USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 19 LYS NZ :NH3+ 158:sc= 0.759 (180deg=-1.38!) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.742 USER MOD Set 2.1: B 44 THR OG1 : rot 148:sc= 1.24 USER MOD Set 2.2: B 47 SER OG : rot -80:sc= 0.671! USER MOD Set 3.1: A 44 THR OG1 : rot 149:sc= 1.23 USER MOD Set 3.2: A 47 SER OG : rot -76:sc= 0.365! USER MOD Set 4.1: A 19 LYS NZ :NH3+ 163:sc= 0.596 (180deg=-1.36!) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0.883 USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.163 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 167:sc= -0.509 USER MOD Single : A 14 SER OG : rot -107:sc= 1.07 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 62:sc= 0.0933! USER MOD Single : A 23 ASN : amide:sc= -4.01! K(o=-4!,f=-0.14) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 39:sc= -1.21 USER MOD Single : A 32 SER OG : rot -130:sc= -0.0894 USER MOD Single : A 33 SER OG : rot 180:sc= -0.141 USER MOD Single : A 36 SER OG : rot -59:sc= 1.09 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 43 GLN : amide:sc= -3.43! K(o=-3.4!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -5.51! (180deg=-6.99!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.65! K(o=-1.6!,f=-0.009) USER MOD Single : A 55 SER OG : rot 88:sc= 0.277 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 60 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.048) USER MOD Single : B 1 ALA N :NH3+ -106:sc= 0.139 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 169:sc= -0.507 USER MOD Single : B 14 SER OG : rot -109:sc= 1.06 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 60:sc= 0.286! USER MOD Single : B 23 ASN : amide:sc= -4.06! K(o=-4.1!,f=-0.062) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 26:sc= -1.22 USER MOD Single : B 32 SER OG : rot -130:sc= -0.0844 USER MOD Single : B 33 SER OG : rot 180:sc= -0.133 USER MOD Single : B 36 SER OG : rot -57:sc= 1.2 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 43 GLN : amide:sc= -3.41! K(o=-3.4!,f=-1.5) USER MOD Single : B 45 LYS NZ :NH3+ 160:sc= -5.52! (180deg=-6.92!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.00047) USER MOD Single : B 55 SER OG : rot 88:sc= 0.283 USER MOD Single : B 57 SER OG : rot 180:sc= -0.054 USER MOD Single : B 60 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.767 16.190 -13.531 1.00 3.98 N ATOM 2 CA ALA A 1 -9.981 15.920 -12.709 1.00 3.41 C ATOM 3 C ALA A 1 -9.575 15.891 -11.221 1.00 2.89 C ATOM 4 O ALA A 1 -8.405 15.772 -10.916 1.00 2.91 O ATOM 5 CB ALA A 1 -10.583 14.564 -13.142 1.00 3.83 C ATOM 0 H1 ALA A 1 -8.789 17.173 -13.870 1.00 3.98 H new ATOM 0 H2 ALA A 1 -7.916 16.043 -12.952 1.00 3.98 H new ATOM 0 H3 ALA A 1 -8.748 15.543 -14.345 1.00 3.98 H new ATOM 0 HA ALA A 1 -10.730 16.698 -12.854 1.00 3.41 H new ATOM 0 HB1 ALA A 1 -11.472 14.354 -12.548 1.00 3.83 H new ATOM 0 HB2 ALA A 1 -10.853 14.606 -14.197 1.00 3.83 H new ATOM 0 HB3 ALA A 1 -9.849 13.774 -12.987 1.00 3.83 H new ATOM 13 N PRO A 2 -10.545 15.994 -10.333 1.00 2.53 N ATOM 14 CA PRO A 2 -10.263 15.970 -8.885 1.00 2.14 C ATOM 15 C PRO A 2 -9.514 14.679 -8.522 1.00 1.85 C ATOM 16 O PRO A 2 -9.510 13.721 -9.270 1.00 1.89 O ATOM 17 CB PRO A 2 -11.655 16.030 -8.207 1.00 1.96 C ATOM 18 CG PRO A 2 -12.724 16.060 -9.339 1.00 2.21 C ATOM 19 CD PRO A 2 -11.974 16.138 -10.687 1.00 2.60 C ATOM 0 HA PRO A 2 -9.630 16.796 -8.561 1.00 2.14 H new ATOM 0 HB2 PRO A 2 -11.805 15.165 -7.561 1.00 1.96 H new ATOM 0 HB3 PRO A 2 -11.737 16.916 -7.578 1.00 1.96 H new ATOM 0 HG2 PRO A 2 -13.349 15.168 -9.299 1.00 2.21 H new ATOM 0 HG3 PRO A 2 -13.385 16.918 -9.219 1.00 2.21 H new ATOM 0 HD2 PRO A 2 -12.295 15.347 -11.365 1.00 2.60 H new ATOM 0 HD3 PRO A 2 -12.163 17.086 -11.191 1.00 2.60 H new ATOM 27 N MET A 3 -8.882 14.649 -7.380 1.00 1.69 N ATOM 28 CA MET A 3 -8.138 13.424 -6.972 1.00 1.53 C ATOM 29 C MET A 3 -9.123 12.390 -6.421 1.00 1.17 C ATOM 30 O MET A 3 -10.241 12.711 -6.068 1.00 0.99 O ATOM 31 CB MET A 3 -7.120 13.785 -5.888 1.00 1.63 C ATOM 32 CG MET A 3 -6.287 14.985 -6.345 1.00 2.15 C ATOM 33 SD MET A 3 -5.361 14.543 -7.836 1.00 2.54 S ATOM 34 CE MET A 3 -4.581 16.155 -8.104 1.00 3.59 C ATOM 0 H MET A 3 -8.849 15.420 -6.713 1.00 1.69 H new ATOM 0 HA MET A 3 -7.619 13.008 -7.836 1.00 1.53 H new ATOM 0 HB2 MET A 3 -7.634 14.020 -4.956 1.00 1.63 H new ATOM 0 HB3 MET A 3 -6.470 12.933 -5.687 1.00 1.63 H new ATOM 0 HG2 MET A 3 -6.937 15.837 -6.546 1.00 2.15 H new ATOM 0 HG3 MET A 3 -5.601 15.288 -5.554 1.00 2.15 H new ATOM 0 HE1 MET A 3 -3.950 16.111 -8.992 1.00 3.59 H new ATOM 0 HE2 MET A 3 -5.351 16.913 -8.244 1.00 3.59 H new ATOM 0 HE3 MET A 3 -3.971 16.413 -7.238 1.00 3.59 H new ATOM 44 N GLY A 4 -8.719 11.151 -6.344 1.00 1.14 N ATOM 45 CA GLY A 4 -9.635 10.102 -5.814 1.00 0.89 C ATOM 46 C GLY A 4 -10.171 10.541 -4.451 1.00 0.62 C ATOM 47 O GLY A 4 -9.898 11.631 -3.989 1.00 0.70 O ATOM 0 H GLY A 4 -7.796 10.821 -6.625 1.00 1.14 H new ATOM 0 HA2 GLY A 4 -10.460 9.940 -6.507 1.00 0.89 H new ATOM 0 HA3 GLY A 4 -9.106 9.154 -5.721 1.00 0.89 H new ATOM 51 N SER A 5 -10.941 9.706 -3.801 