11.225 4.879 -5.513 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.407 3.882 -6.008 1.00 0.00 C ATOM 0 H PHE B 96 12.857 5.069 -0.127 1.00 0.00 H new ATOM 0 HA PHE B 96 10.397 4.418 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE B 96 13.133 4.006 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.407 2.419 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.559 1.729 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE B 96 12.444 5.522 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.531 1.969 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE B 96 11.412 5.766 -6.100 1.00 0.00 H new ATOM 0 HZ PHE B 96 9.954 3.988 -6.983 1.00 0.00 H new ATOM 1600 N TRP B 97 11.887 2.410 0.503 1.00 0.00 N ATOM 1601 CA TRP B 97 11.851 1.394 1.484 1.00 0.00 C ATOM 1602 C TRP B 97 10.974 1.933 2.630 1.00 0.00 C ATOM 1603 O TRP B 97 10.268 1.192 3.259 1.00 0.00 O ATOM 1604 CB TRP B 97 13.317 1.024 1.849 1.00 0.00 C ATOM 1605 CG TRP B 97 13.467 -0.073 2.870 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.902 -1.332 2.623 1.00 0.00 C ATOM 1607 CD2 TRP B 97 13.206 -0.011 4.287 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.902 -2.071 3.775 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.487 -1.284 4.816 1.00 0.00 C ATOM 1610 CE3 TRP B 97 12.758 0.986 5.160 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.332 -1.583 6.173 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 12.610 0.689 6.503 1.00 0.00 C ATOM 1613 CH2 TRP B 97 12.894 -0.586 6.996 1.00 0.00 C ATOM 0 H TRP B 97 12.834 2.736 0.311 1.00 0.00 H new ATOM 0 HA TRP B 97 11.401 0.455 1.163 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.836 0.725 0.939 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.818 1.917 2.223 1.00 0.00 H new ATOM 0 HD1 TRP B 97 14.206 -1.700 1.654 1.00 0.00 H new ATOM 0 HE1 TRP B 97 14.169 -3.053 3.847 1.00 0.00 H new ATOM 0 HE3 TRP B 97 12.531 1.975 4.790 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.551 -2.568 6.557 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 12.269 1.457 7.182 1.00 0.00 H new ATOM 0 HH2 TRP B 97 12.765 -0.787 8.049 1.00 0.00 H new ATOM 1624 N GLY B 98 11.054 3.249 2.887 1.00 0.00 N ATOM 1625 CA GLY B 98 10.267 3.899 3.936 1.00 0.00 C ATOM 1626 C GLY B 98 8.754 3.860 3.749 1.00 0.00 C ATOM 1627 O GLY B 98 8.122 2.873 4.123 1.00 0.00 O ATOM 0 H GLY B 98 11.664 3.885 2.374 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.509 3.429 4.889 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.579 4.941 4.006 1.00 0.00 H new ATOM 1631 N GLN B 99 8.191 4.930 3.135 1.00 0.00 N ATOM 1632 CA GLN B 99 6.719 5.109 2.940 1.00 0.00 C ATOM 1633 C GLN B 99 5.843 4.008 3.606 1.00 0.00 C ATOM 1634 O GLN B 99 5.222 3.179 2.932 1.00 0.00 O ATOM 1635 CB GLN B 99 6.400 5.247 1.445 1.00 0.00 C ATOM 1636 CG GLN B 99 6.758 6.608 0.854 1.00 0.00 C ATOM 1637 CD GLN B 99 5.725 7.678 1.160 1.00 0.00 C ATOM 1638 OE1 GLN B 99 5.813 8.371 2.173 1.00 0.00 O ATOM 1639 NE2 GLN B 99 4.739 7.818 0.282 1.00 0.00 N ATOM 0 H GLN B 99 8.743 5.700 2.757 1.00 0.00 H new ATOM 0 HA GLN B 99 6.452 6.029 3.459 1.00 0.00 H new ATOM 0 HB2 GLN B 99 6.937 4.473 0.897 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.336 5.066 1.293 1.00 0.00 H new ATOM 0 HG2 GLN B 99 7.726 6.924 1.243 1.00 0.00 H new ATOM 0 HG3 GLN B 99 6.865 6.512 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN B 99 4.704 7.222 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN B 99 4.016 8.522 0.435 1.00 0.00 H new ATOM 1648 N ASP B 100 5.811 4.042 4.961 1.00 0.00 N ATOM 1649 CA ASP B 100 5.063 3.089 5.829 1.00 0.00 C ATOM 1650 C ASP B 100 5.189 1.607 5.387 1.00 0.00 C ATOM 1651 O ASP B 100 6.224 0.983 5.626 1.00 0.00 O ATOM 1652 CB ASP B 100 3.593 3.527 5.968 1.00 0.00 C ATOM 1653 CG ASP B 100 3.453 4.778 6.816 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.543 5.891 6.254 1.00 0.00 O ATOM 1655 OD2 ASP B 100 3.265 4.645 8.043 1.00 0.00 O1- ATOM 0 H ASP B 100 6.315 4.748 5.497 1.00 0.00 H new ATOM 0 HA ASP B 100 5.533 3.129 6.812 