USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 684 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.0127 (180deg=-0.469) USER MOD Single : A 2 SER OG : rot 104:sc= 0.0213 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.165 X(o=0.17,f=-0.073) USER MOD Single : A 16 THR OG1 : rot 157:sc= 1.65 USER MOD Single : A 17 THR OG1 : rot 36:sc= -0.0184 USER MOD Single : A 18 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 19 MET CE :methyl -119:sc= -1.33 (180deg=-5.01!) USER MOD Single : A 20 MET CE :methyl -170:sc= 0 (180deg=-0.0452) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 51:sc= 0.316 USER MOD Single : A 30 TYR OH : rot -1:sc= 0.96 USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= -0.674 (180deg=-3.07!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0322 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -123:sc= 1.98 (180deg=-0.533) USER MOD Single : A 35 GLN : amide:sc= -2.66 K(o=-2.7,f=-5.1!) USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 41 CYS SG : rot 77:sc= 0.827 USER MOD Single : A 42 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00735) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.527 K(o=-0.53,f=-0.022) USER MOD Single : A 52 GLN : amide:sc= -3.02! K(o=-3!,f=-0.49) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.146 (180deg=-0.648) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.986 K(o=-0.99,f=-5.9!) USER MOD Single : A 66 MET CE :methyl -171:sc= -3.67 (180deg=-3.91!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -114:sc= -0.462 (180deg=-2.53!) USER MOD Single : A 75 TYR OH : rot 117:sc= -0.505! USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= -0.405 (180deg=-1.45!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.804 K(o=0.8,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.374 -0.332 0.360 1.00 62.12 N ATOM 2 CA MET A 1 2.108 -0.275 -0.899 1.00 70.22 C ATOM 3 C MET A 1 3.447 -0.996 -0.781 1.00 71.41 C ATOM 4 O MET A 1 3.938 -1.236 0.322 1.00 61.53 O ATOM 5 CB MET A 1 2.334 1.179 -1.317 1.00 72.03 C ATOM 6 CG MET A 1 1.046 1.951 -1.551 1.00 54.21 C ATOM 7 SD MET A 1 0.168 1.407 -3.029 1.00 41.13 S ATOM 8 CE MET A 1 -1.435 2.162 -2.769 1.00 0.24 C ATOM 0 H1 MET A 1 0.408 -0.674 0.183 1.00 62.12 H new ATOM 0 H2 MET A 1 1.857 -0.981 1.014 1.00 62.12 H new ATOM 0 H3 MET A 1 1.333 0.618 0.781 1.00 62.12 H new ATOM 0 HA MET A 1 1.511 -0.776 -1.661 1.00 70.22 H new ATOM 0 HB2 MET A 1 2.916 1.684 -0.546 1.00 72.03 H new ATOM 0 HB3 MET A 1 2.930 1.198 -2.229 1.00 72.03 H new ATOM 0 HG2 MET A 1 0.396 1.836 -0.684 1.00 54.21 H new ATOM 0 HG3 MET A 1 1.275 3.013 -1.639 1.00 54.21 H new ATOM 0 HE1 MET A 1 -2.093 1.916 -3.603 1.00 0.24 H new ATOM 0 HE2 MET A 1 -1.868 1.786 -1.842 1.00 0.24 H new ATOM 0 HE3 MET A 1 -1.321 3.244 -2.704 1.00 0.24 H new ATOM 18 N SER A 2 4.032 -1.340 -1.924 1.00 41.42 N ATOM 19 CA SER A 2 5.312 -2.037 -1.948 1.00 64.12 C ATOM 20 C SER A 2 6.369 -1.209 -2.674 1.00 34.22 C ATOM 21 O SER A 2 7.340 -1.748 -3.203 1.00 20.40 O ATOM 22 CB SER A 2 5.162 -3.400 -2.626 1.00 71.25 C ATOM 23 OG SER A 2 3.810 -3.824 -2.625 1.00 54.24 O ATOM 0 H SER A 2 3.640 -1.147 -2.846 1.00 41.42 H new ATOM 0 HA SER A 2 5.636 -2.185 -0.918 1.00 64.12 H new ATOM 0 HB2 SER A 2 5.527 -3.342 -3.651 1.00 71.25 H new ATOM 0 HB3 SER A 2 5.778 -4.136 -2.109 1.00 71.25 H new ATOM 0 HG SER A 2 3.430 -3.706 -3.520 1.00 54.24 H new ATOM 29 N ALA A 3 6.170 0.105 -2.694 1.00 24.21 N ATOM 30 CA ALA A 3 7.106 1.008 -3.352 1.00 54.52 C ATOM 31 C ALA A 3 8.144 1.536 -2.368 1.00 50.20 C ATOM 32 O ALA A 3 9.270 1.854 -2.750 1.00 64.43 O ATOM 33 CB ALA A 3 6.356 2.163 -4.001 1.00 61.42 C ATOM 0 H ALA A 3 5.370 0.567 -2.262 1.00 24.21 H new ATOM 0 HA ALA A 3 7.630 0.448 -4.126 1.00 54.52 H new ATOM 0 HB1 ALA A 3 7.067 2.830 -4.489 1.00 61.42 H new ATOM 0 HB2 ALA A 3 5.657 1.773 -4.741 1.00 61.42 H new ATOM 0 HB3 ALA A 3 5.806 2.714 -3.238 1.00 61.42 H new ATOM 39 N ASP A 4 7.758 1.628 -1.100 1.00 54.24 N ATOM 40 CA ASP A 4 8.656 2.118 -0.061 1.00 33.51 C ATOM 41 C ASP A 4 9.366 0.959 0.633 1.00 41.42 C ATOM 42 O ASP A 4 10.456 1.126 1.181 1.00 31.41 O ATOM 43 CB ASP A 4 7.880 2.945 0.965 1.00 31.55 C ATOM 44 CG ASP A 4 8.771 3.907 1.726 1.00 33.22 C ATOM 45 OD1 ASP A 4 9.447 4.730 1.075 1.00 53.02 O ATOM 46 OD2 ASP A 4 8.793 3.836 2.973 1.00 15.21 O ATOM 0 H ASP A 4 6.829 1.370 -0.767 1.00 54.24 H new ATOM 0 HA ASP A 4 9.407 2.751 -0.533 1.00 33.51 H new ATOM 0 HB2 ASP A 4 7.095 3.506 0.457 1.00 31.55 H new ATOM 0 HB3 ASP A 4 7.388 2.275 1.670 1.00 31.55 H new ATOM 51 N ASP A 5 8.741 -0.213 0.606 1.00 43.53 N ATOM 52 CA ASP A 5 9.313 -1.399 1.232 1.00 44.20 C ATOM 53 C ASP A 5 10.399 -2.008 0.351 1.00 64.11 C ATOM 54 O ASP A 5 11.079 -2.954 0.750 1.00 5.31 O ATOM 55 CB ASP A 5 8.221 -2.434 1.506 1.00 3.12 C ATOM 56 CG ASP A 5 7.273 -1.998 2.606 1.00 4.11 C ATOM 57 OD1 ASP A 5 6.325 -1.242 2.307 1.00 2.35 O ATOM 58 OD2 ASP A 5 7.479 -2.413 3.765 1.00 22.53 O ATOM 0 H ASP A 5 7.838 -0.367 0.157 1.00 43.53 H new ATOM 0 HA ASP A 5 9.764 -1.099 2.178 1.00 44.20 H new ATOM 0 HB2 ASP A 5 7.655 -2.611 0.592 1.00 3.12 H new ATOM 0 HB3 ASP A 5 8.684 -3.381 1.783 1.00 3.12 H new ATOM 63 N PHE A 6 10.556 -1.461 -0.850 1.00 21.00 N ATOM 64 CA PHE A 6 11.558 -1.952 -1.789 1.00 1.11 C ATOM 65 C PHE A 6 12.931 -2.031 -1.127 1.00 72.14 C ATOM 66 O PHE A 6 13.748 -2.885 -1.470 1.00 25.53 O ATOM 67 CB PHE A 6 11.624 -1.044 -3.019 1.00 13.23 C ATOM 68 CG PHE A 6 12.369 0.238 -2.778 1.00 70.23 C ATOM 69 CD1 PHE A 6 11.924 1.146 -1.832 1.00 0.44 C ATOM 70 CD2 PHE A 6 13.514 0.534 -3.500 1.00 3.34 C ATOM 71 CE1 PHE A 6 12.608 2.327 -1.608 1.00 33.44 C ATOM 72 CE2 PHE A 6 14.202 1.713 -3.280 1.00 23.43 C ATOM 73 CZ PHE A 6 13.748 2.610 -2.334 1.00 12.45 C ATOM 0 H PHE A 6 10.002 -0.677 -1.196 1.00 21.00 H new ATOM 0 HA PHE A 6 11.266 -2.955 -2.102 1.00 1.11 H new ATOM 0 HB2 PHE A 6 12.103 -1.585 -3.835 1.00 13.23 H new ATOM 0 HB3 PHE A 6 10.610 -0.810 -3.343 1.00 13.23 H new ATOM 0 HD1 PHE A 6 11.032 0.929 -1.262 1.00 0.44 H new ATOM 0 HD2 PHE A 6 13.873 -0.164 -4.242 1.00 3.34 H new ATOM 0 HE1 PHE A 6 12.251 3.027 -0.867 1.00 33.44 H new ATOM 0 HE2 PHE A 6 15.094 1.932 -3.848 1.00 23.43 H new ATOM 0 HZ PHE A 6 14.284 3.532 -2.162 1.00 12.45 H new ATOM 83 N ASP A 7 13.176 -1.134 -0.179 1.00 22.01 N ATOM 84 CA ASP A 7 14.449 -1.101 0.532 1.00 62.51 C ATOM 85 C ASP A 7 14.783 -2.472 1.112 1.00 33.32 C ATOM 86 O ASP A 7 15.844 -3.031 0.839 1.00 63.33 O ATOM 87 CB ASP A 7 14.408 -0.057 1.649 1.00 75.42 C ATOM 88 CG ASP A 7 15.012 1.267 1.226 1.00 52.20 C ATOM 89 OD1 ASP A 7 16.041 1.251 0.519 1.00 74.44 O ATOM 90 OD2 ASP A 7 14.456 2.320 1.603 1.00 4.51 O ATOM 0 H ASP A 7 12.510 -0.420 0.115 1.00 22.01 H new ATOM 0 HA ASP A 7 15.227 -0.828 -0.180 1.00 62.51 H new ATOM 0 HB2 ASP A 7 13.374 0.100 1.957 1.00 75.42 H new ATOM 0 HB3 ASP A 7 14.945 -0.437 2.518 1.00 75.42 H new ATOM 95 N ALA A 8 13.869 -3.007 1.916 1.00 62.34 N ATOM 96 CA ALA A 8 14.066 -4.313 2.534 1.00 51.42 C ATOM 97 C ALA A 8 14.159 -5.411 1.480 1.00 43.32 C ATOM 98 O ALA A 8 14.643 -6.508 1.755 1.00 70.33 O ATOM 99 CB ALA A 8 12.937 -4.610 3.510 1.00 43.21 C ATOM 0 H ALA A 8 12.986 -2.556 2.154 1.00 62.34 H new ATOM 0 HA ALA A 8 15.009 -4.290 3.081 1.00 51.42 H new ATOM 0 HB1 ALA A 8 13.097 -5.588 3.964 1.00 43.21 H new ATOM 0 HB2 ALA A 8 12.919 -3.847 4.288 1.00 43.21 H new ATOM 0 HB3 ALA A 8 11.986 -4.608 2.978 1.00 43.21 H new ATOM 105 N ALA A 9 13.692 -5.107 0.273 1.00 24.50 N ATOM 106 CA ALA A 9 13.725 -6.069 -0.822 1.00 53.32 C ATOM 107 C ALA A 9 15.109 -6.129 -1.459 1.00 51.34 C ATOM 108 O ALA A 9 15.669 -7.208 -1.651 1.00 21.15 O ATOM 109 CB ALA A 9 12.676 -5.715 -1.866 1.00 50.32 C ATOM 0 H ALA A 9 13.287 -4.203 0.029 1.00 24.50 H new ATOM 0 HA ALA A 9 13.499 -7.054 -0.415 1.00 53.32 H new ATOM 0 HB1 ALA A 9 12.711 -6.441 -2.678 1.00 50.32 H new ATOM 0 HB2 ALA A 9 11.687 -5.731 -1.408 1.00 50.32 H new ATOM 0 HB3 ALA A 9 12.877 -4.719 -2.261 1.00 50.32 H new ATOM 115 N VAL A 10 15.656 -4.962 -1.787 1.00 74.11 N ATOM 116 CA VAL A 10 16.975 -4.882 -2.403 1.00 32.23 C ATOM 117 C VAL A 10 18.071 -5.220 -1.399 1.00 21.33 C ATOM 118 O VAL A 10 19.130 -5.731 -1.766 1.00 54.43 O ATOM 119 CB VAL A 10 17.240 -3.480 -2.982 1.00 54.05 C ATOM 120 CG1 VAL A 10 18.435 -3.508 -3.922 1.00 44.40 C ATOM 121 CG2 VAL A 10 16.002 -2.957 -3.696 1.00 43.32 C ATOM 0 H VAL A 10 15.206 -4.059 -1.636 1.00 74.11 H new ATOM 0 HA VAL A 10 16.991 -5.611 -3.214 1.00 32.23 H new ATOM 0 HB VAL A 10 17.471 -2.803 -2.159 1.00 54.05 H new ATOM 0 HG11 VAL A 10 18.607 -2.509 -4.322 1.00 44.40 H new ATOM 0 HG12 VAL A 10 19.319 -3.838 -3.377 1.00 44.40 H new ATOM 0 HG13 VAL A 10 18.236 -4.197 -4.743 1.00 44.40 H new ATOM 0 HG21 VAL A 10 16.206 -1.965 -4.099 1.00 43.32 H new ATOM 0 HG22 VAL A 10 15.739 -3.633 -4.510 1.00 43.32 H new ATOM 0 HG23 VAL A 10 15.173 -2.898 -2.991 1.00 43.32 H new ATOM 131 N LYS A 11 17.811 -4.933 -0.128 1.00 11.02 N ATOM 132 CA LYS A 11 18.774 -5.208 0.932 1.00 50.31 C ATOM 133 C LYS A 11 19.022 -6.707 1.067 1.00 53.31 C ATOM 134 O LYS A 11 20.166 -7.150 1.170 1.00 52.20 O ATOM 135 CB LYS A 11 18.275 -4.641 2.263 1.00 55.32 C ATOM 136 CG LYS A 11 18.864 -3.284 2.605 1.00 2.43 C ATOM 137 CD LYS A 11 20.361 -3.372 2.849 1.00 4.42 C ATOM 138 CE LYS A 11 20.868 -2.176 3.641 1.00 24.11 C ATOM 139 NZ LYS A 11 20.865 -0.929 2.827 1.00 73.44 N ATOM 0 H LYS A 11 16.940 -4.510 0.193 1.00 11.02 H new ATOM 0 HA LYS A 11 19.714 -4.724 0.668 1.00 50.31 H new ATOM 0 HB2 LYS A 11 17.189 -4.558 2.228 1.00 55.32 H new ATOM 0 HB3 LYS A 11 18.516 -5.344 3.061 1.00 55.32 H new ATOM 0 HG2 LYS A 11 18.667 -2.585 1.792 1.00 2.43 H new ATOM 0 HG3 LYS A 11 18.372 -2.886 3.493 1.00 2.43 H new ATOM 0 HD2 LYS A 11 20.589 -4.291 3.389 1.00 4.42 H new ATOM 0 HD3 LYS A 11 20.884 -3.426 1.894 1.00 4.42 H new ATOM 0 HE2 LYS A 11 20.245 -2.035 4.524 1.00 24.11 H new ATOM 0 HE3 LYS A 11 21.880 -2.377 3.994 1.00 24.11 H new ATOM 0 HZ1 LYS A 11 21.217 -0.138 3.403 1.00 73.44 H new ATOM 0 HZ2 LYS A 11 21.480 -1.054 1.998 1.00 73.44 H new ATOM 0 HZ3 LYS A 11 19.896 -0.723 