1.00 0.44 N ATOM 52 CA SER A 5 -11.498 10.086 -2.468 1.00 0.30 C ATOM 53 C SER A 5 -10.505 9.703 -1.358 1.00 0.27 C ATOM 54 O SER A 5 -9.918 10.556 -0.722 1.00 0.30 O ATOM 55 CB SER A 5 -12.852 9.381 -2.267 1.00 0.49 C ATOM 56 OG SER A 5 -13.863 10.365 -2.092 1.00 1.52 O ATOM 0 H SER A 5 -11.207 8.780 -4.135 1.00 0.44 H new ATOM 0 HA SER A 5 -11.654 11.164 -2.423 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.082 8.754 -3.128 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.810 8.725 -1.397 1.00 0.49 H new ATOM 0 HG SER A 5 -14.729 9.925 -1.965 1.00 1.52 H new ATOM 62 N ASP A 6 -10.313 8.431 -1.115 1.00 0.24 N ATOM 63 CA ASP A 6 -9.358 8.010 -0.041 1.00 0.23 C ATOM 64 C ASP A 6 -8.866 6.580 -0.313 1.00 0.21 C ATOM 65 O ASP A 6 -9.223 5.669 0.409 1.00 0.20 O ATOM 66 CB ASP A 6 -10.062 8.042 1.324 1.00 0.25 C ATOM 67 CG ASP A 6 -10.865 9.337 1.460 1.00 1.26 C ATOM 68 OD1 ASP A 6 -11.937 9.410 0.881 1.00 2.03 O ATOM 69 OD2 ASP A 6 -10.396 10.234 2.143 1.00 2.00 O ATOM 0 H ASP A 6 -10.773 7.668 -1.611 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.511 8.696 -0.035 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.723 7.181 1.423 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.326 7.973 2.125 1.00 0.25 H new ATOM 74 N PRO A 7 -8.065 6.414 -1.342 1.00 0.22 N ATOM 75 CA PRO A 7 -7.535 5.082 -1.697 1.00 0.22 C ATOM 76 C PRO A 7 -6.602 4.574 -0.573 1.00 0.20 C ATOM 77 O PRO A 7 -6.250 5.329 0.310 1.00 0.20 O ATOM 78 CB PRO A 7 -6.762 5.305 -3.021 1.00 0.25 C ATOM 79 CG PRO A 7 -6.837 6.824 -3.358 1.00 0.27 C ATOM 80 CD PRO A 7 -7.632 7.515 -2.228 1.00 0.26 C ATOM 0 HA PRO A 7 -8.315 4.330 -1.815 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.725 4.986 -2.918 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.199 4.712 -3.824 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.836 7.249 -3.437 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.326 6.979 -4.320 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.013 8.234 -1.692 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.487 8.063 -2.624 1.00 0.26 H new ATOM 88 N PRO A 8 -6.223 3.310 -0.637 1.00 0.21 N ATOM 89 CA PRO A 8 -5.328 2.715 0.379 1.00 0.22 C ATOM 90 C PRO A 8 -3.967 3.430 0.364 1.00 0.22 C ATOM 91 O PRO A 8 -3.846 4.546 -0.098 1.00 0.22 O ATOM 92 CB PRO A 8 -5.186 1.230 -0.036 1.00 0.24 C ATOM 93 CG PRO A 8 -5.915 1.056 -1.399 1.00 0.26 C ATOM 94 CD PRO A 8 -6.650 2.380 -1.706 1.00 0.24 C ATOM 0 HA PRO A 8 -5.718 2.811 1.392 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.135 0.955 -0.125 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.623 0.577 0.719 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.201 0.822 -2.188 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.622 0.227 -1.353 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.382 2.761 -2.691 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.731 2.242 -1.701 1.00 0.24 H new ATOM 102 N THR A 9 -2.945 2.789 0.870 1.00 0.23 N ATOM 103 CA THR A 9 -1.595 3.425 0.888 1.00 0.24 C ATOM 104 C THR A 9 -0.516 2.343 0.906 1.00 0.24 C ATOM 105 O THR A 9 -0.519 1.457 1.739 1.00 0.25 O ATOM 106 CB THR A 9 -1.461 4.293 2.139 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.606 5.125 2.260 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.205 5.159 2.030 1.00 0.29 C ATOM 0 H THR A 9 -2.988 1.852 1.271 1.00 0.23 H new ATOM 0 HA THR A 9 -1.474 4.042 -0.003 1.00 0.24 H new ATOM 0 HB THR A 9 -1.382 3.654 3.019 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.623 5.530 3.152 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.111 5.777 2.923 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.672 4.518 1.938 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.280 5.800 1.151 1.00 0.29 H new ATOM 116 N ALA A 10 0.408 2.411 -0.009 1.00 0.23 N ATOM 117 CA ALA A 10 1.495 1.396 -0.059 1.00 0.23 C ATOM 118 C ALA A 10 2.427 1.573 1.141 1.00 0.22 C ATOM 119 O ALA A 10 3.478 2.172 1.034 1.00 0.27 O ATOM 120 CB ALA A 10 2.291 1.580 -1.348 1.00 0.23 C ATOM 0 H ALA A 10 0.457 3.131 -0.730 1.00 0.23 H new ATOM 0 HA ALA A 10 1.060 0.397 -0.030 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.090 0.839 -1.391 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.630 1.452 -2.205 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.723 2.581 -1.369 1.00 0.23 H new ATOM 126 N CYS A 11 2.053 1.045 2.278 1.00 0.25 N ATOM 127 CA CYS A 11 2.914 1.162 3.497 1.00 0.25 C ATOM 128 C CYS A 11 3.510 -0.212 3.809 1.00 0.25 C ATOM 129 O CYS A 11 2.833 -1.219 3.745 1.00 0.26 O ATOM 130 CB CYS A 11 2.061 1.631 4.679 1.00 0.25 C ATOM 131 SG CYS A 11 1.144 3.121 4.209 1.00 0.33 S ATOM 0 H CYS A 11 1.181 0.534 2.417 1.00 0.25 H new ATOM 0 HA CYS A 11 3.713 1.883 3.323 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.368 0.844 4.976 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.696 1.839 5.540 1.00 0.25 H new ATOM 136 N CYS A 12 4.771 -0.266 4.139 1.00 0.24 N ATOM 137 CA CYS A 12 5.401 -1.581 4.445 1.00 0.24 C ATOM 138 C CYS A 12 4.878 -2.098 5.786 1.00 0.24 C ATOM 139 O CYS A 12 4.638 -1.338 6.703 1.00 