1.00 0.00 H new ATOM 0 HB2 ASP B 100 3.174 3.710 4.979 1.00 0.00 H new ATOM 0 HB3 ASP B 100 3.014 2.719 6.415 1.00 0.00 H new ATOM 1660 N HIS B 101 4.135 1.061 4.749 1.00 0.00 N ATOM 1661 CA HIS B 101 4.096 -0.336 4.254 1.00 0.00 C ATOM 1662 C HIS B 101 5.258 -0.657 3.315 1.00 0.00 C ATOM 1663 O HIS B 101 5.786 -1.772 3.307 1.00 0.00 O ATOM 1664 CB HIS B 101 2.753 -0.643 3.609 1.00 0.00 C ATOM 1665 CG HIS B 101 1.770 -1.125 4.621 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.720 -2.434 5.045 1.00 0.00 N ATOM 1667 CD2 HIS B 101 0.850 -0.456 5.351 1.00 0.00 C ATOM 1668 CE1 HIS B 101 0.815 -2.549 5.996 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.273 -1.365 6.200 1.00 0.00 N ATOM 0 H HIS B 101 3.277 1.579 4.559 1.00 0.00 H new ATOM 0 HA HIS B 101 4.214 -0.988 5.120 1.00 0.00 H new ATOM 0 HB2 HIS B 101 2.368 0.252 3.120 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.882 -1.399 2.834 1.00 0.00 H new ATOM 0 HD1 HIS B 101 2.293 -3.195 4.680 1.00 0.00 H new ATOM 0 HD2 HIS B 101 0.614 0.595 5.279 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.561 -3.459 6.519 1.00 0.00 H new ATOM 1678 N LYS B 102 5.623 0.352 2.530 1.00 0.00 N ATOM 1679 CA LYS B 102 6.707 0.310 1.540 1.00 0.00 C ATOM 1680 C LYS B 102 8.021 -0.306 2.079 1.00 0.00 C ATOM 1681 O LYS B 102 8.768 -0.915 1.322 1.00 0.00 O ATOM 1682 CB LYS B 102 6.977 1.709 0.988 1.00 0.00 C ATOM 1683 CG LYS B 102 5.935 2.180 -0.026 1.00 0.00 C ATOM 1684 CD LYS B 102 6.590 2.766 -1.269 1.00 0.00 C ATOM 1685 CE LYS B 102 5.572 3.403 -2.203 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.015 4.673 -1.659 1.00 0.00 N1+ ATOM 0 H LYS B 102 5.157 1.259 2.563 1.00 0.00 H new ATOM 0 HA LYS B 102 6.361 -0.348 0.743 1.00 0.00 H new ATOM 0 HB2 LYS B 102 7.011 2.417 1.816 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.960 1.721 0.518 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.298 1.342 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.291 2.929 0.434 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.327 3.512 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.128 1.980 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS B 102 6.041 3.599 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS B 102 4.758 2.700 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.460 5.153 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 4.402 4.463 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 5.794 5.291 -1.355 1.00 0.00 H new ATOM 1700 N VAL B 103 8.275 -0.127 3.387 1.00 0.00 N ATOM 1701 CA VAL B 103 9.529 -0.547 4.086 1.00 0.00 C ATOM 1702 C VAL B 103 9.961 -1.953 3.708 1.00 0.00 C ATOM 1703 O VAL B 103 11.099 -2.158 3.304 1.00 0.00 O ATOM 1704 CB VAL B 103 9.397 -0.442 5.651 1.00 0.00 C ATOM 1705 CG1 VAL B 103 9.324 1.005 6.098 1.00 0.00 C ATOM 1706 CG2 VAL B 103 8.187 -1.205 6.208 1.00 0.00 C ATOM 0 H VAL B 103 7.607 0.323 4.013 1.00 0.00 H new ATOM 0 HA VAL B 103 10.297 0.150 3.751 1.00 0.00 H new ATOM 0 HB VAL B 103 10.296 -0.909 6.053 1.00 0.00 H new ATOM 0 HG11 VAL B 103 9.233 1.046 7.183 1.00 0.00 H new ATOM 0 HG12 VAL B 103 10.230 1.527 5.789 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.457 1.483 5.643 1.00 0.00 H new ATOM 0 HG21 VAL B 103 8.153 -1.093 7.292 1.00 0.00 H new ATOM 0 HG22 VAL B 103 7.272 -0.803 5.773 1.00 0.00 H new ATOM 0 HG23 VAL B 103 8.275 -2.262 5.955 1.00 0.00 H new ATOM 1716 N ASP B 104 9.101 -2.902 3.946 1.00 0.00 N ATOM 1717 CA ASP B 104 9.293 -4.276 3.538 1.00 0.00 C ATOM 1718 C ASP B 104 8.998 -4.487 2.032 1.00 0.00 C ATOM 1719 O ASP B 104 9.583 -5.357 1.382 1.00 0.00 O ATOM 1720 CB ASP B 104 8.593 -5.272 4.447 1.00 0.00 C ATOM 1721 CG ASP B 104 7.085 -5.074 4.564 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.664 -4.072 5.178 1.00 0.00 O1- ATOM 1723 OD2 ASP B 104 6.331 -5.924 4.041 1.00 0.00 O ATOM 0 H ASP B 104 8.223 -2.744 4.441 1.00 0.00 H new ATOM 0 HA ASP B 104 10.354 -4.490 3.662 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.786 -6.279 4.078 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.033 -5.207 5.442 1.00 0.00 H new ATOM 1728 N PHE B 105 8.064 -3.651 1.513 1.00 0.00 N ATOM 1729 CA PHE B 105 7.456 -3.804 0.174 1.00 0.00 C ATOM 1730 C PHE B 105 8.463 -3.864 -0.945 1.00 0.00 C ATOM 1731 O PHE B 105 8.289 -4.655 -1.876 1.00 0.00 O ATOM 1732 CB PHE B 105 6.422 -2.663 -0.129 1.00 0.00 C ATOM 1733 CG PHE B 105 6.769 -1.851 -1.397 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.670 -0.782 -1.355 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.235 -2.198 -2.636 1.00 0.00 C ATOM 1736 CE1 PHE B 105 8.012 -0.088 -2.501 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.581 -1.503 -3.783 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.468 -0.447 -3.714 1.00 0.00 C ATOM 0 H PHE B 105 7.710 -2.842 2.023 1.00 0.00 H new ATOM 0 HA PHE B 105 6.944 -4.766 0.211 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.431 -3.101 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.374 -1.988 0.726 1.00 0.00 H new ATOM 0 HD1 PHE B 105 8.107 -0.493 -0.410 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.540 -3.022 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.707 0.737 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.156 -1.788 -4.734 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.734 0.096 -4.609 1.00 0.00 H new ATOM 1748 N ILE B 106 9.507 -3.031 -0.865 1.00 0.00 N ATOM 1749 CA ILE B 106 10.466 -2.965 -1.976 1.00 0.00 C ATOM 1750 C ILE B 106 10.928 -4.337 -2.483 1.00 0.00 C ATOM 1751 O ILE B 106 10.600 -4.689 -3.618 1.00 0.00 O ATOM 1752 CB ILE B 106 11.745 -2.074 -1.736 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.230 -1.917 -0.279 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.517 -0.673 -2.295 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.244 -2.245 0.798 1.00 0.00 C ATOM 0 H ILE B 106 9.707 -2.415 -0.077 1.00 0.00 H new ATOM 0 HA ILE B 106 9.861 -2.472 -2.737 1.00 0.00 H new ATOM 0 HB ILE B 106 12.530 -2.627 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.106 -2.551 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.557 -0.887 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.405 -0.064 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.320 -0.736 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.663 -0.216 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.707 -2.094 1.773 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.374 -1.595 0.705 1.00 0.00 H new ATOM 0 HD13 ILE B 106 10.932 -3.285 0.701 1.00 0.00 H new ATOM 1767 N LEU B 107 11.593 -5.149 -1.679 1.00 0.00 N ATOM 1768 CA LEU B 107 12.076 -6.430 -2.204 1.00 0.00 C ATOM 1769 C LEU B 107 10.960 -7.474 -2.428 1.00 0.00 C ATOM 1770 O LEU B 107 10.995 -8.206 -3.420 1.00 0.00 O ATOM 1771 CB LEU B 107 13.325 -6.945 -1.423 1.00 0.00 C ATOM 1772 CG LEU B 107 13.198 -8.083 -0.346 1.00 0.00 C ATOM 1773 CD1 LEU B 107 11.997 -7.939 0.588 1.00 0.00 C ATOM 1774 CD2 LEU B 107 13.173 -9.455 -1.013 1.00 0.00 C ATOM 0 H LEU B 107 11.808 -4.963 -0.699 1.00 0.00 H new ATOM 0 HA LEU B 107 12.433 -6.242 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU B 107 14.046 -7.288 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU B 107 13.767 -6.082 -0.924 1.00 0.00 H new ATOM 0 HG LEU B 107 14.084 -7.983 0.281 1.00 0.00 H new ATOM 0 HD11 LEU B 107 11.987 -8.766 1.298 1.00 0.00 H new ATOM 0 HD12 LEU B 107 12.069 -6.996 1.130 1.00 0.00 H new ATOM 0 HD13 LEU B 107 11.077 -7.952 0.003 1.00 0.00 H new ATOM 0 HD21 LEU B 107 13.085 -10.229 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU B 107 12.321 -9.515 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU B 107 14.095 -9.603 -1.575 1.00 0.00 H new ATOM 1786 N GLN B 108 9.989 -7.538 -1.505 1.00 0.00 N ATOM 1787 CA GLN B 108 8.878 -8.499 -1.594 1.00 0.00 C ATOM 1788 C GLN B 108 7.834 -8.076 -2.655 1.00 0.00 C ATOM 1789 O GLN B 108 6.651 -7.874 -2.348 1.00 0.00 O ATOM 1790 CB GLN B 108 8.229 -8.663 -0.208 1.00 0.00 C ATOM 1791 CG GLN B 108 7.615 -10.037 0.028 1.00 0.00 C ATOM 1792 CD GLN B 108 6.995 -10.169 1.405 1.00 0.00 C ATOM 1793 