2.511 1.00 73.44 H new ATOM 153 N TYR A 12 17.943 -7.482 1.064 1.00 24.41 N ATOM 154 CA TYR A 12 18.044 -8.932 1.187 1.00 1.31 C ATOM 155 C TYR A 12 18.686 -9.541 -0.056 1.00 5.45 C ATOM 156 O TYR A 12 19.559 -10.403 0.042 1.00 62.53 O ATOM 157 CB TYR A 12 16.660 -9.543 1.411 1.00 71.02 C ATOM 158 CG TYR A 12 16.701 -10.976 1.892 1.00 3.22 C ATOM 159 CD1 TYR A 12 16.811 -12.029 0.992 1.00 54.40 C ATOM 160 CD2 TYR A 12 16.630 -11.277 3.247 1.00 41.24 C ATOM 161 CE1 TYR A 12 16.848 -13.339 1.427 1.00 62.30 C ATOM 162 CE2 TYR A 12 16.668 -12.584 3.691 1.00 64.33 C ATOM 163 CZ TYR A 12 16.777 -13.612 2.777 1.00 22.02 C ATOM 164 OH TYR A 12 16.814 -14.916 3.215 1.00 3.15 O ATOM 0 H TYR A 12 16.989 -7.131 0.978 1.00 24.41 H new ATOM 0 HA TYR A 12 18.676 -9.155 2.046 1.00 1.31 H new ATOM 0 HB2 TYR A 12 16.119 -8.939 2.140 1.00 71.02 H new ATOM 0 HB3 TYR A 12 16.097 -9.497 0.479 1.00 71.02 H new ATOM 0 HD1 TYR A 12 16.869 -11.819 -0.066 1.00 54.40 H new ATOM 0 HD2 TYR A 12 16.544 -10.475 3.965 1.00 41.24 H new ATOM 0 HE1 TYR A 12 16.932 -14.146 0.714 1.00 62.30 H new ATOM 0 HE2 TYR A 12 16.613 -12.800 4.748 1.00 64.33 H new ATOM 0 HH TYR A 12 16.755 -14.934 4.193 1.00 3.15 H new ATOM 174 N VAL A 13 18.248 -9.084 -1.224 1.00 61.04 N ATOM 175 CA VAL A 13 18.780 -9.581 -2.488 1.00 22.14 C ATOM 176 C VAL A 13 20.245 -9.194 -2.657 1.00 61.21 C ATOM 177 O VAL A 13 21.038 -9.954 -3.212 1.00 24.51 O ATOM 178 CB VAL A 13 17.976 -9.043 -3.686 1.00 44.50 C ATOM 179 CG1 VAL A 13 18.679 -9.376 -4.993 1.00 50.44 C ATOM 180 CG2 VAL A 13 16.562 -9.603 -3.673 1.00 42.34 C ATOM 0 H VAL A 13 17.526 -8.370 -1.322 1.00 61.04 H new ATOM 0 HA VAL A 13 18.695 -10.667 -2.462 1.00 22.14 H new ATOM 0 HB VAL A 13 17.913 -7.958 -3.602 1.00 44.50 H new ATOM 0 HG11 VAL A 13 18.096 -8.988 -5.829 1.00 50.44 H new ATOM 0 HG12 VAL A 13 19.670 -8.921 -4.999 1.00 50.44 H new ATOM 0 HG13 VAL A 13 18.775 -10.457 -5.089 1.00 50.44 H new ATOM 0 HG21 VAL A 13 16.008 -9.212 -4.527 1.00 42.34 H new ATOM 0 HG22 VAL A 13 16.601 -10.691 -3.733 1.00 42.34 H new ATOM 0 HG23 VAL A 13 16.062 -9.308 -2.750 1.00 42.34 H new ATOM 190 N SER A 14 20.597 -8.007 -2.175 1.00 4.22 N ATOM 191 CA SER A 14 21.967 -7.517 -2.276 1.00 1.44 C ATOM 192 C SER A 14 22.872 -8.221 -1.269 1.00 14.11 C ATOM 193 O SER A 14 24.093 -8.225 -1.412 1.00 44.15 O ATOM 194 CB SER A 14 22.008 -6.005 -2.045 1.00 4.30 C ATOM 195 OG SER A 14 21.513 -5.303 -3.172 1.00 74.20 O ATOM 0 H SER A 14 19.953 -7.367 -1.711 1.00 4.22 H new ATOM 0 HA SER A 14 22.331 -7.735 -3.280 1.00 1.44 H new ATOM 0 HB2 SER A 14 21.415 -5.752 -1.166 1.00 4.30 H new ATOM 0 HB3 SER A 14 23.032 -5.693 -1.839 1.00 4.30 H new ATOM 0 HG SER A 14 21.548 -4.339 -2.998 1.00 74.20 H new ATOM 201 N ASN A 15 22.261 -8.816 -0.249 1.00 70.14 N ATOM 202 CA ASN A 15 23.010 -9.524 0.783 1.00 42.43 C ATOM 203 C ASN A 15 22.716 -11.020 0.739 1.00 14.03 C ATOM 204 O ASN A 15 23.083 -11.764 1.650 1.00 51.42 O ATOM 205 CB ASN A 15 22.667 -8.965 2.165 1.00 51.30 C ATOM 206 CG ASN A 15 23.240 -7.578 2.387 1.00 65.52 C ATOM 207 OD1 ASN A 15 24.448 -7.369 2.275 1.00 65.22 O ATOM 208 ND2 ASN A 15 22.374 -6.624 2.704 1.00 52.54 N ATOM 0 H ASN A 15 21.250 -8.822 -0.115 1.00 70.14 H new ATOM 0 HA ASN A 15 24.073 -9.376 0.592 1.00 42.43 H new ATOM 0 HB2 ASN A 15 21.584 -8.930 2.281 1.00 51.30 H new ATOM 0 HB3 ASN A 15 23.048 -9.640 2.932 1.00 51.30 H new ATOM 0 HD21 ASN A 15 22.701 -5.672 2.866 1.00 52.54 H new ATOM 0 HD22 ASN A 15 21.381 -6.843 2.786 1.00 52.54 H new ATOM 215 N THR A 16 22.050 -11.456 -0.326 1.00 23.12 N ATOM 216 CA THR A 16 21.706 -12.863 -0.489 1.00 14.25 C ATOM 217 C THR A 16 22.180 -13.393 -1.837 1.00 1.22 C ATOM 218 O THR A 16 23.212 -14.059 -1.926 1.00 32.30 O ATOM 219 CB THR A 16 20.186 -13.087 -0.368 1.00 4.45 C ATOM 220 OG1 THR A 16 19.756 -12.811 0.970 1.00 55.41 O ATOM 221 CG2 THR A 16 19.819 -14.515 -0.740 1.00 35.03 C ATOM 0 H THR A 16 21.738 -10.855 -1.089 1.00 23.12 H new ATOM 0 HA THR A 16 22.211 -13.406 0.310 1.00 14.25 H new ATOM 0 HB THR A 16 19.684 -12.409 -1.058 1.00 4.45 H new ATOM 0 HG1 THR A 16 18.801 -12.590 0.968 1.00 55.41 H new ATOM 0 HG21 THR A 16 18.741 -14.650 -0.647 1.00 35.03 H new ATOM 0 HG22 THR A 16 20.122 -14.712 -1.768 1.00 35.03 H new ATOM 0 HG23 THR A 16 20.330 -15.208 -0.072 1.00 35.03 H new ATOM 229 N THR A 17 21.421 -13.092 -2.886 1.00 60.21 N ATOM 230 CA THR A 17 21.764 -13.539 -4.230 1.00 52.23 C ATOM 231 C THR A 17 22.181 -15.005 -4.233 1.00 33.10 C ATOM 232 O THR A 17 23.042 -15.416 -5.012 1.00 13.31 O ATOM 233 CB THR A 17 22.902 -12.692 -4.830 1.00 61.14 C ATOM 234 OG1 THR A 17 23.906 -12.448 -3.839 1.00 1.00 O ATOM 235 CG2 THR A 17 22.371 -11.368 -5.359 1.00 21.14 C ATOM 0 H THR A 17 20.565 -12.541 -2.830 1.00 60.21 H new ATOM 0 HA THR A 17 20.869 -13.418 -4.841 1.00 52.23 H new ATOM 0 HB THR A 17 23.339 -13.247 -5.660 1.00 61.14 H new ATOM 0 HG1 THR A 17 23.997 -13.236 -3.264 1.00 1.00 H new ATOM 0 HG21 THR A 17 23.193 -10.787 -5.778 1.00 21.14 H new ATOM 0 HG22 THR A 17 21.629 -11.557 -6.134 1.00 21.14 H new ATOM 0 HG23 THR A 17 21.910 -10.809 -4.544 1.00 21.14 H new ATOM 243 N THR A 18 21.564 -15.793 -3.357 1.00 3.51 N ATOM 244 CA THR A 18 21.872 -17.214 -3.258 1.00 12.40 C ATOM 245 C THR A 18 20.607 -18.058 -3.361 1.00 20.32 C ATOM 246 O THR A 18 20.666 -19.245 -3.682 1.00 5.14 O ATOM 247 CB THR A 18 22.589 -17.543 -1.935 1.00 11.50 C ATOM 248 OG1 THR A 18 23.708 -16.668 -1.754 1.00 10.33 O ATOM 249 CG2 THR A 18 23.062 -18.988 -1.921 1.00 34.44 C ATOM 0 H THR A 18 20.848 -15.470 -2.706 1.00 3.51 H new ATOM 0 HA THR A 18 22.534 -17.453 -4.090 1.00 12.40 H new ATOM 0 HB THR A 18 21.881 -17.401 -1.118 1.00 11.50 H new ATOM 0 HG1 THR A 18 23.388 -15.755 -1.600 1.00 10.33 H new ATOM 0 HG21 THR A 18 23.565 -19.197 -0.977 1.00 34.44 H new ATOM 0 HG22 THR A 18 22.205 -19.652 -2.030 1.00 34.44 H new ATOM 0 HG23 THR A 18 23.755 -19.152 -2.746 1.00 34.44 H new ATOM 257 N MET A 19 19.463 -17.439 -3.087 1.00 45.14 N ATOM 258 CA MET A 19 18.184 -18.135 -3.151 1.00 55.24 C ATOM 259 C MET A 19 18.028 -18.866 -4.481 1.00 63.01 C ATOM 260 O MET A 19 18.707 -18.549 -5.457 1.00 41.43 O ATOM 261 CB MET A 19 17.031 -17.146 -2.962 1.00 63.31 C ATOM 262 CG MET A 19 16.937 -16.104 -4.065 1.00 24.05 C ATOM 263 SD MET A 19 17.173 -14.424 -3.454 1.00 12.12 S ATOM 264 CE MET A 19 17.305 -13.519 -4.994 1.00 72.20 C ATOM 0 H MET A 19 19.396 -16.457 -2.819 1.00 45.14 H new ATOM 0 HA MET A 19 18.159 -18.871 -2.347 1.00 55.24 H new ATOM 0 HB2 MET A 19 16.093 -17.699 -2.915 1.00 63.31 H new ATOM 0 HB3 MET A 19 17.151 -16.640 -2.004 1.00 63.31 H new ATOM 0 HG2 MET A 19 17.687 -16.318 -4.827 1.00 24.05 H new ATOM 0 HG3 MET A 19 15.962 -16.178 -4.547 1.00 24.05 H new ATOM 0 HE1 MET A 19 18.281 -13.037 -5.050 1.00 72.20 H new ATOM 0 HE2 MET A 19 17.192 -14.207 -5.831 1.00 72.20 H new ATOM 0 HE3 MET A 19 16.523 -12.761 -5.039 1.00 72.20 H new ATOM 274 N MET A 20 17.131 -19.846 -4.511 1.00 61.02 N ATOM 275 CA MET A 20 16.887 -20.621 -5.722 1.00 60.30 C ATOM 276 C MET A 20 16.042 -19.829 -6.714 1.00 12.51 C ATOM 277 O MET A 20 14.818 -19.771 -6.594 1.00 64.00 O ATOM 278 CB MET A 20 16.189 -21.939 -5.378 1.00 2.51 C ATOM 279 CG MET A 20 14.949 -21.762 -4.516 1.00 64.41 C ATOM 280 SD MET A 20 13.507 -22.605 -5.194 1.00 31.50 S ATOM 281 CE MET A 20 12.275 -21.310 -5.084 1.00 71.00 C ATOM 0 H MET A 20 16.561 -20.122 -3.711 1.00 61.02 H new ATOM 0 HA MET A 20 17.850 -20.838 -6.184 1.00 60.30 H new ATOM 0 HB2 MET A 20 15.910 -22.445 -6.302 1.00 2.51 H new ATOM 0 HB3 MET A 20 16.893 -22.589 -4.859 1.00 2.51 H new ATOM 0 HG2 MET A 20 15.150 -22.142 -3.514 1.00 64.41 H new ATOM 0 HG3 MET A 20 14.730 -20.699 -4.415 1.00 64.41 H new ATOM 0 HE1 MET A 20 11.290 -21.726 -5.298 1.00 71.00 H new ATOM 0 HE2 MET A 20 12.280 -20.887 -4.079 1.00 71.00 H new ATOM 0 HE3 MET A 20 12.504 -20.528 -5.808 1.00 71.00 H new ATOM 291 N ALA A 21 16.702 -19.219 -7.693 1.00 3.33 N ATOM 292 CA ALA A 21 16.011 -18.431 -8.706 1.00 20.03 C ATOM 293 C ALA A 21 16.553 -18.731 -10.099 1.00 62.30 C ATOM 294 O ALA A 21 17.686 -19.190 -10.249 1.00 54.23 O ATOM 295 CB ALA A 21 16.137 -16.947 -8.397 1.00 0.51 C ATOM 0 H ALA A 21 17.715 -19.256 -7.806 1.00 3.33 H new ATOM 0 HA ALA A 21 14.957 -18.706 -8.688 1.00 20.03 H new ATOM 0 HB1 ALA A 21 15.616 -16.371 -9.162 1.00 0.51 H new ATOM 0 HB2 ALA A 21 15.695 -16.739 -7.422 1.00 0.51 H new ATOM 0 HB3 ALA A 21 17.190 -16.666 -8.385 1.00 0.51 H new ATOM 301 N SER A 22 15.737 -18.470 -11.115 1.00 62.54 N ATOM 302 CA SER A 22 16.134 -18.717 -12.497 1.00 32.32 C ATOM 303 C SER A 22 16.975 -17.564 -13.035 1.00 3.02 C ATOM 304 O SER A 22 16.914 -16.446 -12.525 1.00 23.34 O ATOM 305 CB SER A 22 14.898 -18.916 -13.377 1.00 1.33 C ATOM 306 OG SER A 22 15.251 -19.460 -14.636 1.00 61.34 O ATOM 0 H SER A 22 14.797 -18.088 -11.008 1.00 62.54 H new ATOM 0 HA SER A 22 16.737 -19.625 -12.519 1.00 32.32 H new ATOM 0 HB2 SER A 22 14.194 -19.579 -12.875 1.00 1.33 H new ATOM 0 HB3 SER A 22 14.391 -17.961 -13.519 1.00 1.33 H new ATOM 0 HG SER A 22 14.444 -19.579 -15.179 1.00 61.34 H new ATOM 312 N ASN A 23 17.761 -17.845 -14.069 1.00 72.33 N ATOM 313 CA ASN A 23 18.616 -16.832 -14.677 1.00 71.34 C ATOM 314 C ASN A 23 17.806 -15.600 -15.069 1.00 32.14 C ATOM 315 O ASN A 23 18.319 -14.481 -15.066 1.00 53.11 O ATOM 316 CB ASN A 23 19.323 -17.404 -15.908 1.00 53.32 C ATOM 317 CG ASN A 23 20.277 -16.409 -16.541 1.00 13.01 C ATOM 318 OD1 ASN A 23 19.955 -15.777 -17.547 1.00 71.34 O ATOM 319 ND2 ASN A 23 21.458 -16.266 -15.952 1.00 1.43 N ATOM 0 H ASN A 23 17.824 -18.766 -14.503 1.00 72.33 H new ATOM 0 HA ASN A 23 19.364 -16.534 -13.942 1.00 71.34 H new ATOM 0 HB2 ASN A 23 19.874 -18.301 -15.624 1.00 53.32 H new ATOM 0 HB3 ASN A 23 18.578 -17.707 -16.643 1.00 53.32 H new ATOM 0 HD21 ASN A 23 22.141 -15.611 -16.332 1.00 1.43 H new ATOM 0 HD22 ASN A 23 21.682 -16.811 -15.119 1.00 1.43 H new ATOM 326 N ASP A 24 16.538 -15.814 -15.403 1.00 63.25 N ATOM 327 CA ASP A 24 15.656 -14.721 -15.795 1.00 70.24 C ATOM 328 C ASP A 24 15.181 -13.941 -14.573 1.00 63.04 C ATOM 329 O ASP A 24 15.262 -12.713 -14.539 1.00 31.01 O ATOM 330 CB ASP A 24 14.453 -15.261 -16.570 1.00 32.41 C ATOM 331 CG ASP A 24 13.929 -14.270 -17.591 1.00 32.35 C ATOM 332 OD1 ASP A 24 14.746 -13.518 -18.161 1.00 24.34 O ATOM 333 OD2 ASP A 24 12.701 -14.246 -17.818 1.00 70.05 O ATOM 0 H ASP A 24 16.098 -16.734 -15.410 1.00 63.25 H new ATOM 0 HA ASP A 24 16.219 -14.045 -16.439 1.00 70.24 H new ATOM 0 HB2 ASP A 24 14.735 -16.184 -17.076 1.00 32.41 H new ATOM 0 HB3 ASP A 24 13.656 -15.512 -15.870 1.00 32.41 H new ATOM 338 N ASP A 25 14.686 -14.662 -13.574 1.00 10.14 N ATOM 339 CA ASP A 25 14.198 -14.038 -12.349 1.00 41.53 C ATOM 340 C ASP A 25 15.308 -13.247 -11.663 1.00 33.21 C ATOM 341 O ASP A 25 15.089 -12.132 -11.188 1.00 72.44 O ATOM 342 CB ASP A 25 13.645 -15.098 -11.396 1.00 25.11 C ATOM 343 CG ASP A 25 12.817 -16.146 -12.113 1.00 23.11 C ATOM 344 OD1 ASP A 25 12.179 -15.803 -13.130 1.00 33.43 O ATOM 345 OD2 ASP A 25 12.807 -17.309 -11.657 1.00 0.12 O ATOM 0 H ASP A 25 14.612 -15.679 -13.588 1.00 10.14 H new ATOM 0 HA ASP A 25 13.397 -13.349 -12.616 1.00 41.53 H new ATOM 0 HB2 ASP A 25 14.472 -15.584 -10.879 1.00 25.11 H new ATOM 0 HB3 ASP A 25 13.033 -14.614 -10.635 1.00 25.11 H new ATOM 350 N LYS A 26 16.500 -13.832 -11.613 1.00 34.34 N ATOM 351 CA LYS A 26 17.645 -13.184 -10.985 1.00 32.15 C ATOM 352 C LYS A 26 18.062 -11.942 -11.765 1.00 2.31 C ATOM 353 O LYS A 26 18.833 -11.117 -11.272 1.00 52.53 O ATOM 354 CB LYS A 26 18.821 -14.159 -10.890 1.00 75.14 C ATOM 355 CG LYS A 26 18.536 -15.373 -10.023 1.00 70.10 C ATOM 356 CD LYS A 26 19.758 -15.782 -9.218 1.00 62.44 C ATOM 357 CE LYS A 26 19.790 -17.284 -8.978 1.00 41.10 C ATOM 358 NZ LYS A 26 21.150 -17.756 -8.597 1.00 1.12 N ATOM 0 H LYS A 26 16.698 -14.755 -12.000 1.00 34.34 H new ATOM 0 HA LYS A 26 17.352 -12.879 -9.980 1.00 32.15 H new ATOM 0 HB2 LYS A 26 19.087 -14.493 -11.893 1.00 75.14 H new ATOM 0 HB3 LYS A 26 19.687 -13.632 -10.490 1.00 75.14 H new ATOM 0 HG2 LYS A 26 17.710 -15.152 -9.346 1.00 70.10 H new ATOM 0 HG3 LYS A 26 18.219 -16.204 -10.652 1.00 70.10 H new ATOM 0 HD2 LYS A 26 20.662 -15.477 -9.746 1.00 62.44 H new ATOM 0 HD3 LYS A 26 19.756 -15.260 -8.261 1.00 62.44 H new ATOM 0 HE2 LYS A 26 19.082 -17.541 -8.190 1.00 41.10 H new ATOM 0 HE3 LYS A 26 19.465 -17.803 -9.880 1.00 41.10 H new ATOM 0 HZ1 LYS A 26 21.130 -18.784 -8.442 1.00 1.12 H new ATOM 0 HZ2 LYS A 26 21.821 -17.534 -9.360 1.00 1.12 H new ATOM 0 HZ3 LYS A 26 21.450 -17.280 -7.722 1.00 1.12 H new ATOM 372 N LEU A 27 17.548 -11.813 -12.983 1.00 63.51 N ATOM 373 CA LEU A 27 17.867 -10.670 -13.831 1.00 74.13 C ATOM 374 C LEU A 27 16.797 -9.589 -13.712 1.00 60.22 C ATOM 375 O LEU A 27 16.965 -8.477 -14.215 1.00 24.34 O ATOM 376 CB LEU A 27 18.000 -11.113 -15.289 1.00 72.24 C ATOM 377 CG LEU A 27 18.372 -10.020 -16.292 1.00 32.12 C ATOM 378 CD1 LEU A 27 19.421 -10.527 -17.269 1.00 51.42 C ATOM 379 CD2 LEU A 27 17.136 -9.536 -17.036 1.00 71.33 C ATOM 0 H LEU A 27 16.908 -12.486 -13.406 1.00 63.51 H new ATOM 0 HA LEU A 27 18.817 -10.254 -13.496 1.00 74.13 H new ATOM 0 HB2 LEU A 27 18.754 -11.898 -15.342 1.00 72.24 H new ATOM 0 HB3 LEU A 27 17.055 -11.557 -15.600 1.00 72.24 H new ATOM 0 HG LEU A 27 18.794 -9.178 -15.743 1.00 32.12 H new ATOM 0 HD11 LEU A 27 19.673 -9.736 -17.975 1.00 51.42 H new ATOM 0 HD12 LEU A 27 20.316 -10.823 -16.721 1.00 51.42 H new ATOM 0 HD13 LEU A 27 19.027 -11.386 -17.812 1.00 51.42 H new ATOM 0 HD21 LEU A 27 17.420 -8.759 -17.745 1.00 71.33 H new ATOM 0 HD22 LEU A 27 16.685 -10.370 -17.573 1.00 71.33 H new ATOM 0 HD23 LEU A 27 16.417 -9.132 -16.323 1.00 71.33 H new ATOM 391 N CYS A 28 15.699 -9.922 -13.043 1.00 71.21 N ATOM 392 CA CYS A 28 14.602 -8.979 -12.856 1.00 71.23 C ATOM 393 C CYS A 28 14.958 -7.932 -11.807 1.00 1.35 C ATOM 394 O CYS A 28 14.741 -6.737 -12.008 1.00 15.31 O ATOM 395 CB CYS A 28 13.329 -9.720 -12.444 1.00 24.45 C ATOM 396 SG CYS A 28 12.694 -10.853 -13.702 1.00 13.24 S ATOM 0 H CYS A 28 15.545 -10.838 -12.621 1.00 71.21 H new ATOM 0 HA CYS A 28 14.427 -8.471 -13.804 1.00 71.23 H new ATOM 0 HB2 CYS A 28 13.528 -10.282 -11.531 1.00 24.45 H new ATOM 0 HB3 CYS A 28 12.557 -8.989 -12.206 1.00 24.45 H new ATOM 0 HG CYS A 28 13.650 -11.638 -14.102 1.00 13.24 H new ATOM 402 N PHE A 29 15.505 -8.388 -10.685 1.00 23.02 N ATOM 403 CA PHE A 29 15.889 -7.491 -9.601 1.00 44.34 C ATOM 404 C PHE A 29 17.030 -6.574 -10.033 1.00 43.00 C ATOM 405 O PHE A 29 17.331 -5.583 -9.367 1.00 24.54 O ATOM 406 CB PHE A 29 16.305 -8.295 -8.368 1.00 1.22 C ATOM 407 CG PHE A 29 17.782 -8.557 -8.293 1.00 60.31 C ATOM 408 CD1 PHE A 29 18.631 -7.648 -7.683 1.00 33.14 C ATOM 409 CD2 PHE A 29 18.322 -9.713 -8.834 1.00 32.20 C ATOM 410 CE1 PHE A 29 19.990 -7.887 -7.612 1.00 3.32 C ATOM 411 CE2 PHE A 29 19.680 -9.957 -8.766 1.00 24.42 C ATOM 412 CZ PHE A 29 20.516 -9.043 -8.155 1.00 51.51 C ATOM 0 H PHE A 29 15.692 -9.374 -10.503 1.00 23.02 H new ATOM 0 HA PHE A 29 15.026 -6.875 -9.350 1.00 44.34 H new ATOM 0 HB2 PHE A 29 15.993 -7.758 -7.472 1.00 1.22 H new ATOM 0 HB3 PHE A 29 15.775 -9.247 -8.369 1.00 1.22 H new ATOM 0 HD1 PHE A 29 18.226 -6.742 -7.258 1.00 33.14 H new ATOM 0 HD2 PHE A 29 17.674 -10.431 -9.314 1.00 32.20 H new ATOM 0 HE1 PHE A 29 20.640 -7.171 -7.132 1.00 3.32 H new ATOM 0 HE2 PHE A 29 20.088 -10.862 -9.191 1.00 24.42 H new ATOM 0 HZ PHE A 29 21.578 -9.232 -8.102 1.00 51.51 H new ATOM 422 N TYR A 30 17.662 -6.912 -11.152 1.00 15.02 N ATOM 423 CA TYR A 30 18.771 -6.122 -11.672 1.00 23.02 C ATOM 424 C TYR A 30 18.263 -4.958 -12.517 1.00 33.12 C ATOM 425 O TYR A 30 18.852 -3.877 -12.526 1.00 22.20 O ATOM 426 CB TYR A 30 19.705 -7.002 -12.505 1.00 12.11 C ATOM 427 CG TYR A 30 20.190 -6.338 -13.774 1.00 22.23 C ATOM 428 CD1 TYR A 30 19.452 -6.416 -14.948 1.00 50.31 C ATOM 429 CD2 TYR A 30 21.387 -5.633 -13.798 1.00 0.53 C ATOM 430 CE1 TYR A 30 19.892 -5.811 -16.110 1.00 22.53 C ATOM 431 CE2 TYR A 30 21.834 -5.024 -14.954 1.00 43.24 C ATOM 432 CZ TYR A 30 21.084 -5.117 -16.108 1.00 13.42 C ATOM 433 OH TYR A 30 21.525 -4.512 -17.263 1.00 31.04 O ATOM 0 H TYR A 30 17.425 -7.728 -11.716 1.00 15.02 H new ATOM 0 HA TYR A 30 19.324 -5.717 -10.824 1.00 23.02 H new ATOM 0 HB2 TYR A 30 20.567 -7.279 -11.898 1.00 12.11 H new ATOM 0 HB3 TYR A 30 19.186 -7.925 -12.763 1.00 12.11 H new ATOM 0 HD1 TYR A 30 18.518 -6.959 -14.953 1.00 50.31 H new ATOM 0 HD2 TYR A 30 21.978 -5.560 -12.897 1.00 0.53 H new ATOM 0 HE1 TYR A 30 19.306 -5.881 -17.014 1.00 22.53 H new ATOM 0 HE2 TYR A 30 22.766 -4.478 -14.955 1.00 43.24 H new ATOM 0 HH TYR A 30 20.890 -4.689 -17.988 1.00 31.04 H new ATOM 443 N LYS A 31 17.163 -5.187 -13.226 1.00 53.11 N ATOM 444 CA LYS A 31 16.571 -4.159 -14.074 1.00 13.11 C ATOM 445 C LYS A 31 15.673 -3.233 -13.260 1.00 3.53 C ATOM 446 O LYS A 31 15.449 -2.082 -13.635 1.00 40.44 O ATOM 447 CB LYS A 31 15.765 -4.803 -15.205 1.00 1.15 C ATOM 448 CG LYS A 31 14.726 -5.800 -14.720 1.00 4.40 C ATOM 449 CD LYS A 31 13.885 -6.331 -15.868 1.00 42.14 C ATOM 450 CE LYS A 31 12.489 -6.716 -15.405 1.00 33.03 C ATOM 451 NZ LYS A 31 11.654 -7.230 -16.526 1.00 0.22 N ATOM 0 H LYS A 31 16.663 -6.076 -13.230 1.00 53.11 H new ATOM 0 HA LYS A 31 17.380 -3.568 -14.503 1.00 13.11 H new ATOM 0 HB2 LYS A 31 15.266 -4.020 -15.776 1.00 1.15 H new ATOM 0 HB3 LYS A 31 16.450 -5.307 -15.887 1.00 1.15 H new ATOM 0 HG2 LYS A 31 15.223 -6.630 -14.218 1.00 4.40 H new ATOM 0 HG3 LYS A 31 14.079 -5.323 -13.984 1.00 4.40 H new ATOM 0 HD2 LYS A 31 13.814 -5.574 -16.649 1.00 42.14 H new ATOM 0 HD3 LYS A 31 14.376 -7.199 -16.309 1.00 42.14 H new ATOM 0 HE2 LYS A 31 12.561 -7.477 -14.628 1.00 33.03 H new ATOM 0 HE3 LYS A 31 12.003 -5.849 -14.958 1.00 33.03 H new ATOM 0 HZ1 LYS A 31 10.685 -6.865 -16.432 1.00 0.22 H new ATOM 0 HZ2 LYS A 31 12.057 -6.915 -17.432 1.00 0.22 H new ATOM 0 HZ3 LYS A 31 11.637 -8.269 -16.498 1.00 0.22 H new ATOM 465 N TYR A 32 15.164 -3.741 -12.143 1.00 52.13 N ATOM 466 CA TYR A 32 14.290 -2.959 -11.277 1.00 21.05 C ATOM 467 C TYR A 32 15.074 -1.868 -10.554 1.00 2.11 C ATOM 468 O TYR A 32 14.603 -0.739 -10.413 1.00 24.02 O ATOM 469 CB TYR A 32 13.602 -3.868 -10.257 1.00 72.21 C ATOM 470 CG TYR A 32 12.571 -4.791 -10.867 1.00 53.52 C ATOM 471 CD1 TYR A 32 11.737 -4.353 -11.889 1.00 60.02 C ATOM 472 CD2 TYR A 32 12.429 -6.099 -10.421 1.00 43.24 C ATOM 473 CE1 TYR A 32 10.793 -5.192 -12.449 1.00 51.23 C ATOM 474 CE2 TYR A 32 11.489 -6.945 -10.977 1.00 2.13 C ATOM 475 CZ TYR A 32 10.673 -6.487 -11.990 1.00 43.11 C ATOM 476 OH TYR A 32 9.734 -7.326 -12.545 1.00 25.32 O ATOM 0 H TYR A 32 15.342 -4.691 -11.816 1.00 52.13 H new ATOM 0 HA TYR A 32 13.533 -2.485 -11.901 1.00 21.05 H new ATOM 0 HB2 TYR A 32 14.358 -4.467 -9.748 1.00 72.21 H new ATOM 0 HB3 TYR A 32 13.121 -3.250 -9.499 1.00 72.21 H new ATOM 0 HD1 TYR A 32 11.828 -3.340 -12.251 1.00 60.02 H new ATOM 0 HD2 TYR A 32 13.064 -6.461 -9.626 1.00 43.24 H new ATOM 0 HE1 TYR A 32 10.152 -4.836 -13.242 1.00 51.23 H new ATOM 0 HE2 TYR A 32 11.394 -7.960 -10.620 1.00 2.13 H new ATOM 0 HH TYR A 32 9.780 -8.203 -12.109 1.00 25.32 H new ATOM 486 N TYR A 33 16.273 -2.213 -10.099 1.00 23.43 N ATOM 487 CA TYR A 33 17.124 -1.265 -9.389 1.00 33.32 C ATOM 488 C TYR A 33 17.568 -0.135 -10.312 1.00 64.10 C ATOM 489 O TYR A 33 17.902 0.960 -9.858 1.00 33.43 O ATOM 490 CB TYR A 33 18.347 -1.979 -8.812 1.00 5.34 C ATOM 491 CG TYR A 33 19.174 -1.112 -7.889 1.00 45.01 C ATOM 492 CD1 TYR A 33 20.107 -0.216 -8.397 1.00 2.21 C ATOM 493 CD2 TYR A 33 19.024 -1.190 -6.510 1.00 41.41 C ATOM 494 CE1 TYR A 33 20.866 0.578 -7.558 1.00 74.30 C ATOM 495 CE2 TYR A 33 19.777 -0.399 -5.664 1.00 20.02 C ATOM 496 CZ TYR A 33 20.697 0.483 -6.192 1.00 75.24 C ATOM 497 OH TYR A 33 21.450 1.271 -5.353 1.00 15.14 O ATOM 0 H TYR A 33 16.678 -3.143 -10.209 1.00 23.43 H new ATOM 0 HA TYR A 33 16.544 -0.835 -8.572 1.00 33.32 H new ATOM 0 HB2 TYR A 33 18.018 -2.864 -8.267 1.00 5.34 H new ATOM 0 HB3 TYR A 33 18.976 -2.325 -9.632 1.00 5.34 H new ATOM 0 HD1 TYR A 33 20.241 -0.139 -9.466 1.00 2.21 H new ATOM 0 HD2 TYR A 33 18.307 -1.881 -6.092 1.00 41.41 H new ATOM 0 HE1 TYR A 33 21.587 1.269 -7.969 1.00 74.30 H new ATOM 0 HE2 TYR