0.27 O ATOM 140 CB CYS A 12 6.922 -1.421 4.520 1.00 0.24 C ATOM 141 SG CYS A 12 7.567 -0.976 2.888 1.00 0.24 S ATOM 0 H CYS A 12 5.391 0.541 4.210 1.00 0.24 H new ATOM 0 HA CYS A 12 5.151 -2.291 3.657 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.181 -0.651 5.247 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.379 -2.350 4.862 1.00 0.24 H new ATOM 146 N PHE A 13 4.707 -3.389 5.907 1.00 0.25 N ATOM 147 CA PHE A 13 4.207 -3.977 7.188 1.00 0.27 C ATOM 148 C PHE A 13 5.390 -4.593 7.937 1.00 0.24 C ATOM 149 O PHE A 13 5.324 -4.858 9.122 1.00 0.26 O ATOM 150 CB PHE A 13 3.177 -5.067 6.877 1.00 0.30 C ATOM 151 CG PHE A 13 3.852 -6.205 6.150 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.156 -6.082 4.781 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.183 -7.386 6.842 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.789 -7.141 4.103 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.817 -8.445 6.165 1.00 0.37 C ATOM 156 CZ PHE A 13 5.121 -8.322 4.796 1.00 0.37 C ATOM 0 H PHE A 13 4.893 -4.067 5.168 1.00 0.25 H new ATOM 0 HA PHE A 13 3.741 -3.204 7.799 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.725 -5.429 7.800 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.372 -4.658 6.266 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.904 -5.175 4.251 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.950 -7.479 7.893 1.00 0.35 H new ATOM 0 HE1 PHE A 13 5.020 -7.048 3.052 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.070 -9.351 6.695 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.609 -9.133 4.277 1.00 0.37 H new ATOM 166 N SER A 14 6.474 -4.817 7.246 1.00 0.21 N ATOM 167 CA SER A 14 7.676 -5.411 7.895 1.00 0.20 C ATOM 168 C SER A 14 8.912 -5.047 7.072 1.00 0.18 C ATOM 169 O SER A 14 8.931 -4.051 6.375 1.00 0.17 O ATOM 170 CB SER A 14 7.528 -6.932 7.952 1.00 0.20 C ATOM 171 OG SER A 14 7.780 -7.477 6.662 1.00 0.25 O ATOM 0 H SER A 14 6.579 -4.612 6.252 1.00 0.21 H new ATOM 0 HA SER A 14 7.779 -5.024 8.909 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.225 -7.350 8.679 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.524 -7.199 8.283 1.00 0.20 H new ATOM 0 HG SER A 14 6.937 -7.783 6.266 1.00 0.25 H new ATOM 177 N TYR A 15 9.945 -5.843 7.138 1.00 0.19 N ATOM 178 CA TYR A 15 11.177 -5.535 6.354 1.00 0.20 C ATOM 179 C TYR A 15 11.939 -6.832 6.078 1.00 0.24 C ATOM 180 O TYR A 15 11.786 -7.813 6.776 1.00 0.29 O ATOM 181 CB TYR A 15 12.072 -4.576 7.152 1.00 0.22 C ATOM 182 CG TYR A 15 11.219 -3.540 7.845 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.804 -2.388 7.150 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.838 -3.729 9.188 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.009 -1.425 7.799 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.043 -2.765 9.836 1.00 0.28 C ATOM 187 CZ TYR A 15 9.627 -1.613 9.141 1.00 0.27 C ATOM 188 OH TYR A 15 8.848 -0.668 9.776 1.00 0.32 O ATOM 0 H TYR A 15 9.990 -6.693 7.700 1.00 0.19 H new ATOM 0 HA TYR A 15 10.898 -5.066 5.410 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.653 -5.133 7.887 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.784 -4.088 6.486 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.095 -2.244 6.120 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.156 -4.613 9.720 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.691 -0.540 7.267 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.752 -2.909 10.866 1.00 0.28 H new ATOM 0 HH TYR A 15 8.674 -0.953 10.698 1.00 0.32 H new ATOM 198 N THR A 16 12.765 -6.842 5.067 1.00 0.22 N ATOM 199 CA THR A 16 13.537 -8.076 4.759 1.00 0.28 C ATOM 200 C THR A 16 14.367 -8.462 5.986 1.00 0.32 C ATOM 201 O THR A 16 14.159 -7.951 7.068 1.00 0.38 O ATOM 202 CB THR A 16 14.450 -7.827 3.551 1.00 0.28 C ATOM 203 OG1 THR A 16 15.344 -8.920 3.395 1.00 0.39 O ATOM 204 CG2 THR A 16 15.249 -6.539 3.755 1.00 0.27 C ATOM 0 H THR A 16 12.937 -6.052 4.445 1.00 0.22 H new ATOM 0 HA THR A 16 12.856 -8.891 4.515 1.00 0.28 H new ATOM 0 HB THR A 16 13.836 -7.728 2.656 1.00 0.28 H new ATOM 0 HG1 THR A 16 14.833 -9.738 3.221 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.894 -6.371 2.893 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.563 -5.699 3.865 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.860 -6.628 4.653 1.00 0.27 H new ATOM 212 N ALA A 17 15.303 -9.359 5.830 1.00 0.36 N ATOM 213 CA ALA A 17 16.149 -9.784 6.986 1.00 0.42 C ATOM 214 C ALA A 17 17.585 -9.965 6.502 1.00 0.45 C ATOM 215 O ALA A 17 18.422 -10.520 7.186 1.00 0.63 O ATOM 216 CB ALA A 17 15.626 -11.113 7.535 1.00 0.50 C ATOM 0 H ALA A 17 15.520 -9.819 4.946 1.00 0.36 H new ATOM 0 HA ALA A 17 16.114 -9.030 7.772 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.241 -11.426 8.379 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.594 -10.990 7.864 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.669 -11.872 6.754 1.00 0.50 H new ATOM 222 N ARG A 18 17.871 -9.491 5.320 1.00 0.47 N ATOM 223 CA ARG A 18 19.248 -9.617 4.759 1.00 0.48 C ATOM 224 C ARG A 18 19.593 -8.334 4.003 1.00 0.41 C ATOM 225 O ARG A 18 18.883 -7.922 3.106 1.00 0.37 O ATOM 226 CB ARG A 18 19.292 -10.808 3.798 1.00 0.53 C ATOM 227 CG ARG A 18 19.392 -12.112 4.599 1.00 0.70 C ATOM 228 CD ARG A 18 18.999 -13.289 3.709 1.00 1.15 C ATOM 229 NE ARG A 18 19.397 -14.567 4.365 1.00 1.96 N ATOM 230 CZ ARG A 18 18.897 -15.697 3.947 1.00 2.64 C ATOM 231 NH1 ARG A 18 18.048 -15.708 2.956 1.00 2.84 N ATOM 232 NH2 ARG A 18 19.246 -16.817 4.521 1.00 3.63 N ATOM 0 H ARG A 18 17.203 -9.017 4.712 1.00 0.47 H new ATOM 0 HA ARG A 18 19.968 -9.774 5.563 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.397 -10.819 3.176 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.146 -10.715 3.127 1.00 0.53 H new ATOM 0 HG2 ARG A 18 20.408 -12.246 4.970 1.00 0.70 H new ATOM 0 HG3 ARG A 18 18.738 -12.067 5.470 1.00 0.70 H new ATOM 0 HD2 ARG A 18 17.924 -13.280 3.530 1.00 1.15 H new ATOM 0 HD3 ARG A 18 19.484 -13.201 2.737 1.00 1.15 H new ATOM 0 HE ARG A 18 20.060 -14.558 5.140 1.00 1.96 H new ATOM 0 HH11 ARG A 18 17.775 -14.833 2.508 1.00 2.84 H new ATOM 0 HH12 ARG A 18 17.657 -16.592 2.629 1.00 2.84 H new ATOM 0 HH21 ARG A 18 19.909 -16.808 5.296 1.00 3.63 H new ATOM 0 HH22 ARG A 18 18.855 -17.701 4.194 1.00 3.63 H new ATOM 246 N LYS A 19 20.672 -7.695 4.356 1.00 0.40 N ATOM 247 CA LYS A 19 21.050 -6.439 3.653 1.00 0.35 C ATOM 248 C LYS A 19 21.332 -6.755 2.182 1.00 0.31 C ATOM 249 O LYS A 19 22.089 -7.649 1.860 1.00 0.33 O ATOM 250 CB LYS A 19 22.294 -5.840 4.319 1.00 0.38 C ATOM 251 CG LYS A 19 22.857 -4.706 3.449 1.00 0.40 C ATOM 252 CD LYS A 19 23.889 -3.890 4.241 1.00 0.62 C ATOM 253 CE LYS A 19 25.230 -4.618 4.266 1.00 0.97 C ATOM 254 NZ LYS A 19 25.700 -4.852 2.871 1.00 1.79 N ATOM 0 H LYS A 19 21.307 -7.987 5.099 1.00 0.40 H new ATOM 0 HA LYS A 19 20.237 -5.716 3.712 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.040 -5.459 5.308 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.050 -6.613 4.459 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.320 -5.121 2.554 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.047 -4.057 3.117 1.00 0.40 H new ATOM 0 HD2 LYS A 19 24.010 -2.906 3.789 1.00 0.62 H new ATOM 0 HD3 LYS A 19 23.534 -3.731 5.259 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.965 -4.028 4.814 1.00 0.97 H new ATOM 0 HE3 LYS A 19 25.129 -5.568 4.790 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 26.715 -5.077 2.880 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 25.173 -5.647 2.456 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 25.540 -3.996 2.303 1.00 1.79 H new ATOM 268 N LEU A 20 20.718 -6.030 1.288 1.00 0.27 N ATOM 269 CA LEU A 20 20.934 -6.289 -0.162 1.00 0.27 C ATOM 270 C LEU A 20 22.333 -5.782 -0.581 1.00 0.27 C ATOM 271 O LEU A 20 22.611 -4.613 -0.400 1.00 0.27 O ATOM 272 CB LEU A 20 19.883 -5.520 -0.967 1.00 0.24 C ATOM 273 CG LEU A 20 18.504 -5.687 -0.326 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.456 -5.032 -1.224 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.180 -7.176 -0.170 1.00 0.27 C ATOM 0 H LEU A 20 20.075 -5.268 1.501 1.00 0.27 H new ATOM 0 HA LEU A 20 20.856 -7.360 -0.351 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.147 -4.463 -1.009 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.862 -5.885 -1.994 1.00 0.24 H new ATOM 0 HG LEU A 20 18.500 -5.216 0.657 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.469 -5.146 -0.775 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.684 -3.972 -1.335 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.466 -5.510 -2.204 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.197 -7.288 0.287 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.181 -7.653 -1.150 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.931 -7.647 0.464 1.00 0.27 H new ATOM 287 N PRO A 21 23.182 -6.629 -1.148 1.00 0.31 N ATOM 288 CA PRO A 21 24.513 -6.170 -1.585 1.00 0.34 C ATOM 289 C PRO A 21 24.354 -5.003 -2.561 1.00 0.30 C ATOM 290 O PRO A 21 23.421 -4.960 -3.336 1.00 0.29 O ATOM 291 CB PRO A 21 25.149 -7.392 -2.288 1.00 0.39 C ATOM 292 CG PRO A 21 24.205 -8.605 -2.052 1.00 0.42 C ATOM 293 CD PRO A 21 22.915 -8.066 -1.395 1.00 0.35 C ATOM 0 HA PRO A 21 25.131 -5.819 -0.759 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.271 -7.202 -3.354 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.142 -7.593 -1.885 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.977 -9.103 -2.995 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.683 -9.344 -1.409 1.00 0.42 H new ATOM 0 HD2 PRO A 21 22.053 -8.201 -2.049 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.696 -8.592 -0.466 1.00 0.35 H new ATOM 301 N ARG A 22 25.262 -4.066 -2.549 1.00 0.31 N ATOM 302 CA ARG A 22 25.153 -2.929 -3.503 1.00 0.30 C ATOM 303 C ARG A 22 24.946 -3.495 -4.910 1.00 0.31 C ATOM 304 O ARG A 22 24.281 -2.908 -5.740 1.00 0.31 O ATOM 305 CB ARG A 22 26.439 -2.101 -3.464 1.00 0.33 C ATOM 306 CG ARG A 22 26.277 -0.863 -4.348 1.00 0.69 C ATOM 307 CD ARG A 22 27.422 0.114 -4.073 1.00 1.24 C ATOM 308 NE ARG A 22 27.201 1.369 -4.845 1.00 1.34 N ATOM 309 CZ ARG A 22 27.875 2.446 -4.546 1.00 2.07 C ATOM 310 NH1 ARG A 22 28.741 2.423 -3.570 1.00 2.89 N ATOM 311 NH2 ARG A 22 27.684 3.545 -5.222 1.00 2.44 N ATOM 0 H ARG A 22 26.068 -4.039 -1.925 1.00 0.31 H new ATOM 0 HA ARG A 22 24.313 -2.290 -3.230 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.661 -1.803 -2.439 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.281 -2.701 -3.811 1.00 0.33 H new ATOM 0 HG2 ARG A 22 26.275 -1.151 -5.399 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.319 -0.383 -4.148 1.00 0.69 H new ATOM 0 HD2 ARG A 22 27.477 0.335 -3.007 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.374 -0.336 -4.355 1.00 1.24 H new ATOM 0 HE ARG A 22 26.523 1.387 -5.607 1.00 1.34 H new ATOM 0 HH11 ARG A 22 28.891 1.564 -3.041 1.00 2.89 H new ATOM 0 HH12 ARG A 22 29.268 3.264 -3.336 1.00 2.89 H new ATOM 0 HH21 ARG A 22 27.007 3.563 -5.985 1.00 2.44 H new ATOM 0 HH22 ARG A 22 28.211 4.386 -4.988 1.00 2.44 H new ATOM 325 N ASN A 23 25.517 -4.641 -5.177 1.00 0.34 N ATOM 326 CA ASN A 23 25.364 -5.266 -6.521 1.00 0.37 C ATOM 327 C ASN A 23 23.944 -5.817 -6.679 1.00 0.37 C ATOM 328 O ASN A 23 23.669 -6.593 -7.573 1.00 0.40 O ATOM 329 CB ASN A 23 26.371 -6.408 -6.671 1.00 0.42 C ATOM 330 CG ASN A 23 27.770 -5.905 -6.311 1.00 1.47 C ATOM 331 OD1 ASN A 23 28.649 -5.863 -7.150 1.00 2.16 O ATOM 332 ND2 ASN A 23 28.018 -5.522 -5.088 1.00 2.38 N ATOM 0 H ASN A 23 26.085 -5.172 -4.517 1.00 0.34 H new ATOM 0 HA ASN A 23 25.546 -4.514 -7.288 1.00 0.37 H new ATOM 0 HB2 ASN A 23 26.094 -7.239 -6.023 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.360 -6.784 -7.694 1.00 0.42 H new ATOM 0 HD21 ASN A 23 28.948 -5.188 -4.837 1.00 2.38 H new ATOM 0 HD22 ASN A 23 27.281 -5.557 -4.383 1.00 2.38 H new ATOM 339 N PHE A 24 23.040 -5.433 -5.813 1.00 0.33 N ATOM 340 CA PHE A 24 21.633 -5.944 -5.906 1.00 0.33 C ATOM 341 C PHE A 24 20.664 -4.793 -5.612 1.00 0.30 C ATOM 342 O PHE A 24 19.576 -4.996 -5.112 1.00 0.28 O ATOM 343 CB PHE A 24 21.445 -7.068 -4.870 1.00 0.33 C ATOM 344 CG PHE A 24 20.285 -7.968 -5.254 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.319 -8.685 -6.469 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.175 -8.100 -4.393 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.247 -9.529 -6.819 1.00 0.41 C ATOM 348 CE2 PHE A 24 18.106 -8.945 -4.748 1.00 0.37 C ATOM 349 CZ PHE A 24 18.142 -9.658 -5.959 1.00 0.41 C ATOM 0 H PHE A 24 23.214 -4.787 -5.043 1.00 0.33 H new ATOM 0 HA PHE A 24 21.435 -6.334 -6.904 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.359 -7.657 -4.796 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.265 -6.635 -3.886 1.00 0.33 H new ATOM 0 HD1 PHE A 24 21.167 -8.587 -7.131 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.145 -7.553 -3.462 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.274 -10.078 -7.749 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.257 -9.046 -4.089 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.321 -10.305 -6.229 1.00 0.41 H new ATOM 359 N VAL A 25 21.058 -3.583 -5.922 1.00 0.30 N ATOM 360 CA VAL A 25 20.173 -2.406 -5.667 1.00 0.28 C ATOM 361 C VAL A 25 20.451 -1.331 -6.722 1.00 0.30 C ATOM 362 O VAL A 25 21.324 -0.501 -6.561 1.00 0.31 O ATOM 363 CB VAL A 25 20.468 -1.838 -4.275 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.492 -0.703 -3.963 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.305 -2.938 -3.224 1.00 0.23 C ATOM 0 H VAL A 25 21.960 -3.359 -6.343 1.00 0.30 H new ATOM 0 HA VAL A 25 19.129 -2.714 -5.720 1.00 0.28 H new ATOM 0 HB VAL A 25 21.490 -1.459 -4.256 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.705 -0.302 -2.972 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.603 0.087 -4.706 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.471 -1.084 -3.988 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.516 -2.531 -2.235 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.284 -3.318 -3.250 1.00 0.23 H new ATOM 0 HG23 VAL A 25 21.000 -3.751 -3.437 1.00 0.23 H new ATOM 375 N VAL A 26 19.716 -1.339 -7.804 1.00 0.33 N ATOM 376 CA VAL A 26 19.936 -0.322 -8.871 1.00 0.36 C ATOM 377 C VAL A 26 19.140 0.941 -8.553 1.00 0.35 C ATOM 378 O VAL A 26 19.336 1.977 -9.156 1.00 0.37 O ATOM 379 CB VAL A 26 19.465 -0.887 -10.211 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.469 -1.923 -10.709 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.099 -1.551 -10.029 1.00 0.61 C ATOM 0 H VAL A 26 18.971 -2.009 -7.993 1.00 0.33 H new ATOM 0 HA VAL A 26 20.997 -0.078 -8.923 1.00 0.36 H new ATOM 0 HB VAL A 26 19.386 -0.079 -10.938 1.00 0.41 H new ATOM 0 HG11 VAL A 26 20.133 -2.326 -11.664 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.444 -1.453 -10.836 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.548 -2.732 -9.982 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.761 -1.955 -10.983 1.00 0.61 H new ATOM 0 HG22 VAL A 26 18.181 -2.359 -9.302 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.380 -0.813 -9.672 1.00 0.61 H new ATOM 391 N ASP A 27 18.236 0.867 -7.617 1.00 0.32 N ATOM 392 CA ASP A 27 17.431 2.073 -7.282 1.00 0.31 C ATOM 393 C ASP A 27 16.630 1.812 -6.011 1.00 0.27 C ATOM 394 O ASP A 27 16.805 