OE1 GLN B 108 7.658 -10.570 2.361 1.00 0.00 O ATOM 1794 NE2 GLN B 108 5.714 -9.832 1.513 1.00 0.00 N ATOM 0 H GLN B 108 9.950 -6.933 -0.685 1.00 0.00 H new ATOM 0 HA GLN B 108 9.278 -9.460 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.981 -8.475 0.559 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.455 -7.905 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN B 108 6.854 -10.226 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN B 108 8.383 -10.800 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN B 108 5.202 -9.504 0.694 1.00 0.00 H new ATOM 0 HE22 GLN B 108 5.243 -9.901 2.415 1.00 0.00 H new ATOM 1803 N ARG B 109 8.298 -7.946 -3.908 1.00 0.00 N ATOM 1804 CA ARG B 109 7.437 -7.570 -5.035 1.00 0.00 C ATOM 1805 C ARG B 109 7.880 -8.290 -6.322 1.00 0.00 C ATOM 1806 O ARG B 109 7.603 -9.481 -6.484 1.00 0.00 O ATOM 1807 CB ARG B 109 7.413 -6.037 -5.228 1.00 0.00 C ATOM 1808 CG ARG B 109 6.511 -5.303 -4.243 1.00 0.00 C ATOM 1809 CD ARG B 109 5.069 -5.236 -4.732 1.00 0.00 C ATOM 1810 NE ARG B 109 4.182 -4.608 -3.746 1.00 0.00 N ATOM 1811 CZ ARG B 109 2.941 -4.172 -4.003 1.00 0.00 C ATOM 1812 NH1 ARG B 109 2.408 -4.284 -5.218 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 2.228 -3.619 -3.031 1.00 0.00 N ATOM 0 H ARG B 109 9.273 -8.098 -4.165 1.00 0.00 H new ATOM 0 HA ARG B 109 6.420 -7.888 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG B 109 8.428 -5.653 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG B 109 7.083 -5.814 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG B 109 6.543 -5.807 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG B 109 6.889 -4.292 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG B 109 5.029 -4.674 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG B 109 4.713 -6.243 -4.950 1.00 0.00 H new ATOM 0 HE ARG B 109 4.536 -4.495 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.946 -4.708 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG B 109 1.462 -3.946 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG B 109 2.625 -3.528 -2.096 1.00 0.00 H new ATOM 0 HH22 ARG B 109 1.283 -3.285 -3.219 1.00 0.00 H new ATOM 1827 N GLU B 110 8.570 -7.567 -7.230 1.00 0.00 N ATOM 1828 CA GLU B 110 9.047 -8.135 -8.502 1.00 0.00 C ATOM 1829 C GLU B 110 10.292 -7.400 -9.052 1.00 0.00 C ATOM 1830 O GLU B 110 11.229 -8.073 -9.490 1.00 0.00 O ATOM 1831 CB GLU B 110 7.934 -8.125 -9.567 1.00 0.00 C ATOM 1832 CG GLU B 110 6.989 -9.311 -9.473 1.00 0.00 C ATOM 1833 CD GLU B 110 5.902 -9.276 -10.529 1.00 0.00 C ATOM 1834 OE1 GLU B 110 4.831 -8.693 -10.259 1.00 0.00 O1- ATOM 1835 OE2 GLU B 110 6.122 -9.831 -11.626 1.00 0.00 O ATOM 0 H GLU B 110 8.808 -6.584 -7.101 1.00 0.00 H new ATOM 0 HA GLU B 110 9.334 -9.164 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU B 110 7.358 -7.204 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU B 110 8.390 -8.113 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU B 110 7.559 -10.234 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU B 110 6.530 -9.327 -8.485 1.00 0.00 H new ATOM 1842 N PRO B 111 10.348 -6.019 -9.050 1.00 0.00 N ATOM 1843 CA PRO B 111 11.513 -5.267 -9.588 1.00 0.00 C ATOM 1844 C PRO B 111 12.829 -5.536 -8.852 1.00 0.00 C ATOM 1845 O PRO B 111 12.836 -5.876 -7.665 1.00 0.00 O ATOM 1846 CB PRO B 111 11.112 -3.795 -9.420 1.00 0.00 C ATOM 1847 CG PRO B 111 9.634 -3.810 -9.286 1.00 0.00 C ATOM 1848 CD PRO B 111 9.313 -5.076 -8.553 1.00 0.00 C ATOM 0 HA PRO B 111 11.713 -5.567 -10.617 1.00 0.00 H new ATOM 0 HB2 PRO B 111 11.583 -3.356 -8.541 1.00 0.00 H new ATOM 0 HB3 PRO B 111 11.424 -3.201 -10.279 1.00 0.00 H new ATOM 0 HG2 PRO B 111 9.281 -2.938 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO B 111 9.151 -3.788 -10.263 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.373 -4.944 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO B 111 8.306 -5.428 -8.776 1.00 0.00 H new ATOM 1856 N TYR B 112 13.936 -5.373 -9.591 1.00 0.00 N ATOM 1857 CA TYR B 112 15.299 -5.581 -9.077 1.00 0.00 C ATOM 1858 C