A 33 19.646 -0.471 -4.594 1.00 20.02 H new ATOM 0 HH TYR A 33 21.208 1.082 -4.422 1.00 15.14 H new ATOM 507 N LYS A 34 17.570 -0.408 -11.612 1.00 62.33 N ATOM 508 CA LYS A 34 17.971 0.584 -12.603 1.00 23.14 C ATOM 509 C LYS A 34 16.787 1.453 -13.012 1.00 51.43 C ATOM 510 O LYS A 34 16.924 2.665 -13.180 1.00 22.22 O ATOM 511 CB LYS A 34 18.562 -0.105 -13.835 1.00 22.22 C ATOM 512 CG LYS A 34 19.823 -0.900 -13.541 1.00 41.54 C ATOM 513 CD LYS A 34 20.881 -0.039 -12.870 1.00 73.24 C ATOM 514 CE LYS A 34 21.267 1.148 -13.739 1.00 62.24 C ATOM 515 NZ LYS A 34 21.875 0.717 -15.029 1.00 21.33 N ATOM 0 H LYS A 34 17.298 -1.309 -12.005 1.00 62.33 H new ATOM 0 HA LYS A 34 18.730 1.224 -12.153 1.00 23.14 H new ATOM 0 HB2 LYS A 34 17.813 -0.772 -14.262 1.00 22.22 H new ATOM 0 HB3 LYS A 34 18.785 0.649 -14.590 1.00 22.22 H new ATOM 0 HG2 LYS A 34 19.579 -1.746 -12.898 1.00 41.54 H new ATOM 0 HG3 LYS A 34 20.221 -1.310 -14.469 1.00 41.54 H new ATOM 0 HD2 LYS A 34 20.506 0.318 -11.911 1.00 73.24 H new ATOM 0 HD3 LYS A 34 21.765 -0.642 -12.663 1.00 73.24 H new ATOM 0 HE2 LYS A 34 20.384 1.754 -13.939 1.00 62.24 H new ATOM 0 HE3 LYS A 34 21.972 1.780 -13.198 1.00 62.24 H new ATOM 0 HZ1 LYS A 34 22.820 1.139 -15.125 1.00 21.33 H new ATOM 0 HZ2 LYS A 34 21.956 -0.320 -15.046 1.00 21.33 H new ATOM 0 HZ3 LYS A 34 21.274 1.030 -15.818 1.00 21.33 H new ATOM 529 N GLN A 35 15.625 0.827 -13.170 1.00 64.13 N ATOM 530 CA GLN A 35 14.418 1.545 -13.559 1.00 55.05 C ATOM 531 C GLN A 35 13.859 2.346 -12.388 1.00 44.51 C ATOM 532 O GLN A 35 13.256 3.402 -12.577 1.00 41.22 O ATOM 533 CB GLN A 35 13.360 0.566 -14.073 1.00 41.30 C ATOM 534 CG GLN A 35 13.093 0.686 -15.565 1.00 3.42 C ATOM 535 CD GLN A 35 13.990 -0.213 -16.392 1.00 61.13 C ATOM 536 OE1 GLN A 35 14.358 -1.307 -15.963 1.00 1.11 O ATOM 537 NE2 GLN A 35 14.347 0.244 -17.587 1.00 22.31 N ATOM 0 H GLN A 35 15.494 -0.176 -13.035 1.00 64.13 H new ATOM 0 HA GLN A 35 14.680 2.239 -14.358 1.00 55.05 H new ATOM 0 HB2 GLN A 35 13.680 -0.452 -13.850 1.00 41.30 H new ATOM 0 HB3 GLN A 35 12.429 0.733 -13.531 1.00 41.30 H new ATOM 0 HG2 GLN A 35 12.051 0.436 -15.765 1.00 3.42 H new ATOM 0 HG3 GLN A 35 13.238 1.721 -15.874 1.00 3.42 H new ATOM 0 HE21 GLN A 35 14.019 1.157 -17.903 1.00 22.31 H new ATOM 0 HE22 GLN A 35 14.949 -0.318 -18.189 1.00 22.31 H new ATOM 546 N ALA A 36 14.065 1.837 -11.178 1.00 13.22 N ATOM 547 CA ALA A 36 13.584 2.506 -9.976 1.00 15.53 C ATOM 548 C ALA A 36 14.563 3.581 -9.516 1.00 51.34 C ATOM 549 O ALA A 36 14.334 4.257 -8.513 1.00 1.14 O ATOM 550 CB ALA A 36 13.350 1.493 -8.865 1.00 40.10 C ATOM 0 H ALA A 36 14.562 0.963 -11.004 1.00 13.22 H new ATOM 0 HA ALA A 36 12.638 2.992 -10.215 1.00 15.53 H new ATOM 0 HB1 ALA A 36 12.991 2.007 -7.973 1.00 40.10 H new ATOM 0 HB2 ALA A 36 12.607 0.764 -9.188 1.00 40.10 H new ATOM 0 HB3 ALA A 36 14.285 0.981 -8.637 1.00 40.10 H new ATOM 556 N THR A 37 15.656 3.735 -10.257 1.00 23.31 N ATOM 557 CA THR A 37 16.672 4.726 -9.925 1.00 14.04 C ATOM 558 C THR A 37 16.845 5.735 -11.054 1.00 10.32 C ATOM 559 O THR A 37 16.774 6.945 -10.835 1.00 74.23 O ATOM 560 CB THR A 37 18.030 4.062 -9.632 1.00 3.13 C ATOM 561 OG1 THR A 37 17.913 3.179 -8.510 1.00 54.34 O ATOM 562 CG2 THR A 37 19.095 5.111 -9.348 1.00 61.12 C ATOM 0 H THR A 37 15.860 3.185 -11.092 1.00 23.31 H new ATOM 0 HA THR A 37 16.328 5.243 -9.029 1.00 14.04 H new ATOM 0 HB THR A 37 18.328 3.493 -10.512 1.00 3.13 H new ATOM 0 HG1 THR A 37 17.938 2.250 -8.821 1.00 54.34 H new ATOM 0 HG21 THR A 37 20.046 4.618 -9.144 1.00 61.12 H new ATOM 0 HG22 THR A 37 19.203 5.764 -10.214 1.00 61.12 H new ATOM 0 HG23 THR A 37 18.800 5.704 -8.482 1.00 61.12 H new ATOM 570 N VAL A 38 17.072 5.231 -12.262 1.00 65.04 N ATOM 571 CA VAL A 38 17.254 6.089 -13.427 1.00 42.11 C ATOM 572 C VAL A 38 15.921 6.384 -14.106 1.00 23.21 C ATOM 573 O VAL A 38 15.467 7.527 -14.136 1.00 64.21 O ATOM 574 CB VAL A 38 18.209 5.449 -14.452 1.00 44.31 C ATOM 575 CG1 VAL A 38 18.342 6.333 -15.683 1.00 11.11 C ATOM 576 CG2 VAL A 38 19.570 5.190 -13.823 1.00 11.34 C ATOM 0 H VAL A 38 17.134 4.232 -12.460 1.00 65.04 H new ATOM 0 HA VAL A 38 17.690 7.021 -13.068 1.00 42.11 H new ATOM 0 HB VAL A 38 17.790 4.492 -14.764 1.00 44.31 H new ATOM 0 HG11 VAL A 38 19.021 5.864 -16.396 1.00 11.11 H new ATOM 0 HG12 VAL A 38 17.363 6.463 -16.145 1.00 11.11 H new ATOM 0 HG13 VAL A 38 18.737 7.306 -15.391 1.00 11.11 H new ATOM 0 HG21 VAL A 38 20.232 4.738 -14.561 1.00 11.34 H new ATOM 0 HG22 VAL A 38 19.998 6.132 -13.481 1.00 11.34 H new ATOM 0 HG23 VAL A 38 19.456 4.514 -12.975 1.00 11.34 H new ATOM 586 N GLY A 39 15.298 5.343 -14.650 1.00 54.21 N ATOM 587 CA GLY A 39 14.022 5.511 -15.321 1.00 51.13 C ATOM 588 C GLY A 39 13.902 4.649 -16.562 1.00 73.21 C ATOM 589 O GLY A 39 12.895 3.967 -16.758 1.00 3.15 O ATOM 0 H GLY A 39 15.654 4.387 -14.638 1.00 54.21 H new ATOM 0 HA2 GLY A 39 13.216 5.262 -14.630 1.00 51.13 H new ATOM 0 HA3 GLY A 39 13.895 6.558 -15.596 1.00 51.13 H new ATOM 593 N ASP A 40 14.929 4.679 -17.403 1.00 42.25 N ATOM 594 CA ASP A 40 14.934 3.895 -18.633 1.00 24.32 C ATOM 595 C ASP A 40 16.362 3.613 -19.091 1.00 72.44 C ATOM 596 O ASP A 40 17.296 4.324 -18.720 1.00 12.25 O ATOM 597 CB ASP A 40 14.167 4.628 -19.734 1.00 62.12 C ATOM 598 CG ASP A 40 14.911 5.846 -20.245 1.00 53.31 C ATOM 599 OD1 ASP A 40 15.738 5.692 -21.168 1.00 13.32 O ATOM 600 OD2 ASP A 40 14.666 6.954 -19.722 1.00 24.34 O ATOM 0 H ASP A 40 15.769 5.238 -17.256 1.00 42.25 H new ATOM 0 HA ASP A 40 14.442 2.944 -18.431 1.00 24.32 H new ATOM 0 HB2 ASP A 40 13.984 3.944 -20.562 1.00 62.12 H new ATOM 0 HB3 ASP A 40 13.193 4.934 -19.352 1.00 62.12 H new ATOM 605 N CYS A 41 16.523 2.571 -19.899 1.00 70.42 N ATOM 606 CA CYS A 41 17.837 2.193 -20.407 1.00 42.12 C ATOM 607 C CYS A 41 18.347 3.220 -21.414 1.00 35.44 C ATOM 608 O CYS A 41 17.581 3.743 -22.222 1.00 44.04 O ATOM 609 CB CYS A 41 17.778 0.810 -21.057 1.00 33.11 C ATOM 610 SG CYS A 41 19.300 0.326 -21.904 1.00 51.34 S ATOM 0 H CYS A 41 15.760 1.973 -20.216 1.00 70.42 H new ATOM 0 HA CYS A 41 18.529 2.161 -19.565 1.00 42.12 H new ATOM 0 HB2 CYS A 41 17.551 0.070 -20.290 1.00 33.11 H new ATOM 0 HB3 CYS A 41 16.955 0.791 -21.772 1.00 33.11 H new ATOM 0 HG CYS A 41 20.189 -0.035 -21.027 1.00 51.34 H new ATOM 616 N ASN A 42 19.644 3.504 -21.356 1.00 74.22 N ATOM 617 CA ASN A 42 20.255 4.470 -22.261 1.00 42.05 C ATOM 618 C ASN A 42 21.760 4.243 -22.364 1.00 23.25 C ATOM 619 O ASN A 42 22.548 5.187 -22.301 1.00 11.00 O ATOM 620 CB ASN A 42 19.975 5.896 -21.784 1.00 14.21 C ATOM 621 CG ASN A 42 20.425 6.126 -20.354 1.00 14.10 C ATOM 622 OD1 ASN A 42 21.518 5.717 -19.962 1.00 54.21 O ATOM 623 ND2 ASN A 42 19.581 6.783 -19.567 1.00 11.51 N ATOM 0 H ASN A 42 20.292 3.079 -20.692 1.00 74.22 H new ATOM 0 HA ASN A 42 19.816 4.332 -23.249 1.00 42.05 H new ATOM 0 HB2 ASN A 42 20.484 6.602 -22.440 1.00 14.21 H new ATOM 0 HB3 ASN A 42 18.907 6.100 -21.863 1.00 14.21 H new ATOM 0 HD21 ASN A 42 19.828 6.967 -18.595 1.00 11.51 H new ATOM 0 HD22 ASN A 42 18.685 7.104 -19.935 1.00 11.51 H new ATOM 630 N LYS A 43 22.154 2.983 -22.522 1.00 14.53 N ATOM 631 CA LYS A 43 23.564 2.630 -22.635 1.00 13.23 C ATOM 632 C LYS A 43 23.832 1.869 -23.929 1.00 51.11 C ATOM 633 O LYS A 43 22.943 1.238 -24.502 1.00 24.13 O ATOM 634 CB LYS A 43 23.997 1.785 -21.435 1.00 13.14 C ATOM 635 CG LYS A 43 24.015 2.554 -20.125 1.00 23.54 C ATOM 636 CD LYS A 43 25.094 3.624 -20.121 1.00 71.22 C ATOM 637 CE LYS A 43 24.578 4.933 -19.543 1.00 62.14 C ATOM 638 NZ LYS A 43 25.653 5.693 -18.847 1.00 52.43 N ATOM 0 H LYS A 43 21.516 2.189 -22.575 1.00 14.53 H new ATOM 0 HA LYS A 43 24.144 3.553 -22.650 1.00 13.23 H new ATOM 0 HB2 LYS A 43 23.323 0.934 -21.338 1.00 13.14 H new ATOM 0 HB3 LYS A 43 24.992 1.383 -21.624 1.00 13.14 H new ATOM 0 HG2 LYS A 43 23.042 3.017 -19.960 1.00 23.54 H new ATOM 0 HG3 LYS A 43 24.183 1.863 -19.299 1.00 23.54 H new ATOM 0 HD2 LYS A 43 25.948 3.279 -19.538 1.00 71.22 H new ATOM 0 HD3 LYS A 43 25.448 3.789 -21.139 1.00 71.22 H new ATOM 0 HE2 LYS A 43 24.161 5.544 -20.343 1.00 62.14 H new ATOM 0 HE3 LYS A 43 23.768 4.727 -18.844 1.00 62.14 H new ATOM 0 HZ1 LYS A 43 25.262 6.579 -18.467 1.00 52.43 H new ATOM 0 HZ2 LYS A 43 26.034 5.120 -18.067 1.00 52.43 H new ATOM 0 HZ3 LYS A 43 26.415 5.912 -19.520 1.00 52.43 H new ATOM 652 N PRO A 44 25.086 1.927 -24.402 1.00 13.30 N ATOM 653 CA PRO A 44 25.500 1.247 -25.633 1.00 10.42 C ATOM 654 C PRO A 44 25.525 -0.269 -25.477 1.00 33.30 C ATOM 655 O PRO A 44 25.642 -0.788 -24.367 1.00 33.15 O ATOM 656 CB PRO A 44 26.913 1.783 -25.876 1.00 1.14 C ATOM 657 CG PRO A 44 27.404 2.182 -24.527 1.00 22.43 C ATOM 658 CD PRO A 44 26.196 2.661 -23.771 1.00 52.01 C ATOM 0 HA PRO A 44 24.810 1.437 -26.455 1.00 10.42 H new ATOM 0 HB2 PRO A 44 27.554 1.022 -26.321 1.00 1.14 H new ATOM 0 HB3 PRO A 44 26.902 2.631 -26.560 1.00 1.14 H new ATOM 0 HG2 PRO A 44 27.874 1.340 -24.018 1.00 22.43 H new ATOM 0 HG3 PRO A 44 28.155 2.969 -24.602 1.00 22.43 H new ATOM 0 HD2 PRO A 44 26.273 2.437 -22.707 1.00 52.01 H new ATOM 0 HD3 PRO A 44 26.067 3.740 -23.861 1.00 52.01 H new ATOM 666 N LYS A 45 25.414 -0.976 -26.597 1.00 24.35 N ATOM 667 CA LYS A 45 25.426 -2.434 -26.586 1.00 31.34 C ATOM 668 C LYS A 45 26.721 -2.964 -25.978 1.00 11.33 C ATOM 669 O LYS A 45 27.815 -2.485 -26.275 1.00 5.22 O ATOM 670 CB LYS A 45 25.258 -2.977 -28.007 1.00 0.23 C ATOM 671 CG LYS A 45 25.226 -4.494 -28.079 1.00 1.32 C ATOM 672 CD LYS A 45 23.806 -5.026 -27.992 1.00 74.24 C ATOM 673 CE LYS A 45 23.783 -6.487 -27.570 1.00 72.33 C ATOM 674 NZ LYS A 45 22.487 -7.141 -27.904 1.00 41.01 N ATOM 0 H LYS A 45 25.315 -0.562 -27.524 1.00 24.35 H new ATOM 0 HA LYS A 45 24.592 -2.774 -25.972 1.00 31.34 H new ATOM 0 HB2 LYS A 45 24.335 -2.582 -28.431 1.00 0.23 H new ATOM 0 HB3 LYS A 45 26.076 -2.609 -28.626 1.00 0.23 H new ATOM 0 HG2 LYS A 45 25.683 -4.825 -29.012 1.00 1.32 H new ATOM 0 HG3 LYS A 45 25.822 -4.910 -27.267 1.00 1.32 H new ATOM 0 HD2 LYS A 45 23.237 -4.431 -27.278 1.00 74.24 H new ATOM 0 HD3 LYS A 45 23.316 -4.918 -28.960 1.00 74.24 H new ATOM 0 HE2 LYS A 45 24.596 -7.020 -28.063 1.00 72.33 H new ATOM 0 HE3 LYS A 45 23.959 -6.558 -26.497 1.00 72.33 H new ATOM 0 HZ1 LYS A 45 22.290 -7.893 -27.213 1.00 41.01 H new ATOM 0 HZ2 LYS A 45 21.724 -6.435 -27.874 1.00 41.01 H new ATOM 0 HZ3 LYS A 45 22.541 -7.552 -28.858 1.00 41.01 H new ATOM 688 N PRO A 46 26.596 -3.976 -25.107 1.00 23.30 N ATOM 689 CA PRO A 46 27.747 -4.594 -24.441 1.00 50.21 C ATOM 690 C PRO A 46 28.611 -5.400 -25.405 1.00 51.31 C ATOM 691 O PRO A 46 28.484 -5.272 -26.622 1.00 64.41 O ATOM 692 CB PRO A 46 27.103 -5.515 -23.402 1.00 21.10 C ATOM 693 CG PRO A 46 25.755 -5.825 -23.955 1.00 32.45 C ATOM 694 CD PRO A 46 25.322 -4.597 -24.706 1.00 5.21 C ATOM 0 HA PRO A 46 28.418 -3.849 -24.013 1.00 50.21 H new ATOM 0 HB2 PRO A 46 27.690 -6.422 -23.259 1.00 21.10 H new ATOM 0 HB3 PRO A 46 27.030 -5.026 -22.431 1.00 21.10 H new ATOM 0 HG2 PRO A 46 25.794 -6.692 -24.614 1.00 32.45 H new ATOM 0 HG3 PRO A 46 25.051 -6.063 -23.157 1.00 32.45 H new ATOM 0 HD2 PRO A 46 24.709 -4.850 -25.571 1.00 5.21 H new ATOM 0 HD3 PRO A 46 24.730 -3.930 -24.079 1.00 5.21 H new ATOM 702 N GLY A 47 29.490 -6.231 -24.852 1.00 55.32 N ATOM 703 CA GLY A 47 30.361 -7.045 -25.678 1.00 62.52 C ATOM 704 C GLY A 47 29.591 -7.907 -26.660 1.00 4.42 C ATOM 705 O GLY A 47 28.364 -7.839 -26.725 1.00 64.21 O ATOM 0 H GLY A 47 29.614 -6.354 -23.847 1.00 55.32 H new ATOM 0 HA2 GLY A 47 31.045 -6.398 -26.227 1.00 62.52 H new ATOM 0 HA3 GLY A 47 30.970 -7.684 -25.039 1.00 62.52 H new ATOM 709 N MET A 48 30.314 -8.717 -27.426 1.00 74.24 N ATOM 710 CA MET A 48 29.690 -9.595 -28.410 1.00 0.10 C ATOM 711 C MET A 48 30.073 -11.050 -28.160 1.00 72.22 C ATOM 712 O MET A 48 29.924 -11.901 -29.038 1.00 64.23 O ATOM 713 CB MET A 48 30.100 -9.183 -29.825 1.00 62.12 C ATOM 714 CG MET A 48 28.937 -8.710 -30.682 1.00 31.42 C ATOM 715 SD MET A 48 29.437 -7.509 -31.930 1.00 74.21 S ATOM 716 CE MET A 48 30.444 -8.532 -33.000 1.00 62.45 C ATOM 0 H MET A 48 31.331 -8.784 -27.385 1.00 74.24 H new ATOM 0 HA MET A 48 28.609 -9.500 -28.311 1.00 0.10 H new ATOM 0 HB2 MET A 48 30.842 -8.387 -29.762 1.00 62.12 H new ATOM 0 HB3 MET A 48 30.582 -10.029 -30.316 1.00 62.12 H new ATOM 0 HG2 MET A 48 28.480 -9.569 -31.173 1.00 31.42 H new ATOM 0 HG3 MET A 48 28.175 -8.266 -30.041 1.00 31.42 H new ATOM 0 HE1 MET A 48 30.828 -7.930 -33.824 1.00 62.45 H new ATOM 0 HE2 MET A 48 31.278 -8.942 -32.431 1.00 62.45 H new ATOM 0 HE3 MET A 48 29.840 -9.348 -33.398 1.00 62.45 H new ATOM 726 N LEU A 49 30.566 -11.330 -26.959 1.00 0.42 N ATOM 727 CA LEU A 49 30.971 -12.683 -26.594 1.00 14.24 C ATOM 728 C LEU A 49 30.277 -13.131 -25.311 1.00 62.02 C ATOM 729 O LEU A 49 30.453 -14.264 -24.863 1.00 52.24 O ATOM 730 CB LEU A 49 32.489 -12.752 -26.417 1.00 75.33 C ATOM 731 CG LEU A 49 33.131 -11.588 -25.662 1.00 54.24 C ATOM 732 CD1 LEU A 49 33.184 -10.347 -26.541 1.00 22.35 C ATOM 733 CD2 LEU A 49 32.369 -11.301 -24.377 1.00 12.12 C ATOM 0 H LEU A 49 30.695 -10.638 -26.221 1.00 0.42 H new ATOM 0 HA LEU A 49 30.675 -13.355 -27.400 1.00 14.24 H new ATOM 0 HB2 LEU A 49 32.732 -13.676 -25.893 1.00 75.33 H new ATOM 0 HB3 LEU A 49 32.947 -12.815 -27.404 1.00 75.33 H new ATOM 0 HG LEU A 49 34.152 -11.868 -25.401 1.00 54.24 H new ATOM 0 HD11 LEU A 49 33.644 -9.528 -25.987 1.00 22.35 H new ATOM 0 HD12 LEU A 49 33.773 -10.558 -27.433 1.00 22.35 H new ATOM 0 HD13 LEU A 49 32.173 -10.064 -26.833 1.00 22.35 H new ATOM 0 HD21 LEU A 49 32.840 -10.470 -23.853 1.00 12.12 H new ATOM 0 HD22 LEU A 49 31.338 -11.042 -24.616 1.00 12.12 H new ATOM 0 HD23 LEU A 49 32.383 -12.186 -23.741 1.00 12.12 H new ATOM 745 N GLN A 50 29.488 -12.235 -24.727 1.00 70.21 N ATOM 746 CA GLN A 50 28.767 -12.540 -23.497 1.00 11.11 C ATOM 747 C GLN A 50 27.298 -12.833 -23.785 1.00 63.42 C ATOM 748 O GLN A 50 26.700 -12.239 -24.683 1.00 11.43 O ATOM 749 CB GLN A 50 28.883 -11.376 -22.511 1.00 53.23 C ATOM 750 CG GLN A 50 29.900 -11.613 -21.407 1.00 13.14 C ATOM 751 CD GLN A 50 29.605 -10.804 -20.159 1.00 3.12 C ATOM 752 OE1 GLN A 50 29.720 -11.304 -19.039 1.00 52.24 O ATOM 753 NE2 GLN A 50 29.223 -9.546 -20.345 1.00 44.21 N ATOM 0 H GLN A 50 29.332 -11.293 -25.085 1.00 70.21 H new ATOM 0 HA GLN A 50 29.216 -13.429 -23.054 1.00 11.11 H new ATOM 0 HB2 GLN A 50 29.156 -10.474 -23.058 1.00 53.23 H new ATOM 0 HB3 GLN A 50 27.907 -11.193 -22.061 1.00 53.23 H new ATOM 0 HG2 GLN A 50 29.915 -12.673 -21.153 1.00 13.14 H new ATOM 0 HG3 GLN A 50 30.895 -11.359 -21.774 1.00 13.14 H new ATOM 0 HE21 GLN A 50 29.141 -9.172 -21.291 1.00 44.21 H new ATOM 0 HE22 GLN A 50 29.012 -8.953 -19.542 1.00 44.21 H new ATOM 762 N LEU A 51 26.723 -13.754 -23.019 1.00 52.34 N ATOM 763 CA LEU A 51 25.323 -14.127 -23.193 1.00 2.14 C ATOM 764 C LEU A 51 24.422 -13.295 -22.286 1.00 54.35 C ATOM 765 O LEU A 51 23.503 -12.624 -22.757 1.00 1.04 O ATOM 766 CB LEU A 51 25.131 -15.615 -22.895 1.00 1.04 C ATOM 767 CG LEU A 51 26.047 -16.575 -23.655 1.00 34.33 C ATOM 768 CD1 LEU A 51 26.609 -17.631 -22.716 1.00 65.42 C ATOM 769 CD2 LEU A 51 25.296 -17.228 -24.806 1.00 63.15 C ATOM 0 H LEU A 51 27.204 -14.256 -22.272 1.00 52.34 H new ATOM 0 HA LEU A 51 25.046 -13.931 -24.229 1.00 2.14 H new ATOM 0 HB2 LEU A 51 25.278 -15.773 -21.827 1.00 1.04 H new ATOM 0 HB3 LEU A 51 24.097 -15.879 -23.117 1.00 1.04 H new ATOM 0 HG LEU A 51 26.879 -16.004 -24.067 1.00 34.33 H new ATOM 0 HD11 LEU A 51 27.259 -18.305 -23.274 1.00 65.42 H new ATOM 0 HD12 LEU A 51 27.182 -17.147 -21.925 1.00 65.42 H new ATOM 0 HD13 LEU A 51 25.790 -18.199 -22.275 1.00 65.42 H new ATOM 0 HD21 LEU A 51 25.963 -17.908 -25.336 1.00 63.15 H new ATOM 0 HD22 LEU A 51 24.445 -17.786 -24.415 1.00 63.15 H new ATOM 0 HD23 LEU A 51 24.942 -16.459 -25.492 1.00 63.15 H new ATOM 781 N GLN A 52 24.692 -13.342 -20.986 1.00 44.01 N ATOM 782 CA GLN A 52 23.906 -12.591 -20.015 1.00 0.22 C ATOM 783 C GLN A 52 23.830 -11.117 -20.399 1.00 55.03 C ATOM 784 O GLN A 52 22.805 -10.466 -20.198 1.00 31.22 O ATOM 785 CB GLN A 52 24.511 -12.735 -18.617 1.00 15.30 C ATOM 786 CG GLN A 52 24.220 -14.076 -17.964 1.00 23.33 C ATOM 787 CD GLN A 52 24.808 -15.241 -18.736 1.00 54.24 C ATOM 788 OE1 GLN A 52 24.136 -16.245 -18.975 1.00 55.41 O ATOM 789 NE2 GLN A 52 26.069 -15.113 -19.132 1.00 74.04 N ATOM 0 H GLN A 52 25.449 -13.892 -20.581 1.00 44.01 H new ATOM 0 HA GLN A 52 22.895 -12.999 -20.010 1.00 0.22 H new ATOM 0 HB2 GLN A 52 25.590 -12.598 -18.681 1.00 15.30 H new ATOM 0 HB3 GLN A 52 24.126 -11.939 -17.980 1.00 15.30 H new ATOM 0 HG2 GLN A 52 24.621 -14.077 -16.951 1.00 23.33 H new ATOM 0 HG3 GLN A 52 23.141 -14.208 -17.880 1.00 23.33 H new ATOM 0 HE21 GLN A 52 26.589 -14.263 -18.912 1.00 74.04 H new ATOM 0 HE22 GLN A 52 26.518 -15.864 -19.656 1.00 74.04 H new ATOM 798 N GLU A 53 24.921 -10.598 -20.953 1.00 54.54 N ATOM 799 CA GLU A 53 24.976 -9.200 -21.365 1.00 1.43 C ATOM 800 C GLU A 53 23.749 -8.827 -22.192 1.00 1.31 C ATOM 801 O GLU A 53 23.208 -7.728 -22.062 1.00 25.33 O ATOM 802 CB GLU A 53 26.249 -8.932 -22.171 1.00 72.30 C ATOM 803 CG GLU A 53 26.162 -9.393 -23.616 1.00 54.03 C ATOM 804 CD GLU A 53 27.484 -9.272 -24.348 1.00 42.30 C ATOM 805 OE1 GLU A 53 28.358 -8.517 -23.874 1.00 4.15 O ATOM 806 OE2 GLU A 53 27.645 -9.933 -25.396 1.00 13.53 O ATOM 0 H GLU A 53 25.778 -11.124 -21.127 1.00 54.54 H new ATOM 0 HA GLU A 53 24.987 -8.584 -20.466 1.00 1.43 H new ATOM 0 HB2 GLU A 53 26.463 -7.863 -22.152 1.00 72.30 H new ATOM 0 HB3 GLU A 53 27.087 -9.434 -21.688 1.00 72.30 H new ATOM 0 HG2 GLU A 53 25.830 -10.431 -23.643 1.00 54.03 H new ATOM 0 HG3 GLU A 53 25.407 -8.803 -24.137 1.00 54.03 H new ATOM 813 N LYS A 54 23.315 -9.749 -23.044 1.00 32.11 N ATOM 814 CA LYS A 54 22.152 -9.520 -23.893 1.00 32.00 C ATOM 815 C LYS A 54 20.870 -9.499 -23.066 1.00 61.21 C ATOM 816 O LYS A 54 20.009 -8.641 -23.259 1.00 42.53 O ATOM 817 CB LYS A 54 22.059 -10.604 -24.970 1.00 2.34 C ATOM 818 CG LYS A 54 23.058 -10.425 -26.100 1.00 22.23 C ATOM 819 CD LYS A 54 24.244 -11.364 -25.949 1.00 54.14 C ATOM 820 CE LYS A 54 23.870 -12.795 -26.305 1.00 41.20 C ATOM 821 NZ LYS A 54 23.397 -12.911 -27.712 1.00 63.23 N ATOM 0 H LYS A 54 23.752 -10.663 -23.165 1.00 32.11 H new ATOM 0 HA LYS A 54 22.270 -8.549 -24.373 1.00 32.00 H new ATOM 0 HB2 LYS A 54 22.217 -11.578 -24.508 1.00 2.34 H new ATOM 0 HB3 LYS A 54 21.051 -10.607 -25.384 1.00 2.34 H new ATOM 0 HG2 LYS A 54 22.566 -10.610 -27.055 1.00 22.23 H new ATOM 0 HG3 LYS A 54 23.409 -9.393 -26.117 1.00 22.23 H new ATOM 0 HD2 LYS A 54 25.059 -11.029 -26.591 1.00 54.14 H new ATOM 0 HD3 LYS A 54 24.611 -11.327 -24.923 1.00 54.14 H new ATOM 0 HE2 LYS A 54 24.734 -13.443 -26.158 1.00 41.20 H new ATOM 0 HE3 LYS A 54 23.090 -13.145 -25.629 1.00 41.20 H new ATOM 0 HZ1 LYS A 54 23.522 -13.890 -28.041 1.00 63.23 H new ATOM 0 HZ2 LYS A 54 22.390 -12.655 -27.762 1.00 63.23 H new ATOM 0 HZ3 LYS A 54 23.948 -12.269 -28.317 1.00 63.23 H new ATOM 835 N TYR A 55 20.751 -10.448 -22.144 1.00 71.23 N ATOM 836 CA TYR A 55 19.574 -10.539 -21.289 1.00 12.03 C ATOM 837 C TYR A 55 19.500 -9.350 -20.336 1.00 53.40 C ATOM 838 O TYR A 55 18.418 -8.952 -19.903 1.00 1.04 O ATOM 839 CB TYR A 55 19.596 -11.844 -20.492 1.00 22.43 C ATOM 840 CG TYR A 55 19.931 -13.059 -21.328 1.00 54.21 C ATOM 841 CD1 TYR A 55 19.485 -13.168 -22.639 1.00 74.13 C ATOM 842 CD2 TYR A 55 20.694 -14.097 -20.807 1.00 14.40 C ATOM 843 CE1 TYR A 55 19.787 -14.276 -23.407 1.00 22.34 C ATOM 844 CE2 TYR A 55 21.002 -15.208 -21.567 1.00 43.15 C ATOM 845 CZ TYR A 55 20.546 -15.293 -22.866 1.00 64.35 C ATOM 846 OH TYR A 55 20.851 -16.398 -23.628 1.00 61.11 O ATOM 0 H TYR A 55 21.455 -11.165 -21.970 1.00 71.23 H new ATOM 0 HA TYR A 55 18.691 -10.526 -21.928 1.00 12.03 H new ATOM 0 HB2 TYR A 55 20.325 -11.756 -19.686 1.00 22.43 H new ATOM 0 HB3 TYR A 55 18.622 -11.992 -20.026 1.00 22.43 H new ATOM 0 HD1 TYR A 55 18.892 -12.373 -23.065 1.00 74.13 H new ATOM 0 HD2 TYR A 55 21.052 -14.034 -19.790 1.00 14.40 H new ATOM 0 HE1 TYR A 55 19.431 -14.346 -24.424 1.00 22.34 H new ATOM 0 HE2 TYR A 55 21.596 -16.006 -21.147 1.00 43.15 H new ATOM 0 HH TYR A 55 21.393 -17.020 -23.099 1.00 61.11 H new ATOM 856 N LYS A 56 20.659 -8.785 -20.014 1.00 55.23 