0.806 -5.351 1.00 0.25 O ATOM 395 CB ASP A 27 16.467 2.371 -8.434 1.00 0.34 C ATOM 396 CG ASP A 27 15.877 3.772 -8.259 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.609 4.729 -8.447 1.00 1.13 O ATOM 398 OD2 ASP A 27 14.703 3.862 -7.939 1.00 1.09 O ATOM 0 H ASP A 27 18.021 0.031 -7.074 1.00 0.32 H new ATOM 0 HA ASP A 27 18.095 2.924 -7.127 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.991 2.302 -9.387 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.669 1.629 -8.455 1.00 0.34 H new ATOM 403 N TYR A 28 15.747 2.707 -5.660 1.00 0.26 N ATOM 404 CA TYR A 28 14.933 2.501 -4.433 1.00 0.23 C ATOM 405 C TYR A 28 13.629 3.286 -4.538 1.00 0.25 C ATOM 406 O TYR A 28 13.323 3.884 -5.551 1.00 0.29 O ATOM 407 CB TYR A 28 15.719 2.947 -3.194 1.00 0.19 C ATOM 408 CG TYR A 28 15.813 4.460 -3.136 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.524 5.162 -4.128 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.201 5.164 -2.079 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.621 6.565 -4.065 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.298 6.564 -2.014 1.00 0.22 C ATOM 413 CZ TYR A 28 16.009 7.267 -3.007 1.00 0.25 C ATOM 414 OH TYR A 28 16.104 8.642 -2.944 1.00 0.28 O ATOM 0 H TYR A 28 15.556 3.569 -6.170 1.00 0.26 H new ATOM 0 HA TYR A 28 14.702 1.440 -4.336 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.232 2.573 -2.294 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.720 2.516 -3.217 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.995 4.624 -4.937 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.656 4.626 -1.317 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.164 7.103 -4.827 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.828 7.101 -1.203 1.00 0.22 H new ATOM 0 HH TYR A 28 15.625 8.967 -2.153 1.00 0.28 H new ATOM 424 N TYR A 29 12.855 3.265 -3.497 1.00 0.23 N ATOM 425 CA TYR A 29 11.555 3.979 -3.508 1.00 0.25 C ATOM 426 C TYR A 29 11.103 4.178 -2.055 1.00 0.22 C ATOM 427 O TYR A 29 11.203 3.282 -1.246 1.00 0.23 O ATOM 428 CB TYR A 29 10.547 3.122 -4.294 1.00 0.29 C ATOM 429 CG TYR A 29 9.129 3.520 -3.960 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.637 4.768 -4.381 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.304 2.644 -3.230 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.316 5.144 -4.070 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.982 3.018 -2.919 1.00 0.38 C ATOM 434 CZ TYR A 29 6.488 4.268 -3.338 1.00 0.36 C ATOM 435 OH TYR A 29 5.194 4.636 -3.033 1.00 0.39 O ATOM 0 H TYR A 29 13.070 2.777 -2.627 1.00 0.23 H new ATOM 0 HA TYR A 29 11.634 4.956 -3.985 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.720 3.239 -5.364 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.698 2.068 -4.060 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.272 5.438 -4.942 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.684 1.686 -2.908 1.00 0.35 H new ATOM 0 HE1 TYR A 29 6.937 6.103 -4.392 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.348 2.346 -2.360 1.00 0.38 H new ATOM 0 HH TYR A 29 4.761 3.918 -2.526 1.00 0.39 H new ATOM 445 N GLU A 30 10.615 5.341 -1.712 1.00 0.22 N ATOM 446 CA GLU A 30 10.168 5.578 -0.302 1.00 0.20 C ATOM 447 C GLU A 30 8.661 5.323 -0.191 1.00 0.21 C ATOM 448 O GLU A 30 7.931 5.408 -1.158 1.00 0.24 O ATOM 449 CB GLU A 30 10.477 7.024 0.094 1.00 0.22 C ATOM 450 CG GLU A 30 11.966 7.164 0.424 1.00 0.25 C ATOM 451 CD GLU A 30 12.341 8.646 0.485 1.00 0.69 C ATOM 452 OE1 GLU A 30 12.657 9.199 -0.555 1.00 1.43 O ATOM 453 OE2 GLU A 30 12.305 9.201 1.571 1.00 1.35 O ATOM 0 H GLU A 30 10.506 6.136 -2.342 1.00 0.22 H new ATOM 0 HA GLU A 30 10.697 4.899 0.366 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.210 7.699 -0.720 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.875 7.311 0.956 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.184 6.684 1.378 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.566 6.658 -0.332 1.00 0.25 H new ATOM 460 N THR A 31 8.198 5.000 0.985 1.00 0.19 N ATOM 461 CA THR A 31 6.742 4.724 1.180 1.00 0.21 C ATOM 462 C THR A 31 5.943 6.026 1.133 1.00 0.25 C ATOM 463 O THR A 31 6.422 7.053 0.695 1.00 0.27 O ATOM 464 CB THR A 31 6.542 4.069 2.547 1.00 0.20 C ATOM 465 OG1 THR A 31 7.214 4.841 3.524 1.00 0.21 O ATOM 466 CG2 THR A 31 7.108 2.647 2.520 1.00 0.20 C ATOM 0 H THR A 31 8.768 4.914 1.827 1.00 0.19 H new ATOM 0 HA THR A 31 6.394 4.064 0.385 1.00 0.21 H new ATOM 0 HB THR A 31 5.480 4.020 2.788 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.104 5.793 3.321 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.965 2.180 3.495 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.590 2.064 1.759 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.172 2.683 2.287 1.00 0.20 H new ATOM 474 N SER A 32 4.720 5.981 1.592 1.00 0.27 N ATOM 475 CA SER A 32 3.863 7.197 1.594 1.00 0.31 C ATOM 476 C SER A 32 4.097 7.989 2.879 1.00 0.33 C ATOM 477 O SER A 32 5.204 8.092 3.370 1.00 0.33 O ATOM 478 CB SER A 32 2.397 6.772 1.529 1.00 0.33 C ATOM 479 OG SER A 32 2.207 5.907 0.418 1.00 1.27 O ATOM 0 H SER A 32 4.276 5.144 1.969 