TYR B 112 15.736 -4.456 -8.120 1.00 0.00 C ATOM 1859 O TYR B 112 16.363 -4.719 -7.090 1.00 0.00 O ATOM 1860 CB TYR B 112 16.274 -5.695 -10.265 1.00 0.00 C ATOM 1861 CG TYR B 112 17.644 -6.263 -9.927 1.00 0.00 C ATOM 1862 CD1 TYR B 112 17.817 -7.615 -9.643 1.00 0.00 C ATOM 1863 CD2 TYR B 112 18.764 -5.443 -9.905 1.00 0.00 C ATOM 1864 CE1 TYR B 112 19.064 -8.128 -9.346 1.00 0.00 C ATOM 1865 CE2 TYR B 112 20.014 -5.949 -9.609 1.00 0.00 C ATOM 1866 CZ TYR B 112 20.159 -7.291 -9.331 1.00 0.00 C ATOM 1867 OH TYR B 112 21.404 -7.799 -9.036 1.00 0.00 O ATOM 0 H TYR B 112 13.911 -5.091 -10.571 1.00 0.00 H new ATOM 0 HA TYR B 112 15.310 -6.505 -8.499 1.00 0.00 H new ATOM 0 HB2 TYR B 112 15.817 -6.322 -11.030 1.00 0.00 H new ATOM 0 HB3 TYR B 112 16.407 -4.705 -10.702 1.00 0.00 H new ATOM 0 HD1 TYR B 112 16.961 -8.274 -9.655 1.00 0.00 H new ATOM 0 HD2 TYR B 112 18.656 -4.391 -10.123 1.00 0.00 H new ATOM 0 HE1 TYR B 112 19.181 -9.179 -9.127 1.00 0.00 H new ATOM 0 HE2 TYR B 112 20.874 -5.296 -9.595 1.00 0.00 H new ATOM 0 HH TYR B 112 22.089 -7.277 -9.503 1.00 0.00 H new ATOM 1877 N CYS B 113 15.399 -3.204 -8.479 1.00 0.00 N ATOM 1878 CA CYS B 113 15.750 -2.016 -7.679 1.00 0.00 C ATOM 1879 C CYS B 113 15.162 -2.067 -6.258 1.00 0.00 C ATOM 1880 O CYS B 113 15.839 -1.724 -5.286 1.00 0.00 O ATOM 1881 CB CYS B 113 15.274 -0.747 -8.390 1.00 0.00 C ATOM 1882 SG CYS B 113 16.023 -0.487 -10.015 1.00 0.00 S ATOM 0 H CYS B 113 14.878 -2.988 -9.329 1.00 0.00 H new ATOM 0 HA CYS B 113 16.836 -2.005 -7.582 1.00 0.00 H new ATOM 0 HB2 CYS B 113 14.191 -0.792 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS B 113 15.493 0.114 -7.759 1.00 0.00 H new ATOM 0 HG CYS B 113 17.296 -0.741 -9.952 1.00 0.00 H new ATOM 1888 N ARG B 114 13.906 -2.519 -6.151 1.00 0.00 N ATOM 1889 CA ARG B 114 13.208 -2.622 -4.877 1.00 0.00 C ATOM 1890 C ARG B 114 13.783 -3.808 -4.115 1.00 0.00 C ATOM 1891 O ARG B 114 13.950 -3.771 -2.893 1.00 0.00 O ATOM 1892 CB ARG B 114 11.686 -2.754 -5.079 1.00 0.00 C ATOM 1893 CG ARG B 114 11.060 -1.661 -5.942 1.00 0.00 C ATOM 1894 CD ARG B 114 9.549 -1.814 -6.023 1.00 0.00 C ATOM 1895 NE ARG B 114 8.941 -0.808 -6.901 1.00 0.00 N ATOM 1896 CZ ARG B 114 7.659 -0.814 -7.295 1.00 0.00 C ATOM 1897 NH1 ARG B 114 6.821 -1.771 -6.901 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 7.214 0.148 -8.092 1.00 0.00 N ATOM 0 H ARG B 114 13.350 -2.822 -6.951 1.00 0.00 H new ATOM 0 HA ARG B 114 13.358 -1.711 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.476 -3.722 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.202 -2.749 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG B 114 11.306 -0.683 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.485 -1.699 -6.945 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.305 -2.811 -6.390 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.122 -1.729 -5.024 1.00 0.00 H new ATOM 0 HE ARG B 114 9.536 -0.050 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG B 114 7.151 -2.517 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG B 114 5.850 -1.758 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG B 114 7.846 0.887 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG B 114 6.240 0.149 -8.395 1.00 0.00 H new ATOM 1912 N ASP B 115 14.073 -4.864 -4.893 1.00 0.00 N ATOM 1913 CA ASP B 115 14.660 -6.112 -4.411 1.00 0.00 C ATOM 1914 C ASP B 115 15.913 -5.865 -3.557 1.00 0.00 C ATOM 1915 O ASP B 115 16.099 -6.512 -2.539 1.00 0.00 O ATOM 1916 CB ASP B 115 15.010 -7.012 -5.603 1.00 0.00 C ATOM 1917 CG ASP B 115 15.002 -8.490 -5.248 1.00 0.00 C ATOM 1918 OD1 ASP B 115 16.062 -9.009 -4.838 1.00 0.00 O ATOM 1919 OD2 ASP B 115 13.935 -9.126 -5.380 1.00 0.00 O1- ATOM 0 H ASP B 115 13.899 -4.867 -5.898 1.00 0.00 H new ATOM 0 HA ASP B 115 13.922 -6.604 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP B 115 14.298 -6.833 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP B 115 15.995 -6.739 -5.981 1.00 0.00 H new ATOM 1924 N ILE B 116 16.742 -4.897 -3.972 1.00 0.00 N ATOM 1925 CA ILE B 116 18.000 -4.598 -3.291 1.00 0.00 C ATOM 1926 C ILE B 116 17.713 -3.830 -2.000 1.00 0.00 C ATOM 1927 O ILE B 116 18.324 -4.071 -0.960 1.00 0.00 O ATOM 1928 CB ILE B 116 19.016 -3.852 -4.238 1.00 0.00 C ATOM 1929 CG1 ILE B 116 20.450 -3.908 -3.682 1.00 0.00 C ATOM 1930 CG2 ILE B 116 18.621 -2.403 -4.522 1.00 0.00 C ATOM 1931 CD1 ILE B 116 21.226 -5.138 -4.110 1.00 0.00 C ATOM 0 H ILE B 116 16.558 -4.306 -4.783 1.00 0.00 H new ATOM 0 HA ILE B 116 18.490 -5.533 -3.021 1.00 0.00 H new ATOM 0 HB ILE B 116 18.981 -4.388 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE B 116 20.990 -3.018 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE B 116 20.409 -3.877 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE B 116 19.361 -1.946 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE B 116 17.644 -2.380 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE B 116 18.576 -1.848 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.226 -5.105 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE B 116 20.710 -6.033 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.300 -5.161 -5.197 1.00 0.00 H new ATOM 1943 N ASN B 117 16.747 -2.914 -2.118 1.00 0.00 N ATOM 1944 CA ASN B 117 16.322 -2.039 -1.037 1.00 0.00 C ATOM 1945 C ASN B 117 15.978 -2.782 0.280 1.00 0.00 C ATOM 1946 O ASN B 117 16.675 -2.591 1.269 1.00 0.00 O ATOM 1947 CB ASN B 117 15.132 -1.231 -1.554 1.00 0.00 C ATOM 1948 CG ASN B 117 15.518 -0.050 -2.439 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.853 0.986 -2.424 1.00 0.00 O ATOM 1950 ND2 ASN B 117 16.586 -0.197 -3.218 1.00 0.00 N ATOM 0 H ASN B 117 16.233 -2.762 -2.986 1.00 0.00 H new ATOM 0 HA ASN B 117 17.154 -1.390 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.474 -1.893 -2.117 1.00 0.00 H new ATOM 0 HB3 ASN B 117 14.560 -0.862 -0.703 1.00 0.00 H new ATOM 0 HD21 ASN B 117 16.879 0.564 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.112 -1.071 -3.203 1.00 0.00 H new ATOM 1957 N GLN B 118 14.930 -3.630 0.310 1.00 0.00 N ATOM 1958 CA GLN B 118 14.593 -4.384 1.542 1.00 0.00 C ATOM 1959 C GLN B 118 15.550 -5.543 1.772 1.00 0.00 C ATOM 1960 O GLN B 118 16.076 -5.720 2.872 1.00 0.00 O ATOM 1961 CB GLN B 118 13.167 -4.929 1.530 1.00 0.00 C ATOM 1962 CG GLN B 118 12.434 -4.796 2.849 1.00 0.00 C ATOM 1963 CD GLN B 118 12.068 -6.142 3.452 1.00 0.00 C ATOM 1964 OE1 GLN B 118 10.998 -6.685 3.181 1.00 0.00 O ATOM 1965 NE2 GLN B 118 12.955 -6.690 4.271 1.00 0.00 N ATOM 0 H GLN B 118 14.313 -3.810 -0.482 1.00 0.00 H new ATOM 0 HA GLN B 118 14.685 -3.662 2.354 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.599 -4.409 0.759 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.196 -5.982 1.249 1.00 0.00 H new ATOM 0 HG2 GLN B 118 13.057 -4.244 3.553 1.00 0.00 H new ATOM 0 HG3 GLN B 118 11.527 -4.210 2.699 1.00 0.00 H new ATOM 0 HE21 GLN B 118 13.831 -6.208 4.470 1.00 0.00 H new ATOM 0 HE22 GLN B 118 12.761 -7.594 4.702 1.00 0.00 H new ATOM 1974 N LEU B 119 15.760 -6.326 0.706 1.00 0.00 N ATOM 1975 CA LEU B 119 16.612 -7.506 0.744 1.00 0.00 C ATOM 1976 C LEU B 119 17.997 -7.183 1.317 1.00 0.00 C ATOM 1977 O LEU B 119 18.336 -7.645 2.410 1.00 0.00 O ATOM 1978 CB LEU B 119 16.712 -8.067 -0.683 1.00 0.00 C ATOM 1979 CG LEU B 119 17.399 -9.438 -0.844 1.00 0.00 C ATOM 1980 CD1 LEU B 119 16.445 -10.582 -0.522 1.00 0.00 C ATOM 1981 CD2 LEU B 119 17.952 -9.588 -2.254 1.00 0.00 C ATOM 0 H LEU B 119 15.339 -6.152 -0.207 1.00 0.00 H new ATOM 0 HA LEU B 119 16.175 -8.254 1.406 1.00 0.00 H new ATOM 0 HB2 LEU B 119 15.704 -8.142 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU B 119 17.250 -7.343 -1.296 1.00 0.00 H new ATOM 0 HG LEU B 119 18.224 -9.484 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU B 119 16.963 -11.533 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU B 119 16.099 -10.489 0.507 1.00 0.00 H new ATOM 0 HD13 LEU B 119 15.590 -10.544 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU B 119 18.434 -10.560 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU B 119 17.138 -9.511 