N ATOM 857 CA LYS A 56 20.728 -7.639 -19.115 1.00 23.32 C ATOM 858 C LYS A 56 20.538 -6.334 -19.881 1.00 2.14 C ATOM 859 O LYS A 56 20.143 -5.319 -19.307 1.00 35.11 O ATOM 860 CB LYS A 56 22.071 -7.622 -18.381 1.00 43.23 C ATOM 861 CG LYS A 56 22.205 -8.711 -17.332 1.00 23.43 C ATOM 862 CD LYS A 56 23.641 -8.853 -16.856 1.00 23.45 C ATOM 863 CE LYS A 56 23.705 -9.275 -15.396 1.00 22.54 C ATOM 864 NZ LYS A 56 24.992 -8.879 -14.760 1.00 22.43 N ATOM 0 H LYS A 56 21.564 -9.102 -20.362 1.00 55.23 H new ATOM 0 HA LYS A 56 19.923 -7.731 -18.386 1.00 23.32 H new ATOM 0 HB2 LYS A 56 22.875 -7.730 -19.109 1.00 43.23 H new ATOM 0 HB3 LYS A 56 22.202 -6.651 -17.903 1.00 43.23 H new ATOM 0 HG2 LYS A 56 21.560 -8.481 -16.483 1.00 23.43 H new ATOM 0 HG3 LYS A 56 21.862 -9.660 -17.745 1.00 23.43 H new ATOM 0 HD2 LYS A 56 24.158 -9.589 -17.472 1.00 23.45 H new ATOM 0 HD3 LYS A 56 24.164 -7.905 -16.985 1.00 23.45 H new ATOM 0 HE2 LYS A 56 22.876 -8.823 -14.851 1.00 22.54 H new ATOM 0 HE3 LYS A 56 23.582 -10.356 -15.325 1.00 22.54 H new ATOM 0 HZ1 LYS A 56 24.996 -9.184 -13.766 1.00 22.43 H new ATOM 0 HZ2 LYS A 56 25.782 -9.330 -15.264 1.00 22.43 H new ATOM 0 HZ3 LYS A 56 25.098 -7.845 -14.805 1.00 22.43 H new ATOM 878 N TRP A 57 20.821 -6.368 -21.178 1.00 1.13 N ATOM 879 CA TRP A 57 20.680 -5.187 -22.022 1.00 15.11 C ATOM 880 C TRP A 57 19.290 -5.127 -22.646 1.00 34.23 C ATOM 881 O TRP A 57 18.789 -4.049 -22.963 1.00 73.13 O ATOM 882 CB TRP A 57 21.745 -5.189 -23.119 1.00 50.43 C ATOM 883 CG TRP A 57 21.950 -3.844 -23.750 1.00 61.50 C ATOM 884 CD1 TRP A 57 22.602 -2.775 -23.206 1.00 42.11 C ATOM 885 CD2 TRP A 57 21.499 -3.427 -25.043 1.00 12.21 C ATOM 886 NE1 TRP A 57 22.583 -1.717 -24.083 1.00 64.32 N ATOM 887 CE2 TRP A 57 21.913 -2.092 -25.218 1.00 3.14 C ATOM 888 CE3 TRP A 57 20.787 -4.051 -26.071 1.00 12.22 C ATOM 889 CZ2 TRP A 57 21.637 -1.373 -26.378 1.00 4.25 C ATOM 890 CZ3 TRP A 57 20.513 -3.336 -27.221 1.00 45.32 C ATOM 891 CH2 TRP A 57 20.939 -2.009 -27.368 1.00 14.55 C ATOM 0 H TRP A 57 21.149 -7.200 -21.668 1.00 1.13 H new ATOM 0 HA TRP A 57 20.815 -4.305 -21.396 1.00 15.11 H new ATOM 0 HB2 TRP A 57 22.690 -5.533 -22.698 1.00 50.43 H new ATOM 0 HB3 TRP A 57 21.461 -5.905 -23.890 1.00 50.43 H new ATOM 0 HD1 TRP A 57 23.065 -2.763 -22.230 1.00 42.11 H new ATOM 0 HE1 TRP A 57 23.000 -0.801 -23.916 1.00 64.32 H new ATOM 0 HE3 TRP A 57 20.457 -5.074 -25.968 1.00 12.22 H new ATOM 0 HZ2 TRP A 57 21.962 -0.350 -26.492 1.00 4.25 H new ATOM 0 HZ3 TRP A 57 19.961 -3.808 -28.020 1.00 45.32 H new ATOM 0 HH2 TRP A 57 20.712 -1.478 -28.281 1.00 14.55 H new ATOM 902 N GLU A 58 18.672 -6.292 -22.818 1.00 2.21 N ATOM 903 CA GLU A 58 17.340 -6.370 -23.405 1.00 15.33 C ATOM 904 C GLU A 58 16.268 -6.063 -22.363 1.00 35.01 C ATOM 905 O GLU A 58 15.301 -5.354 -22.642 1.00 32.53 O ATOM 906 CB GLU A 58 17.102 -7.758 -24.004 1.00 1.45 C ATOM 907 CG GLU A 58 17.908 -8.023 -25.264 1.00 51.31 C ATOM 908 CD GLU A 58 17.099 -7.811 -26.529 1.00 12.00 C ATOM 909 OE1 GLU A 58 16.340 -8.728 -26.907 1.00 50.14 O ATOM 910 OE2 GLU A 58 17.224 -6.730 -27.140 1.00 44.53 O ATOM 0 H GLU A 58 19.073 -7.194 -22.559 1.00 2.21 H new ATOM 0 HA GLU A 58 17.276 -5.625 -24.198 1.00 15.33 H new ATOM 0 HB2 GLU A 58 17.350 -8.514 -23.259 1.00 1.45 H new ATOM 0 HB3 GLU A 58 16.042 -7.870 -24.231 1.00 1.45 H new ATOM 0 HG2 GLU A 58 18.778 -7.366 -25.279 1.00 51.31 H new ATOM 0 HG3 GLU A 58 18.282 -9.047 -25.243 1.00 51.31 H new ATOM 917 N ALA A 59 16.447 -6.603 -21.162 1.00 14.33 N ATOM 918 CA ALA A 59 15.497 -6.386 -20.078 1.00 35.23 C ATOM 919 C ALA A 59 15.425 -4.911 -19.696 1.00 62.45 C ATOM 920 O ALA A 59 14.342 -4.330 -19.630 1.00 4.22 O ATOM 921 CB ALA A 59 15.875 -7.228 -18.868 1.00 70.22 C ATOM 0 H ALA A 59 17.241 -7.194 -20.915 1.00 14.33 H new ATOM 0 HA ALA A 59 14.511 -6.692 -20.427 1.00 35.23 H new ATOM 0 HB1 ALA A 59 15.157 -7.056 -18.066 1.00 70.22 H new ATOM 0 HB2 ALA A 59 15.867 -8.283 -19.142 1.00 70.22 H new ATOM 0 HB3 ALA A 59 16.872 -6.949 -18.528 1.00 70.22 H new ATOM 927 N TRP A 60 16.584 -4.313 -19.447 1.00 23.30 N ATOM 928 CA TRP A 60 16.652 -2.906 -19.071 1.00 45.44 C ATOM 929 C TRP A 60 16.036 -2.024 -20.152 1.00 5.52 C ATOM 930 O TRP A 60 15.550 -0.929 -19.870 1.00 25.23 O ATOM 931 CB TRP A 60 18.104 -2.492 -18.825 1.00 22.15 C ATOM 932 CG TRP A 60 18.235 -1.182 -18.108 1.00 41.04 C ATOM 933 CD1 TRP A 60 17.315 -0.605 -17.281 1.00 13.31 C ATOM 934 CD2 TRP A 60 19.351 -0.286 -18.158 1.00 53.12 C ATOM 935 NE1 TRP A 60 17.791 0.596 -16.813 1.00 51.43 N ATOM 936 CE2 TRP A 60 19.038 0.814 -17.336 1.00 1.41 C ATOM 937 CE3 TRP A 60 20.584 -0.307 -18.815 1.00 53.33 C ATOM 938 CZ2 TRP A 60 19.914 1.882 -17.157 1.00 21.35 C ATOM 939 CZ3 TRP A 60 21.452 0.753 -18.636 1.00 52.55 C ATOM 940 CH2 TRP A 60 21.114 1.835 -17.812 1.00 43.21 C ATOM 0 H TRP A 60 17.489 -4.780 -19.499 1.00 23.30 H new ATOM 0 HA TRP A 60 16.083 -2.773 -18.151 1.00 45.44 H new ATOM 0 HB2 TRP A 60 18.602 -3.268 -18.243 1.00 22.15 H new ATOM 0 HB3 TRP A 60 18.623 -2.428 -19.781 1.00 22.15 H new ATOM 0 HD1 TRP A 60 16.354 -1.030 -17.031 1.00 13.31 H new ATOM 0 HE1 TRP A 60 17.296 1.223 -16.179 1.00 51.43 H new ATOM 0 HE3 TRP A 60 20.854 -1.137 -19.451 1.00 53.33 H new ATOM 0 HZ2 TRP A 60 19.655 2.718 -16.524 1.00 21.35 H new ATOM 0 HZ3 TRP A 60 22.407 0.748 -19.140 1.00 52.55 H new ATOM 0 HH2 TRP A 60 21.815 2.648 -17.692 1.00 43.21 H new ATOM 951 N ASN A 61 16.060 -2.507 -21.389 1.00 61.35 N ATOM 952 CA ASN A 61 15.504 -1.762 -22.512 1.00 54.54 C ATOM 953 C ASN A 61 14.006 -2.020 -22.649 1.00 23.33 C ATOM 954 O ASN A 61 13.248 -1.140 -23.055 1.00 3.13 O ATOM 955 CB ASN A 61 16.219 -2.144 -23.810 1.00 12.41 C ATOM 956 CG ASN A 61 15.597 -1.487 -25.028 1.00 5.05 C ATOM 957 OD1 ASN A 61 16.066 -0.449 -25.494 1.00 4.43 O ATOM 958 ND2 ASN A 61 14.536 -2.091 -25.548 1.00 70.44 N ATOM 0 H ASN A 61 16.459 -3.412 -21.640 1.00 61.35 H new ATOM 0 HA ASN A 61 15.656 -0.700 -22.320 1.00 54.54 H new ATOM 0 HB2 ASN A 61 17.268 -1.857 -23.742 1.00 12.41 H new ATOM 0 HB3 ASN A 61 16.192 -3.227 -23.931 1.00 12.41 H new ATOM 0 HD21 ASN A 61 14.075 -1.696 -26.368 1.00 70.44 H new ATOM 0 HD22 ASN A 61 14.182 -2.950 -25.128 1.00 70.44 H new ATOM 965 N ALA A 62 13.588 -3.234 -22.306 1.00 35.11 N ATOM 966 CA ALA A 62 12.181 -3.608 -22.387 1.00 61.33 C ATOM 967 C ALA A 62 11.342 -2.811 -21.394 1.00 45.45 C ATOM 968 O ALA A 62 10.133 -2.655 -21.571 1.00 64.14 O ATOM 969 CB ALA A 62 12.017 -5.101 -22.140 1.00 51.35 C ATOM 0 H ALA A 62 14.203 -3.975 -21.970 1.00 35.11 H new ATOM 0 HA ALA A 62 11.826 -3.375 -23.391 1.00 61.33 H new ATOM 0 HB1 ALA A 62 10.962 -5.367 -22.203 1.00 51.35 H new ATOM 0 HB2 ALA A 62 12.577 -5.658 -22.891 1.00 51.35 H new ATOM 0 HB3 ALA A 62 12.395 -5.349 -21.148 1.00 51.35 H new ATOM 975 N LEU A 63 11.991 -2.307 -20.350 1.00 33.52 N ATOM 976 CA LEU A 63 11.304 -1.526 -19.327 1.00 40.44 C ATOM 977 C LEU A 63 11.419 -0.032 -19.615 1.00 70.13 C ATOM 978 O LEU A 63 11.039 0.800 -18.792 1.00 33.04 O ATOM 979 CB LEU A 63 11.882 -1.836 -17.946 1.00 23.22 C ATOM 980 CG LEU A 63 11.309 -3.065 -17.239 1.00 11.22 C ATOM 981 CD1 LEU A 63 11.381 -4.284 -18.145 1.00 73.10 C ATOM 982 CD2 LEU A 63 12.049 -3.323 -15.934 1.00 74.33 C ATOM 0 H LEU A 63 12.991 -2.425 -20.190 1.00 33.52 H new ATOM 0 HA LEU A 63 10.249 -1.801 -19.342 1.00 40.44 H new ATOM 0 HB2 LEU A 63 12.959 -1.969 -18.047 1.00 23.22 H new ATOM 0 HB3 LEU A 63 11.726 -0.968 -17.306 1.00 23.22 H new ATOM 0 HG LEU A 63 10.262 -2.872 -17.007 1.00 11.22 H new ATOM 0 HD11 LEU A 63 10.969 -5.149 -17.625 1.00 73.10 H new ATOM 0 HD12 LEU A 63 10.806 -4.098 -19.052 1.00 73.10 H new ATOM 0 HD13 LEU A 63 12.420 -4.481 -18.409 1.00 73.10 H new ATOM 0 HD21 LEU A 63 11.628 -4.201 -15.444 1.00 74.33 H new ATOM 0 HD22 LEU A 63 13.105 -3.495 -16.142 1.00 74.33 H new ATOM 0 HD23 LEU A 63 11.945 -2.458 -15.279 1.00 74.33 H new ATOM 994 N ARG A 64 11.944 0.300 -20.790 1.00 52.03 N ATOM 995 CA ARG A 64 12.108 1.693 -21.187 1.00 53.24 C ATOM 996 C ARG A 64 10.792 2.455 -21.055 1.00 20.31 C ATOM 997 O ARG A 64 9.810 2.139 -21.726 1.00 2.51 O ATOM 998 CB ARG A 64 12.616 1.779 -22.628 1.00 30.22 C ATOM 999 CG ARG A 64 14.132 1.776 -22.740 1.00 12.31 C ATOM 1000 CD ARG A 64 14.583 1.672 -24.188 1.00 41.23 C ATOM 1001 NE ARG A 64 14.340 2.908 -24.928 1.00 35.04 N ATOM 1002 CZ ARG A 64 14.711 3.095 -26.189 1.00 41.11 C ATOM 1003 NH1 ARG A 64 15.339 2.132 -26.848 1.00 65.44 N ATOM 1004 NH2 ARG A 64 14.454 4.248 -26.794 1.00 34.21 N ATOM 0 H ARG A 64 12.263 -0.377 -21.483 1.00 52.03 H new ATOM 0 HA ARG A 64 12.841 2.150 -20.522 1.00 53.24 H new ATOM 0 HB2 ARG A 64 12.216 0.939 -23.196 1.00 30.22 H new ATOM 0 HB3 ARG A 64 12.228 2.688 -23.088 1.00 30.22 H new ATOM 0 HG2 ARG A 64 14.532 2.688 -22.298 1.00 12.31 H new ATOM 0 HG3 ARG A 64 14.538 0.940 -22.170 1.00 12.31 H new ATOM 0 HD2 ARG A 64 15.646 1.433 -24.220 1.00 41.23 H new ATOM 0 HD3 ARG A 64 14.057 0.850 -24.673 1.00 41.23 H new ATOM 0 HE ARG A 64 13.859 3.669 -24.449 1.00 35.04 H new ATOM 0 HH11 ARG A 64 15.538 1.244 -26.387 1.00 65.44 H new ATOM 0 HH12 ARG A 64 15.623 2.278 -27.817 1.00 65.44 H new ATOM 0 HH21 ARG A 64 13.971 4.992 -26.290 1.00 34.21 H new ATOM 0 HH22 ARG A 64 14.740 4.390 -27.763 1.00 34.21 H new ATOM 1018 N GLY A 65 10.780 3.459 -20.184 1.00 5.14 N ATOM 1019 CA GLY A 65 9.581 4.249 -19.978 1.00 54.23 C ATOM 1020 C GLY A 65 8.944 3.996 -18.626 1.00 4.51 C ATOM 1021 O GLY A 65 8.107 4.776 -18.171 1.00 64.32 O ATOM 0 H GLY A 65 11.580 3.739 -19.617 1.00 5.14 H new ATOM 0 HA2 GLY A 65 9.827 5.307 -20.068 1.00 54.23 H new ATOM 0 HA3 GLY A 65 8.861 4.022 -20.764 1.00 54.23 H new ATOM 1025 N MET A 66 9.341 2.903 -17.982 1.00 54.43 N ATOM 1026 CA MET A 66 8.802 2.550 -16.674 1.00 4.13 C ATOM 1027 C MET A 66 9.093 3.646 -15.653 1.00 31.53 C ATOM 1028 O MET A 66 10.054 4.401 -15.795 1.00 42.05 O ATOM 1029 CB MET A 66 9.394 1.222 -16.197 1.00 11.32 C ATOM 1030 CG MET A 66 8.500 0.475 -15.220 1.00 64.23 C ATOM 1031 SD MET A 66 8.517 -1.308 -15.489 1.00 33.11 S ATOM 1032 CE MET A 66 9.764 -1.817 -14.309 1.00 3.11 C ATOM 0 H MET A 