1.00 0.27 H new ATOM 0 HA SER A 32 4.111 7.819 0.734 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.112 6.266 2.451 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.756 7.649 1.436 1.00 0.33 H new ATOM 0 HG SER A 32 1.442 6.217 -0.111 1.00 1.27 H new ATOM 485 N SER A 33 3.053 8.548 3.423 1.00 0.36 N ATOM 486 CA SER A 33 3.181 9.343 4.681 1.00 0.40 C ATOM 487 C SER A 33 1.923 9.143 5.520 1.00 0.40 C ATOM 488 O SER A 33 1.971 9.087 6.733 1.00 0.42 O ATOM 489 CB SER A 33 3.309 10.820 4.326 1.00 0.46 C ATOM 490 OG SER A 33 2.016 11.353 4.066 1.00 0.48 O ATOM 0 H SER A 33 2.106 8.489 3.048 1.00 0.36 H new ATOM 0 HA SER A 33 4.059 9.018 5.239 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.781 11.363 5.144 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.948 10.942 3.452 1.00 0.46 H new ATOM 0 HG SER A 33 2.093 12.303 3.839 1.00 0.48 H new ATOM 496 N LEU A 34 0.796 9.043 4.868 1.00 0.39 N ATOM 497 CA LEU A 34 -0.500 8.850 5.586 1.00 0.39 C ATOM 498 C LEU A 34 -0.320 7.875 6.751 1.00 0.37 C ATOM 499 O LEU A 34 -0.608 8.187 7.889 1.00 0.40 O ATOM 500 CB LEU A 34 -1.539 8.278 4.619 1.00 0.36 C ATOM 501 CG LEU A 34 -1.458 8.997 3.272 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.618 8.540 2.384 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.544 10.511 3.490 1.00 0.45 C ATOM 0 H LEU A 34 0.716 9.087 3.852 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.835 9.814 5.970 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.369 7.210 4.480 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.538 8.390 5.040 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.511 8.757 2.788 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.563 9.051 1.423 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.554 7.463 2.227 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.564 8.780 2.869 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.486 11.021 2.528 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.489 10.756 3.974 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.718 10.835 4.123 1.00 0.45 H new ATOM 515 N CYS A 35 0.151 6.695 6.470 1.00 0.33 N ATOM 516 CA CYS A 35 0.346 5.697 7.555 1.00 0.34 C ATOM 517 C CYS A 35 1.499 6.152 8.456 1.00 0.39 C ATOM 518 O CYS A 35 2.560 6.508 7.992 1.00 0.38 O ATOM 519 CB CYS A 35 0.662 4.327 6.943 1.00 0.32 C ATOM 520 SG CYS A 35 1.764 4.529 5.521 1.00 0.39 S ATOM 0 H CYS A 35 0.410 6.378 5.536 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.564 5.615 8.150 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.130 3.685 7.689 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.260 3.836 6.633 1.00 0.32 H new ATOM 525 N SER A 36 1.282 6.167 9.741 1.00 0.44 N ATOM 526 CA SER A 36 2.348 6.612 10.684 1.00 0.51 C ATOM 527 C SER A 36 3.536 5.638 10.686 1.00 0.51 C ATOM 528 O SER A 36 4.182 5.460 11.700 1.00 0.58 O ATOM 529 CB SER A 36 1.766 6.694 12.096 1.00 0.59 C ATOM 530 OG SER A 36 2.813 6.955 13.021 1.00 1.41 O ATOM 0 H SER A 36 0.406 5.888 10.183 1.00 0.44 H new ATOM 0 HA SER A 36 2.706 7.589 10.359 1.00 0.51 H new ATOM 0 HB2 SER A 36 1.015 7.482 12.147 1.00 0.59 H new ATOM 0 HB3 SER A 36 1.265 5.760 12.350 1.00 0.59 H new ATOM 0 HG SER A 36 3.483 6.242 12.966 1.00 1.41 H new ATOM 536 N GLN A 37 3.846 4.999 9.583 1.00 0.45 N ATOM 537 CA GLN A 37 5.004 4.049 9.593 1.00 0.47 C ATOM 538 C GLN A 37 5.608 3.896 8.189 1.00 0.36 C ATOM 539 O GLN A 37 5.570 2.822 7.627 1.00 0.35 O ATOM 540 CB GLN A 37 4.527 2.680 10.088 1.00 0.55 C ATOM 541 CG GLN A 37 3.225 2.297 9.378 1.00 0.78 C ATOM 542 CD GLN A 37 2.767 0.921 9.864 1.00 0.79 C ATOM 543 OE1 GLN A 37 2.734 0.663 11.052 1.00 1.24 O ATOM 544 NE2 GLN A 37 2.408 0.020 8.992 1.00 1.47 N ATOM 0 H GLN A 37 3.358 5.091 8.692 1.00 0.45 H new ATOM 0 HA GLN A 37 5.771 4.448 10.256 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.292 1.927 9.896 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.370 2.707 11.166 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.455 3.041 9.581 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.377 2.282 8.299 1.00 0.78 H new ATOM 0 HE21 GLN A 37 2.435 0.235 7.995 1.00 1.47 H new ATOM 0 HE22 GLN A 37 2.100 -0.900 9.307 1.00 1.47 H new ATOM 553 N PRO A 38 6.176 4.962 7.663 1.00 0.34 N ATOM 554 CA PRO A 38 6.812 4.918 6.332 1.00 0.26 C ATOM 555 C PRO A 38 8.069 4.038 6.408 1.00 0.25 C ATOM 556 O PRO A 38 8.429 3.537 7.455 1.00 0.27 O ATOM 557 CB PRO A 38 7.179 6.389 6.021 1.00 0.33 C ATOM 558 CG PRO A 38 6.903 7.220 7.309 1.00 0.43 C ATOM 559 CD PRO A 38 6.225 6.281 8.333 1.00 0.43 C ATOM 0 HA PRO A 38 6.169 4.498 5.559 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.226 6.470 5.729 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.586 6.765 5.187 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.833 7.620 7.713 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.260 8.071 7.085 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.794 6.232 9.262 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.225 6.632 8.590 1.00 0.43 H new ATOM 567 N ALA A 39 8.736 3.856 5.307 1.00 0.23 N ATOM 568 CA ALA