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU B 119 18.681 -8.800 -2.445 1.00 0.00 H new ATOM 1993 N SER B 120 18.748 -6.322 0.620 1.00 0.00 N ATOM 1994 CA SER B 120 20.089 -5.952 1.061 1.00 0.00 C ATOM 1995 C SER B 120 20.071 -5.029 2.282 1.00 0.00 C ATOM 1996 O SER B 120 20.763 -5.302 3.262 1.00 0.00 O ATOM 1997 CB SER B 120 20.875 -5.301 -0.080 1.00 0.00 C ATOM 1998 OG SER B 120 20.971 -6.171 -1.193 1.00 0.00 O ATOM 0 H SER B 120 18.448 -5.873 -0.246 1.00 0.00 H new ATOM 0 HA SER B 120 20.586 -6.875 1.359 1.00 0.00 H new ATOM 0 HB2 SER B 120 20.386 -4.374 -0.380 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.874 -5.037 0.267 1.00 0.00 H new ATOM 0 HG SER B 120 21.868 -6.105 -1.583 1.00 0.00 H new ATOM 2004 N GLU B 121 19.279 -3.943 2.226 1.00 0.00 N ATOM 2005 CA GLU B 121 19.239 -2.974 3.328 1.00 0.00 C ATOM 2006 C GLU B 121 18.457 -3.452 4.565 1.00 0.00 C ATOM 2007 O GLU B 121 19.075 -3.598 5.625 1.00 0.00 O ATOM 2008 CB GLU B 121 18.765 -1.614 2.821 1.00 0.00 C ATOM 2009 CG GLU B 121 19.814 -0.888 1.975 1.00 0.00 C ATOM 2010 CD GLU B 121 20.095 -1.536 0.621 1.00 0.00 C ATOM 2011 OE1 GLU B 121 19.140 -1.756 -0.148 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 21.276 -1.827 0.342 1.00 0.00 O ATOM 0 H GLU B 121 18.668 -3.719 1.441 1.00 0.00 H new ATOM 0 HA GLU B 121 20.262 -2.871 3.689 1.00 0.00 H new ATOM 0 HB2 GLU B 121 17.860 -1.749 2.229 1.00 0.00 H new ATOM 0 HB3 GLU B 121 18.498 -0.989 3.673 1.00 0.00 H new ATOM 0 HG2 GLU B 121 19.484 0.138 1.811 1.00 0.00 H new ATOM 0 HG3 GLU B 121 20.745 -0.837 2.539 1.00 0.00 H new ATOM 2019 N ALA B 122 17.116 -3.689 4.471 1.00 0.00 N ATOM 2020 CA ALA B 122 16.358 -4.188 5.643 1.00 0.00 C ATOM 2021 C ALA B 122 16.951 -5.445 6.319 1.00 0.00 C ATOM 2022 O ALA B 122 16.981 -5.504 7.552 1.00 0.00 O ATOM 2023 CB ALA B 122 14.929 -4.468 5.263 1.00 0.00 C ATOM 0 H ALA B 122 16.561 -3.547 3.627 1.00 0.00 H new ATOM 0 HA ALA B 122 16.424 -3.385 6.377 1.00 0.00 H new ATOM 0 HB1 ALA B 122 14.386 -4.834 6.134 1.00 0.00 H new ATOM 0 HB2 ALA B 122 14.462 -3.551 4.903 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.903 -5.222 4.476 1.00 0.00 H new ATOM 2029 N LEU B 123 17.423 -6.443 5.536 1.00 0.00 N ATOM 2030 CA LEU B 123 17.963 -7.687 6.127 1.00 0.00 C ATOM 2031 C LEU B 123 19.336 -7.509 6.794 1.00 0.00 C ATOM 2032 O LEU B 123 19.532 -7.961 7.924 1.00 0.00 O ATOM 2033 CB LEU B 123 18.034 -8.808 5.081 1.00 0.00 C ATOM 2034 CG LEU B 123 16.889 -9.830 5.128 1.00 0.00 C ATOM 2035 CD1 LEU B 123 16.719 -10.500 3.774 1.00 0.00 C ATOM 2036 CD2 LEU B 123 17.140 -10.883 6.203 1.00 0.00 C ATOM 0 H LEU B 123 17.441 -6.413 4.517 1.00 0.00 H new ATOM 0 HA LEU B 123 17.263 -7.963 6.915 1.00 0.00 H new ATOM 0 HB2 LEU B 123 18.053 -8.355 4.090 1.00 0.00 H new ATOM 0 HB3 LEU B 123 18.977 -9.339 5.207 1.00 0.00 H new ATOM 0 HG LEU B 123 15.972 -9.296 5.377 1.00 0.00 H new ATOM 0 HD11 LEU B 123 15.903 -11.221 3.825 1.00 0.00 H new ATOM 0 HD12 LEU B 123 16.490 -9.746 3.021 1.00 0.00 H new ATOM 0 HD13 LEU B 123 17.642 -11.014 3.504 1.00 0.00 H new ATOM 0 HD21 LEU B 123 16.314 -11.594 6.215 1.00 0.00 H new ATOM 0 HD22 LEU B 123 18.070 -11.410 5.987 1.00 0.00 H new ATOM 0 HD23 LEU B 123 17.216 -10.398 7.176 1.00 0.00 H new ATOM 2048 N LEU B 124 20.273 -6.844 6.099 1.00 0.00 N ATOM 2049 CA LEU B 124 21.640 -6.627 6.616 1.00 0.00 C ATOM 2050 C LEU B 124 21.670 -5.659 7.809 1.00 0.00 C ATOM 2051 O LEU B 124 22.396 -5.888 8.779 1.00 0.00 O ATOM 2052 CB LEU B 124 22.558 -6.102 5.487 1.00 0.00 C ATOM 2053 CG LEU B 124 24.029 -6.602 5.452 1.00 0.00 C ATOM 2054 CD1 LEU B 124 24.814 -6.159 6.684 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.107 -8.120 5.283 1.00 0.00 C ATOM 0 H LEU B 124 20.111 -6.445 5.174 1.00 0.00 H new ATOM 0 HA LEU B 124 22.006 -7.590 6.971 1.00 0.00 H new ATOM 0 HB2 LEU B 124 22.095 -6.358 4.534 1.00 0.00 H new ATOM 0 HB3 LEU B 124 22.576 -5.014 5.550 1.00 0.00 H new ATOM 0 HG LEU B 124 24.492 -6.140 4.580 1.00 0.00 H new ATOM 0 HD11 LEU B 124 25.836 -6.531 6.617 1.00 0.00 H new ATOM 0 