66 10.033 2.247 -18.344 1.00 54.43 H new ATOM 0 HA MET A 66 7.721 2.444 -16.770 1.00 4.13 H new ATOM 0 HB2 MET A 66 9.584 0.587 -17.062 1.00 11.32 H new ATOM 0 HB3 MET A 66 10.357 1.412 -15.723 1.00 11.32 H new ATOM 0 HG2 MET A 66 8.824 0.688 -14.201 1.00 64.23 H new ATOM 0 HG3 MET A 66 7.478 0.843 -15.314 1.00 64.23 H new ATOM 0 HE1 MET A 66 10.005 -2.869 -14.465 1.00 3.11 H new ATOM 0 HE2 MET A 66 10.662 -1.215 -14.446 1.00 3.11 H new ATOM 0 HE3 MET A 66 9.385 -1.678 -13.296 1.00 3.11 H new ATOM 1042 N SER A 67 8.256 3.726 -14.623 1.00 60.22 N ATOM 1043 CA SER A 67 8.421 4.732 -13.580 1.00 61.35 C ATOM 1044 C SER A 67 9.178 4.158 -12.387 1.00 21.43 C ATOM 1045 O SER A 67 9.585 2.995 -12.394 1.00 50.23 O ATOM 1046 CB SER A 67 7.057 5.257 -13.129 1.00 2.50 C ATOM 1047 OG SER A 67 6.171 5.386 -14.227 1.00 70.53 O ATOM 0 H SER A 67 7.457 3.106 -14.489 1.00 60.22 H new ATOM 0 HA SER A 67 9.001 5.557 -13.993 1.00 61.35 H new ATOM 0 HB2 SER A 67 6.629 4.579 -12.390 1.00 2.50 H new ATOM 0 HB3 SER A 67 7.179 6.224 -12.641 1.00 2.50 H new ATOM 0 HG SER A 67 5.306 5.722 -13.912 1.00 70.53 H new ATOM 1053 N THR A 68 9.364 4.981 -11.360 1.00 1.50 N ATOM 1054 CA THR A 68 10.073 4.558 -10.159 1.00 13.11 C ATOM 1055 C THR A 68 9.190 3.679 -9.280 1.00 55.44 C ATOM 1056 O THR A 68 9.646 2.676 -8.733 1.00 51.32 O ATOM 1057 CB THR A 68 10.555 5.767 -9.336 1.00 1.34 C ATOM 1058 OG1 THR A 68 11.433 6.578 -10.124 1.00 51.34 O ATOM 1059 CG2 THR A 68 11.274 5.311 -8.075 1.00 11.42 C ATOM 0 H THR A 68 9.033 5.945 -11.336 1.00 1.50 H new ATOM 0 HA THR A 68 10.939 3.984 -10.489 1.00 13.11 H new ATOM 0 HB THR A 68 9.682 6.352 -9.047 1.00 1.34 H new ATOM 0 HG1 THR A 68 11.733 7.345 -9.594 1.00 51.34 H new ATOM 0 HG21 THR A 68 11.605 6.182 -7.510 1.00 11.42 H new ATOM 0 HG22 THR A 68 10.594 4.718 -7.463 1.00 11.42 H new ATOM 0 HG23 THR A 68 12.138 4.705 -8.348 1.00 11.42 H new ATOM 1067 N GLU A 69 7.923 4.063 -9.151 1.00 22.12 N ATOM 1068 CA GLU A 69 6.977 3.308 -8.338 1.00 13.31 C ATOM 1069 C GLU A 69 6.648 1.968 -8.989 1.00 54.12 C ATOM 1070 O GLU A 69 6.415 0.973 -8.303 1.00 63.21 O ATOM 1071 CB GLU A 69 5.693 4.115 -8.129 1.00 24.12 C ATOM 1072 CG GLU A 69 5.887 5.355 -7.273 1.00 12.23 C ATOM 1073 CD GLU A 69 4.606 5.801 -6.593 1.00 64.43 C ATOM 1074 OE1 GLU A 69 3.708 6.309 -7.295 1.00 55.11 O ATOM 1075 OE2 GLU A 69 4.504 5.640 -5.359 1.00 34.10 O ATOM 0 H GLU A 69 7.529 4.891 -9.598 1.00 22.12 H new ATOM 0 HA GLU A 69 7.440 3.118 -7.370 1.00 13.31 H new ATOM 0 HB2 GLU A 69 5.298 4.412 -9.101 1.00 24.12 H new ATOM 0 HB3 GLU A 69 4.944 3.475 -7.663 1.00 24.12 H new ATOM 0 HG2 GLU A 69 6.645 5.154 -6.516 1.00 12.23 H new ATOM 0 HG3 GLU A 69 6.265 6.166 -7.895 1.00 12.23 H new ATOM 1082 N SER A 70 6.629 1.951 -10.318 1.00 42.31 N ATOM 1083 CA SER A 70 6.324 0.735 -11.063 1.00 43.41 C ATOM 1084 C SER A 70 7.390 -0.330 -10.825 1.00 4.45 C ATOM 1085 O SER A 70 7.077 -1.497 -10.594 1.00 55.04 O ATOM 1086 CB SER A 70 6.218 1.041 -12.558 1.00 44.24 C ATOM 1087 OG SER A 70 5.113 1.885 -12.829 1.00 51.42 O ATOM 0 H SER A 70 6.821 2.766 -10.901 1.00 42.31 H new ATOM 0 HA SER A 70 5.367 0.352 -10.709 1.00 43.41 H new ATOM 0 HB2 SER A 70 7.136 1.518 -12.901 1.00 44.24 H new ATOM 0 HB3 SER A 70 6.114 0.111 -13.116 1.00 44.24 H new ATOM 0 HG SER A 70 5.068 2.067 -13.791 1.00 51.42 H new ATOM 1093 N ALA A 71 8.653 0.083 -10.882 1.00 34.45 N ATOM 1094 CA ALA A 71 9.766 -0.834 -10.670 1.00 31.20 C ATOM 1095 C ALA A 71 9.790 -1.347 -9.234 1.00 55.00 C ATOM 1096 O ALA A 71 9.847 -2.553 -8.995 1.00 62.42 O ATOM 1097 CB ALA A 71 11.083 -0.153 -11.011 1.00 12.21 C ATOM 0 H ALA A 71 8.930 1.046 -11.073 1.00 34.45 H new ATOM 0 HA ALA A 71 9.630 -1.690 -11.331 1.00 31.20 H new ATOM 0 HB1 ALA A 71 11.906 -0.849 -10.848 1.00 12.21 H new ATOM 0 HB2 ALA A 71 11.072 0.158 -12.056 1.00 12.21 H new ATOM 0 HB3 ALA A 71 11.216 0.721 -10.374 1.00 12.21 H new ATOM 1103 N LYS A 72 9.745 -0.423 -8.280 1.00 64.11 N ATOM 1104 CA LYS A 72 9.761 -0.781 -6.867 1.00 1.24 C ATOM 1105 C LYS A 72 8.621 -1.738 -6.535 1.00 15.42 C ATOM 1106 O LYS A 72 8.772 -2.633 -5.705 1.00 21.23 O ATOM 1107 CB LYS A 72 9.655 0.476 -6.000 1.00 51.21 C ATOM 1108 CG LYS A 72 10.813 1.442 -6.184 1.00 71.44 C ATOM 1109 CD LYS A 72 10.455 2.839 -5.707 1.00 41.24 C ATOM 1110 CE LYS A 72 11.591 3.464 -4.912 1.00 13.43 C ATOM 1111 NZ LYS A 72 12.791 3.710 -5.758 1.00 23.32 N ATOM 0 H LYS A 72 9.697 0.580 -8.460 1.00 64.11 H new ATOM 0 HA LYS A 72 10.706 -1.282 -6.656 1.00 1.24 H new ATOM 0 HB2 LYS A 72 8.723 0.991 -6.234 1.00 51.21 H new ATOM 0 HB3 LYS A 72 9.602 0.181 -4.952 1.00 51.21 H new ATOM 0 HG2 LYS A 72 11.681 1.080 -5.633 1.00 71.44 H new ATOM 0 HG3 LYS A 72 11.095 1.477 -7.236 1.00 71.44 H new ATOM 0 HD2 LYS A 72 10.220 3.469 -6.565 1.00 41.24 H new ATOM 0 HD3 LYS A 72 9.558 2.795 -5.089 1.00 41.24 H new ATOM 0 HE2 LYS A 72 11.255 4.405 -4.477 1.00 13.43 H new ATOM 0 HE3 LYS A 72 11.859 2.808 -4.084 1.00 13.43 H new ATOM 0 HZ1 LYS A 72 13.571 3.101 -5.439 1.00 23.32 H new ATOM 0 HZ2 LYS A 72 12.566 3.494 -6.750 1.00 23.32 H new ATOM 0 HZ3 LYS A 72 13.075 4.707 -5.677 1.00 23.32 H new ATOM 1125 N GLU A 73 7.480 -1.542 -7.190 1.00 23.03 N ATOM 1126 CA GLU A 73 6.315 -2.389 -6.963 1.00 62.14 C ATOM 1127 C GLU A 73 6.534 -3.783 -7.546 1.00 1.53 C ATOM 1128 O GLU A 73 5.840 -4.733 -7.187 1.00 13.13 O ATOM 1129 CB GLU A 73 5.068 -1.755 -7.584 1.00 21.45 C ATOM 1130 CG GLU A 73 4.253 -0.930 -6.602 1.00 74.33 C ATOM 1131 CD GLU A 73 3.500 -1.788 -5.603 1.00 45.40 C ATOM 1132 OE1 GLU A 73 3.543 -3.029 -5.737 1.00 10.34 O ATOM 1133 OE2 GLU A 73 2.870 -1.218 -4.688 1.00 74.32 O ATOM 0 H GLU A 73 7.338 -0.805 -7.881 1.00 23.03 H new ATOM 0 HA GLU A 73 6.169 -2.483 -5.887 1.00 62.14 H new ATOM 0 HB2 GLU A 73 5.370 -1.120 -8.417 1.00 21.45 H new ATOM 0 HB3 GLU A 73 4.437 -2.542 -7.996 1.00 21.45 H new ATOM 0 HG2 GLU A 73 4.916 -0.251 -6.065 1.00 74.33 H new ATOM 0 HG3 GLU A 73 3.543 -0.313 -7.153 1.00 74.33 H new ATOM 1140 N ALA A 74 7.504 -3.895 -8.447 1.00 42.11 N ATOM 1141 CA ALA A 74 7.816 -5.171 -9.078 1.00 63.14 C ATOM 1142 C ALA A 74 8.905 -5.912 -8.310 1.00 3.00 C ATOM 1143 O ALA A 74 9.009 -7.136 -8.386 1.00 60.54 O ATOM 1144 CB ALA A 74 8.241 -4.955 -10.523 1.00 70.24 C ATOM 0 H ALA A 74 8.087 -3.117 -8.756 1.00 42.11 H new ATOM 0 HA ALA A 74 6.916 -5.785 -9.063 1.00 63.14 H new ATOM 0 HB1 ALA A 74 8.471 -5.916 -10.982 1.00 70.24 H new ATOM 0 HB2 ALA A 74 7.431 -4.475 -11.073 1.00 70.24 H new ATOM 0 HB3 ALA A 74 9.126 -4.319 -10.551 1.00 70.24 H new ATOM 1150 N TYR A 75 9.715 -5.162 -7.571 1.00 23.43 N ATOM 1151 CA TYR A 75 10.799 -5.748 -6.791 1.00 30.33 C ATOM 1152 C TYR A 75 10.252 -6.540 -5.607 1.00 11.44 C ATOM 1153 O TYR A 75 10.843 -7.533 -5.182 1.00 54.23 O ATOM 1154 CB TYR A 75 11.747 -4.655 -6.294 1.00 34.21 C ATOM 1155 CG TYR A 75 13.153 -5.145 -6.035 1.00 24.21 C ATOM 1156 CD1 TYR A 75 13.423 -6.026 -4.995 1.00 61.31 C ATOM 1157 CD2 TYR A 75 14.213 -4.728 -6.831 1.00 51.41 C ATOM 1158 CE1 TYR A 75 14.707 -6.476 -4.755 1.00 11.34 C ATOM 1159 CE2 TYR A 75 15.500 -5.173 -6.599 1.00 32.12 C ATOM 1160 CZ TYR A 75 15.742 -6.047 -5.559 1.00 52.42 C ATOM 1161 OH TYR A 75 17.022 -6.493 -5.324 1.00 31.13 O ATOM 0 H TYR A 75 9.642 -4.147 -7.496 1.00 23.43 H new ATOM 0 HA TYR A 75 11.350 -6.431 -7.438 1.00 30.33 H new ATOM 0 HB2 TYR A 75 11.781 -3.853 -7.031 1.00 34.21 H new ATOM 0 HB3 TYR A 75 11.345 -4.227 -5.375 1.00 34.21 H new ATOM 0 HD1 TYR A 75 12.615 -6.365 -4.363 1.00 61.31 H new ATOM 0 HD2 TYR A 75 14.027 -4.044 -7.646 1.00 51.41 H new ATOM 0 HE1 TYR A 75 14.899 -7.160 -3.942 1.00 11.34 H new ATOM 0 HE2 TYR A 75 16.312 -4.839 -7.228 1.00 32.12 H new ATOM 0 HH TYR A 75 17.337 -7.005 -6.098 1.00 31.13 H new ATOM 1171 N VAL A 76 9.118 -6.092 -5.077 1.00 53.24 N ATOM 1172 CA VAL A 76 8.488 -6.758 -3.943 1.00 50.53 C ATOM 1173 C VAL A 76 7.724 -7.999 -4.390 1.00 11.12 C ATOM 1174 O VAL A 76 7.711 -9.017 -3.697 1.00 10.51 O ATOM 1175 CB VAL A 76 7.523 -5.813 -3.203 1.00 12.30 C ATOM 1176 CG1 VAL A 76 6.821 -6.546 -2.070 1.00 71.44 C ATOM 1177 CG2 VAL A 76 8.268 -4.594 -2.679 1.00 30.30 C ATOM 0 H VAL A 76 8.617 -5.270 -5.415 1.00 53.24 H new ATOM 0 HA VAL A 76 9.288 -7.053 -3.264 1.00 50.53 H new ATOM 0 HB VAL A 76 6.765 -5.472 -3.908 1.00 12.30 H new ATOM 0 HG11 VAL A 76 6.143 -5.862 -1.559 1.00 71.44 H new ATOM 0 HG12 VAL A 76 6.254 -7.384 -2.475 1.00 71.44 H new ATOM 0 HG13 VAL A 76 7.562 -6.918 -1.363 1.00 71.44 H new ATOM 0 HG21 VAL A 76 7.571 -3.937 -2.159 1.00 30.30 H new ATOM 0 HG22 VAL A 76 9.049 -4.914 -1.989 1.00 30.30 H new ATOM 0 HG23 VAL A 76 8.719 -4.057 -3.513 1.00 30.30 H new ATOM 1187 N LYS A 77 7.087 -7.909 -5.553 1.00 5.34 N ATOM 1188 CA LYS A 77 6.321 -9.025 -6.095 1.00 4.43 C ATOM 1189 C LYS A 77 7.245 -10.069 -6.714 1.00 50.43 C ATOM 1190 O LYS A 77 7.075 -11.269 -6.498 1.00 73.35 O ATOM 1191 CB LYS A 77 5.324 -8.524 -7.142 1.00 63.43 C ATOM 1192 CG LYS A 77 4.302 -7.546 -6.590 1.00 74.45 C ATOM 1193 CD LYS A 77 3.082 -8.266 -6.039 1.00 63.42 C ATOM 1194 CE LYS A 77 2.043 -8.511 -7.122 1.00 73.11 C ATOM 1195 NZ LYS A 77 2.340 -9.740 -7.909 1.00 40.11 N ATOM 0 H LYS A 77 7.086 -7.074 -6.139 1.00 5.34 H new ATOM 0 HA LYS A 77 5.774 -9.491 -5.275 1.00 4.43 H new ATOM 0 HB2 LYS A 77 5.872 -8.045 -7.953 1.00 63.43 H new ATOM 0 HB3 LYS A 77 4.801 -9.378 -7.572 1.00 63.43 H new ATOM 0 HG2 LYS A 77 4.759 -6.947 -5.802 1.00 74.45 H new ATOM 0 HG3 LYS A 77 3.995 -6.857 -7.377 1.00 74.45 H new ATOM 0 HD2 LYS A 77 3.386 -9.218 -5.603 1.00 63.42 H new ATOM 0 HD3 LYS A 77 2.641 -7.674 -5.237 1.00 63.42 H new ATOM 0 HE2 LYS A 77 1.057 -8.602 -6.666 1.00 73.11 H new ATOM 0 HE3 LYS A 77 2.007 -7.651 -7.791 1.00 73.11 H new ATOM 0 HZ1 LYS A 77 1.453 -10.139 -8.277 1.00 40.11 H new ATOM 0 HZ2 LYS A 77 2.968 -9.501 -8.703 1.00 40.11 H new ATOM 0 HZ3 LYS A 77 2.807 -10.440 -7.297 1.00 40.11 H new ATOM 1209 N LEU A 78 8.223 -9.604 -7.483 1.00 65.14 N ATOM 1210 CA LEU A 78 9.176 -10.498 -8.133 1.00 73.12 C ATOM 1211 C LEU A 78 10.029 -11.228 -7.101 1.00 3.21 C ATOM 1212 O LEU A 78 10.164 -12.451 -7.144 1.00 62.43 O ATOM 