HD12 LEU B 124 24.826 -5.070 6.735 1.00 0.00 H new ATOM 0 HD13 LEU B 124 24.340 -6.559 7.580 1.00 0.00 H new ATOM 0 HD21 LEU B 124 25.152 -8.431 5.263 1.00 0.00 H new ATOM 0 HD22 LEU B 124 23.600 -8.605 6.117 1.00 0.00 H new ATOM 0 HD23 LEU B 124 23.625 -8.407 4.348 1.00 0.00 H new ATOM 2067 N SER B 125 20.874 -4.584 7.721 1.00 0.00 N ATOM 2068 CA SER B 125 20.800 -3.558 8.773 1.00 0.00 C ATOM 2069 C SER B 125 20.131 -4.077 10.058 1.00 0.00 C ATOM 2070 O SER B 125 20.587 -3.767 11.163 1.00 0.00 O ATOM 2071 CB SER B 125 20.048 -2.329 8.250 1.00 0.00 C ATOM 2072 OG SER B 125 20.187 -1.227 9.133 1.00 0.00 O ATOM 0 H SER B 125 20.266 -4.401 6.923 1.00 0.00 H new ATOM 0 HA SER B 125 21.823 -3.286 9.032 1.00 0.00 H new ATOM 0 HB2 SER B 125 20.428 -2.059 7.265 1.00 0.00 H new ATOM 0 HB3 SER B 125 18.992 -2.570 8.129 1.00 0.00 H new ATOM 0 HG SER B 125 19.699 -0.457 8.774 1.00 0.00 H new ATOM 2078 N LEU B 126 19.052 -4.864 9.900 1.00 0.00 N ATOM 2079 CA LEU B 126 18.292 -5.414 11.037 1.00 0.00 C ATOM 2080 C LEU B 126 19.144 -6.328 11.941 1.00 0.00 C ATOM 2081 O LEU B 126 19.214 -6.102 13.152 1.00 0.00 O ATOM 2082 CB LEU B 126 17.055 -6.176 10.522 1.00 0.00 C ATOM 2083 CG LEU B 126 15.890 -6.311 11.514 1.00 0.00 C ATOM 2084 CD1 LEU B 126 14.985 -5.085 11.463 1.00 0.00 C ATOM 2085 CD2 LEU B 126 15.093 -7.574 11.226 1.00 0.00 C ATOM 0 H LEU B 126 18.684 -5.135 8.988 1.00 0.00 H new ATOM 0 HA LEU B 126 17.978 -4.570 11.651 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.689 -5.673 9.627 1.00 0.00 H new ATOM 0 HB3 LEU B 126 17.368 -7.176 10.220 1.00 0.00 H new ATOM 0 HG LEU B 126 16.306 -6.382 12.519 1.00 0.00 H new ATOM 0 HD11 LEU B 126 14.168 -5.206 12.175 1.00 0.00 H new ATOM 0 HD12 LEU B 126 15.561 -4.196 11.720 1.00 0.00 H new ATOM 0 HD13 LEU B 126 14.577 -4.975 10.458 1.00 0.00 H new ATOM 0 HD21 LEU B 126 14.271 -7.656 11.937 1.00 0.00 H new ATOM 0 HD22 LEU B 126 14.693 -7.529 10.213 1.00 0.00 H new ATOM 0 HD23 LEU B 126 15.743 -8.444 11.321 1.00 0.00 H new ATOM 2097 N ASN B 127 19.786 -7.354 11.351 1.00 0.00 N ATOM 2098 CA ASN B 127 20.622 -8.299 12.115 1.00 0.00 C ATOM 2099 C ASN B 127 21.949 -7.668 12.571 1.00 0.00 C ATOM 2100 O ASN B 127 22.260 -7.675 13.766 1.00 0.00 O ATOM 2101 CB ASN B 127 20.879 -9.605 11.324 1.00 0.00 C ATOM 2102 CG ASN B 127 21.218 -9.402 9.849 1.00 0.00 C ATOM 2103 OD1 ASN B 127 21.767 -8.375 9.449 1.00 0.00 O ATOM 2104 ND2 ASN B 127 20.885 -10.393 9.030 1.00 0.00 N ATOM 0 H ASN B 127 19.742 -7.549 10.351 1.00 0.00 H new ATOM 0 HA ASN B 127 20.057 -8.553 13.012 1.00 0.00 H new ATOM 0 HB2 ASN B 127 21.697 -10.147 11.799 1.00 0.00 H new ATOM 0 HB3 ASN B 127 19.994 -10.237 11.396 1.00 0.00 H new ATOM 0 HD21 ASN B 127 21.083 -10.318 8.032 1.00 0.00 H new ATOM 0 HD22 ASN B 127 20.431 -11.229 9.399 1.00 0.00 H new ATOM 2111 N PHE B 128 22.720 -7.127 11.613 1.00 0.00 N ATOM 2112 CA PHE B 128 24.012 -6.487 11.903 1.00 0.00 C ATOM 2113 C PHE B 128 23.832 -5.127 12.588 1.00 0.00 C ATOM 2114 O PHE B 128 23.212 -4.228 11.976 1.00 0.00 O ATOM 2115 CB PHE B 128 24.828 -6.332 10.614 1.00 0.00 C ATOM 2116 CG PHE B 128 25.451 -7.616 10.136 1.00 0.00 C ATOM 2117 CD1 PHE B 128 24.747 -8.483 9.314 1.00 0.00 C ATOM 2118 CD2 PHE B 128 26.743 -7.953 10.510 1.00 0.00 C ATOM 2119 CE1 PHE B 128 25.320 -9.662 8.875 1.00 0.00 C ATOM 2120 CE2 PHE B 128 27.320 -9.131 10.074 1.00 0.00 C ATOM 2121 CZ PHE B 128 26.608 -9.986 9.255 1.00 0.00 C ATOM 2122 OXT PHE B 128 24.312 -4.975 13.730 1.00 0.00 O1- ATOM 0 H PHE B 128 22.468 -7.121 10.625 1.00 0.00 H new ATOM 0 HA PHE B 128 24.554 -7.133 12.594 1.00 0.00 H new ATOM 0 HB2 PHE B 128 24.181 -5.938 9.830 1.00 0.00 H new ATOM 0 HB3 PHE B 128 25.615 -5.596 10.778 1.00 0.00 H new ATOM 0 HD1 PHE B 128 23.740 -8.234 9.013 1.00 0.00 H new ATOM 0 HD2 PHE B 128 27.305 -7.288 11.149 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.761 -10.329 8.236 1.00 0.00 H new ATOM 0 HE2 PHE B 128 28.327 -9.383 10.373 1.00 0.00 H new ATOM 0 HZ PHE B 128 27.058 -10.906 8.912 1.00 0.00 H new TER 2132 PHE B 128