1213 CB LEU A 78 10.073 -9.711 -9.089 1.00 45.14 C ATOM 1214 CG LEU A 78 10.979 -10.543 -9.998 1.00 73.13 C ATOM 1215 CD1 LEU A 78 12.191 -11.045 -9.230 1.00 2.45 C ATOM 1216 CD2 LEU A 78 10.206 -11.709 -10.598 1.00 52.42 C ATOM 0 H LEU A 78 8.377 -8.614 -7.672 1.00 65.14 H new ATOM 0 HA LEU A 78 8.613 -11.239 -8.701 1.00 73.12 H new ATOM 0 HB2 LEU A 78 9.439 -9.084 -9.717 1.00 45.14 H new ATOM 0 HB3 LEU A 78 10.700 -9.042 -8.499 1.00 45.14 H new ATOM 0 HG LEU A 78 11.328 -9.906 -10.811 1.00 73.13 H new ATOM 0 HD11 LEU A 78 12.823 -11.635 -9.893 1.00 2.45 H new ATOM 0 HD12 LEU A 78 12.758 -10.195 -8.849 1.00 2.45 H new ATOM 0 HD13 LEU A 78 11.862 -11.665 -8.396 1.00 2.45 H new ATOM 0 HD21 LEU A 78 10.866 -12.290 -11.242 1.00 52.42 H new ATOM 0 HD22 LEU A 78 9.828 -12.345 -9.798 1.00 52.42 H new ATOM 0 HD23 LEU A 78 9.370 -11.328 -11.185 1.00 52.42 H new ATOM 1228 N LEU A 79 10.602 -10.470 -6.172 1.00 71.03 N ATOM 1229 CA LEU A 79 11.441 -11.045 -5.126 1.00 40.44 C ATOM 1230 C LEU A 79 10.717 -12.180 -4.410 1.00 1.12 C ATOM 1231 O LEU A 79 11.348 -13.078 -3.852 1.00 63.04 O ATOM 1232 CB LEU A 79 11.845 -9.966 -4.119 1.00 61.35 C ATOM 1233 CG LEU A 79 12.689 -10.437 -2.934 1.00 72.02 C ATOM 1234 CD1 LEU A 79 13.856 -11.286 -3.414 1.00 0.24 C ATOM 1235 CD2 LEU A 79 13.188 -9.246 -2.129 1.00 21.43 C ATOM 0 H LEU A 79 10.501 -9.456 -6.122 1.00 71.03 H new ATOM 0 HA LEU A 79 12.338 -11.450 -5.595 1.00 40.44 H new ATOM 0 HB2 LEU A 79 12.399 -9.192 -4.649 1.00 61.35 H new ATOM 0 HB3 LEU A 79 10.939 -9.501 -3.732 1.00 61.35 H new ATOM 0 HG LEU A 79 12.063 -11.051 -2.287 1.00 72.02 H new ATOM 0 HD11 LEU A 79 14.445 -11.612 -2.557 1.00 0.24 H new ATOM 0 HD12 LEU A 79 13.477 -12.158 -3.947 1.00 0.24 H new ATOM 0 HD13 LEU A 79 14.484 -10.697 -4.083 1.00 0.24 H new ATOM 0 HD21 LEU A 79 13.787 -9.599 -1.290 1.00 21.43 H new ATOM 0 HD22 LEU A 79 13.798 -8.606 -2.766 1.00 21.43 H new ATOM 0 HD23 LEU A 79 12.337 -8.678 -1.754 1.00 21.43 H new ATOM 1247 N ASP A 80 9.390 -12.134 -4.430 1.00 74.24 N ATOM 1248 CA ASP A 80 8.579 -13.161 -3.785 1.00 41.35 C ATOM 1249 C ASP A 80 8.865 -14.534 -4.384 1.00 72.43 C ATOM 1250 O ASP A 80 8.727 -15.558 -3.713 1.00 2.30 O ATOM 1251 CB ASP A 80 7.092 -12.829 -3.925 1.00 25.13 C ATOM 1252 CG ASP A 80 6.217 -13.729 -3.076 1.00 35.42 C ATOM 1253 OD1 ASP A 80 6.770 -14.511 -2.274 1.00 41.34 O ATOM 1254 OD2 ASP A 80 4.977 -13.653 -3.213 1.00 64.34 O ATOM 0 H ASP A 80 8.852 -11.397 -4.886 1.00 74.24 H new ATOM 0 HA ASP A 80 8.840 -13.185 -2.727 1.00 41.35 H new ATOM 0 HB2 ASP A 80 6.926 -11.790 -3.639 1.00 25.13 H new ATOM 0 HB3 ASP A 80 6.798 -12.923 -4.971 1.00 25.13 H new ATOM 1259 N THR A 81 9.263 -14.551 -5.653 1.00 13.53 N ATOM 1260 CA THR A 81 9.565 -15.798 -6.343 1.00 45.20 C ATOM 1261 C THR A 81 11.001 -16.238 -6.078 1.00 75.51 C ATOM 1262 O THR A 81 11.341 -17.411 -6.241 1.00 31.02 O ATOM 1263 CB THR A 81 9.354 -15.664 -7.863 1.00 33.51 C ATOM 1264 OG1 THR A 81 9.162 -16.958 -8.446 1.00 73.11 O ATOM 1265 CG2 THR A 81 10.544 -14.979 -8.517 1.00 60.30 C ATOM 0 H THR A 81 9.383 -13.714 -6.223 1.00 13.53 H new ATOM 0 HA THR A 81 8.879 -16.550 -5.953 1.00 45.20 H new ATOM 0 HB THR A 81 8.467 -15.054 -8.032 1.00 33.51 H new ATOM 0 HG1 THR A 81 9.027 -16.865 -9.412 1.00 73.11 H new ATOM 0 HG21 THR A 81 10.371 -14.896 -9.590 1.00 60.30 H new ATOM 0 HG22 THR A 81 10.670 -13.983 -8.092 1.00 60.30 H new ATOM 0 HG23 THR A 81 11.445 -15.566 -8.339 1.00 60.30 H new ATOM 1273 N LEU A 82 11.839 -15.293 -5.668 1.00 53.35 N ATOM 1274 CA LEU A 82 13.239 -15.584 -5.380 1.00 13.13 C ATOM 1275 C LEU A 82 13.420 -15.997 -3.923 1.00 34.14 C ATOM 1276 O LEU A 82 13.893 -17.096 -3.633 1.00 13.52 O ATOM 1277 CB LEU A 82 14.108 -14.363 -5.687 1.00 72.22 C ATOM 1278 CG LEU A 82 13.771 -13.606 -6.972 1.00 15.42 C ATOM 1279 CD1 LEU A 82 14.381 -12.213 -6.946 1.00 53.20 C ATOM 1280 CD2 LEU A 82 14.254 -14.379 -8.190 1.00 31.22 C ATOM 0 H LEU A 82 11.574 -14.318 -5.527 1.00 53.35 H new ATOM 0 HA LEU A 82 13.550 -16.413 -6.015 1.00 13.13 H new ATOM 0 HB2 LEU A 82 14.033 -13.669 -4.850 1.00 72.22 H new ATOM 0 HB3 LEU A 82 15.148 -14.686 -5.741 1.00 72.22 H new ATOM 0 HG LEU A 82 12.688 -13.505 -7.038 1.00 15.42 H new ATOM 0 HD11 LEU A 82 14.131 -11.689 -7.868 1.00 53.20 H new ATOM 0 HD12 LEU A 82 13.986 -11.658 -6.095 1.00 53.20 H new ATOM 0 HD13 LEU A 82 15.464 -12.292 -6.856 1.00 53.20 H new ATOM 0 HD21 LEU A 82 14.005 -13.825 -9.095 1.00 31.22 H new ATOM 0 HD22 LEU A 82 15.334 -14.512 -8.132 1.00 31.22 H new ATOM 0 HD23 LEU A 82 13.769 -15.355 -8.217 1.00 31.22 H new ATOM 1292 N ALA A 83 13.038 -15.110 -3.010 1.00 32.04 N ATOM 1293 CA ALA A 83 13.154 -15.384 -1.583 1.00 32.23 C ATOM 1294 C ALA A 83 11.938 -14.865 -0.823 1.00 73.12 C ATOM 1295 O ALA A 83 11.935 -13.754 -0.292 1.00 21.42 O ATOM 1296 CB ALA A 83 14.428 -14.765 -1.028 1.00 64.33 C ATOM 0 H ALA A 83 12.645 -14.195 -3.233 1.00 32.04 H new ATOM 0 HA ALA A 83 13.200 -16.465 -1.449 1.00 32.23 H new ATOM 0 HB1 ALA A 83 14.501 -14.978 0.039 1.00 64.33 H new ATOM 0 HB2 ALA A 83 15.291 -15.187 -1.542 1.00 64.33 H new ATOM 0 HB3 ALA A 83 14.405 -13.686 -1.182 1.00 64.33 H new ATOM 1302 N PRO A 84 10.878 -15.685 -0.770 1.00 32.41 N ATOM 1303 CA PRO A 84 9.635 -15.330 -0.078 1.00 5.42 C ATOM 1304 C PRO A 84 9.806 -15.292 1.437 1.00 61.10 C ATOM 1305 O PRO A 84 8.892 -14.905 2.165 1.00 40.33 O ATOM 1306 CB PRO A 84 8.672 -16.449 -0.480 1.00 23.41 C ATOM 1307 CG PRO A 84 9.552 -17.608 -0.802 1.00 53.24 C ATOM 1308 CD PRO A 84 10.811 -17.024 -1.381 1.00 12.42 C ATOM 0 HA PRO A 84 9.288 -14.333 -0.350 1.00 5.42 H new ATOM 0 HB2 PRO A 84 7.983 -16.688 0.330 1.00 23.41 H new ATOM 0 HB3 PRO A 84 8.067 -16.161 -1.339 1.00 23.41 H new ATOM 0 HG2 PRO A 84 9.768 -18.194 0.091 1.00 53.24 H new ATOM 0 HG3 PRO A 84 9.070 -18.278 -1.513 1.00 53.24 H new ATOM 0 HD2 PRO A 84 11.685 -17.625 -1.130 1.00 12.42 H new ATOM 0 HD3 PRO A 84 10.765 -16.968 -2.469 1.00 12.42 H new ATOM 1316 N SER A 85 10.982 -15.697 1.906 1.00 43.34 N ATOM 1317 CA SER A 85 11.271 -15.712 3.335 1.00 63.32 C ATOM 1318 C SER A 85 11.426 -14.293 3.873 1.00 23.23 C ATOM 1319 O SER A 85 11.510 -14.083 5.083 1.00 11.42 O ATOM 1320 CB SER A 85 12.543 -16.516 3.611 1.00 63.43 C ATOM 1321 OG SER A 85 12.525 -17.753 2.919 1.00 42.24 O ATOM 0 H SER A 85 11.750 -16.019 1.317 1.00 43.34 H new ATOM 0 HA SER A 85 10.432 -16.186 3.845 1.00 63.32 H new ATOM 0 HB2 SER A 85 13.416 -15.938 3.306 1.00 63.43 H new ATOM 0 HB3 SER A 85 12.638 -16.696 4.682 1.00 63.43 H new ATOM 0 HG SER A 85 13.349 -18.247 3.111 1.00 42.24 H new ATOM 1327 N TRP A 86 11.464 -13.324 2.966 1.00 72.20 N ATOM 1328 CA TRP A 86 11.609 -11.924 3.349 1.00 71.32 C ATOM 1329 C TRP A 86 10.252 -11.299 3.652 1.00 74.32 C ATOM 1330 O TRP A 86 10.157 -10.337 4.414 1.00 64.02 O ATOM 1331 CB TRP A 86 12.309 -11.140 2.237 1.00 34.24 C ATOM 1332 CG TRP A 86 11.358 -10.534 1.249 1.00 4.15 C ATOM 1333 CD1 TRP A 86 10.521 -11.201 0.402 1.00 62.43 C ATOM 1334 CD2 TRP A 86 11.150 -9.138 1.006 1.00 21.51 C ATOM 1335 NE1 TRP A 86 9.805 -10.305 -0.354 1.00 51.21 N ATOM 1336 CE2 TRP A 86 10.172 -9.033 -0.002 1.00 14.12 C ATOM 1337 CE3 TRP A 86 11.693 -7.968 1.543 1.00 60.13 C ATOM 1338 CZ2 TRP A 86 9.728 -7.804 -0.482 1.00 41.24 C ATOM 1339 CZ3 TRP A 86 11.252 -6.749 1.064 1.00 10.15 C ATOM 1340 CH2 TRP A 86 10.277 -6.674 0.061 1.00 71.11 C ATOM 0 H TRP A 86 11.396 -13.482 1.960 1.00 72.20 H new ATOM 0 HA TRP A 86 12.217 -11.881 4.253 1.00 71.32 H new ATOM 0 HB2 TRP A 86 12.911 -10.349 2.684 1.00 34.24 H new ATOM 0 HB3 TRP A 86 12.995 -11.804 1.710 1.00 34.24 H new ATOM 0 HD1 TRP A 86 10.434 -12.275 0.336 1.00 62.43 H new ATOM 0 HE1 TRP A 86 9.112 -10.547 -1.063 1.00 51.21 H new ATOM 0 HE3 TRP A 86 12.444 -8.015 2.318 1.00 60.13 H new ATOM 0 HZ2 TRP A 86 8.977 -7.744 -1.256 1.00 41.24 H new ATOM 0 HZ3 TRP A 86 11.666 -5.838 1.470 1.00 10.15 H new ATOM 0 HH2 TRP A 86 9.952 -5.706 -0.291 1.00 71.11 H new ATOM 1351 N ARG A 87 9.203 -11.852 3.051 1.00 70.20 N ATOM 1352 CA ARG A 87 7.851 -11.347 3.257 1.00 72.44 C ATOM 1353 C ARG A 87 7.126 -12.156 4.328 1.00 12.05 C ATOM 1354 O ARG A 87 6.242 -11.644 5.015 1.00 45.13 O ATOM 1355 CB ARG A 87 7.062 -11.394 1.947 1.00 54.42 C ATOM 1356 CG ARG A 87 6.948 -12.788 1.353 1.00 31.22 C ATOM 1357 CD ARG A 87 5.862 -12.854 0.291 1.00 61.45 C ATOM 1358 NE ARG A 87 5.966 -11.757 -0.667 1.00 52.41 N ATOM 1359 CZ ARG A 87 4.958 -11.349 -1.430 1.00 35.11 C ATOM 1360 NH1 ARG A 87 3.776 -11.945 -1.347 1.00 62.31 N ATOM 1361 NH2 ARG A 87 5.130 -10.343 -2.277 1.00 52.25 N ATOM 0 H ARG A 87 9.264 -12.649 2.418 1.00 70.20 H new ATOM 0 HA ARG A 87 7.923 -10.313 3.594 1.00 72.44 H new ATOM 0 HB2 ARG A 87 6.061 -11.000 2.122 1.00 54.42 H new ATOM 0 HB3 ARG A 87 7.541 -10.737 1.221 1.00 54.42 H new ATOM 0 HG2 ARG A 87 7.904 -13.078 0.916 1.00 31.22 H new ATOM 0 HG3 ARG A 87 6.729 -13.505 2.144 1.00 31.22 H new ATOM 0 HD2 ARG A 87 5.930 -13.805 -0.238 1.00 61.45 H new ATOM 0 HD3 ARG A 87 4.884 -12.825 0.771 1.00 61.45 H new ATOM 0 HE ARG A 87 6.862 -11.278 -0.755 1.00 52.41 H new ATOM 0 HH11 ARG A 87 3.639 -12.718 -0.696 1.00 62.31 H new ATOM 0 HH12 ARG A 87 3.004 -11.630 -1.934 1.00 62.31 H new ATOM 0 HH21 ARG A 87 6.037 -9.881 -2.343 1.00 52.25 H new ATOM 0 HH22 ARG A 87 4.355 -10.031 -2.862 1.00 52.25 H new ATOM 1375 N ASN A 88 7.506 -13.422 4.465 1.00 33.24 N ATOM 1376 CA ASN A 88 6.891 -14.302 5.453 1.00 61.12 C ATOM 1377 C ASN A 88 7.246 -13.861 6.870 1.00 74.33 C ATOM 1378 O ASN A 88 8.388 -14.003 7.307 1.00 55.35 O ATOM 1379 CB ASN A 88 7.341 -15.747 5.229 1.00 73.33 C ATOM 1380 CG ASN A 88 6.466 -16.476 4.227 1.00 31.21 C ATOM 1381 OD1 ASN A 88 5.321 -16.821 4.521 1.00 2.21 O ATOM 1382 ND2 ASN A 88 7.003 -16.715 3.036 1.00 12.22 N ATOM 0 H ASN A 88 8.236 -13.862 3.905 1.00 33.24 H new ATOM 0 HA ASN A 88 5.809 -14.242 5.333 1.00 61.12 H new ATOM 0 HB2 ASN A 88 8.373 -15.753 4.878 1.00 73.33 H new ATOM 0 HB3 ASN A 88 7.324 -16.281 6.179 1.00 73.33 H new ATOM 0 HD21 ASN A 88 6.463 -17.203 2.321 1.00 12.22 H new ATOM 0 HD22 ASN A 88 7.956 -16.411 2.836 1.00 12.22 H new TER 1389 ASN A 88