A 39 9.967 3.026 5.292 1.00 0.22 C ATOM 569 C ALA A 39 10.651 3.215 3.943 1.00 0.19 C ATOM 570 O ALA A 39 10.072 3.757 3.022 1.00 0.22 O ATOM 571 CB ALA A 39 9.597 1.554 5.478 1.00 0.23 C ATOM 0 H ALA A 39 8.476 4.253 4.404 1.00 0.23 H new ATOM 0 HA ALA A 39 10.634 3.326 6.100 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.502 0.947 5.467 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.086 1.425 6.432 1.00 0.23 H new ATOM 0 HB3 ALA A 39 8.939 1.239 4.668 1.00 0.23 H new ATOM 577 N VAL A 40 11.865 2.755 3.800 1.00 0.15 N ATOM 578 CA VAL A 40 12.564 2.893 2.487 1.00 0.13 C ATOM 579 C VAL A 40 12.411 1.572 1.742 1.00 0.13 C ATOM 580 O VAL A 40 12.417 0.513 2.337 1.00 0.18 O ATOM 581 CB VAL A 40 14.051 3.203 2.713 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.840 2.947 1.424 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.203 4.673 3.104 1.00 0.16 C ATOM 0 H VAL A 40 12.402 2.291 4.532 1.00 0.15 H new ATOM 0 HA VAL A 40 12.133 3.709 1.908 1.00 0.13 H new ATOM 0 HB VAL A 40 14.435 2.561 3.506 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.894 3.169 1.592 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.731 1.902 1.132 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.457 3.587 0.630 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.257 4.899 3.266 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.815 5.304 2.305 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.646 4.865 4.021 1.00 0.16 H new ATOM 593 N VAL A 41 12.260 1.631 0.445 1.00 0.15 N ATOM 594 CA VAL A 41 12.086 0.384 -0.363 1.00 0.16 C ATOM 595 C VAL A 41 13.210 0.278 -1.396 1.00 0.16 C ATOM 596 O VAL A 41 13.367 1.127 -2.245 1.00 0.18 O ATOM 597 CB VAL A 41 10.729 0.435 -1.068 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.337 -0.964 -1.535 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.668 0.949 -0.091 1.00 0.23 C ATOM 0 H VAL A 41 12.249 2.496 -0.095 1.00 0.15 H new ATOM 0 HA VAL A 41 12.125 -0.489 0.289 1.00 0.16 H new ATOM 0 HB VAL A 41 10.797 1.101 -1.928 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.370 -0.923 -2.036 1.00 0.25 H new ATOM 0 HG12 VAL A 41 11.089 -1.340 -2.228 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.271 -1.630 -0.674 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.700 0.986 -0.591 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.608 0.279 0.766 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.940 1.949 0.248 1.00 0.23 H new ATOM 609 N PHE A 42 14.005 -0.758 -1.328 1.00 0.15 N ATOM 610 CA PHE A 42 15.129 -0.905 -2.303 1.00 0.17 C ATOM 611 C PHE A 42 14.668 -1.692 -3.533 1.00 0.21 C ATOM 612 O PHE A 42 14.034 -2.724 -3.428 1.00 0.23 O ATOM 613 CB PHE A 42 16.291 -1.655 -1.639 1.00 0.16 C ATOM 614 CG PHE A 42 17.037 -0.732 -0.699 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.714 0.394 -1.207 1.00 0.14 C ATOM 616 CD2 PHE A 42 17.065 -1.005 0.684 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.415 1.247 -0.334 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.768 -0.152 1.556 1.00 0.14 C ATOM 619 CZ PHE A 42 18.443 0.974 1.047 1.00 0.14 C ATOM 0 H PHE A 42 13.926 -1.508 -0.641 1.00 0.15 H new ATOM 0 HA PHE A 42 15.453 0.089 -2.612 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.911 -2.517 -1.090 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.970 -2.037 -2.401 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.695 0.603 -2.266 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.547 -1.869 1.074 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.932 2.112 -0.724 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.790 -0.361 2.615 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.982 1.628 1.716 1.00 0.14 H new ATOM 629 N GLN A 43 15.015 -1.220 -4.702 1.00 0.24 N ATOM 630 CA GLN A 43 14.643 -1.932 -5.961 1.00 0.28 C ATOM 631 C GLN A 43 15.859 -2.761 -6.392 1.00 0.30 C ATOM 632 O GLN A 43 16.946 -2.230 -6.538 1.00 0.30 O ATOM 633 CB GLN A 43 14.297 -0.893 -7.031 1.00 0.32 C ATOM 634 CG GLN A 43 13.033 -0.136 -6.618 1.00 0.32 C ATOM 635 CD GLN A 43 12.796 1.027 -7.582 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.867 0.859 -8.783 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.513 2.209 -7.105 1.00 1.31 N ATOM 0 H GLN A 43 15.547 -0.361 -4.839 1.00 0.24 H new ATOM 0 HA GLN A 43 13.780 -2.582 -5.816 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.126 -0.196 -7.158 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.142 -1.383 -7.992 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.175 -0.808 -6.625 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.137 0.238 -5.599 1.00 0.32 H new ATOM 0 HE21 GLN A 43 12.453 2.351 -6.097 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.352 2.990 -7.741 1.00 1.31 H new ATOM 646 N THR A 44 15.715 -4.064 -6.546 1.00 0.32 N ATOM 647 CA THR A 44 16.912 -4.908 -6.904 1.00 0.34 C ATOM 648 C THR A 44 16.977 -5.212 -8.401 1.00 0.39 C ATOM 649 O THR A 44 16.345 -4.572 -9.218 1.00 0.41 O ATOM 650 CB THR A 44 16.844 -6.232 -6.145 1.00 0.34 C ATOM 651 OG1 THR A 44 15.986 -7.121 -6.839 1.00 0.38 O ATOM 652 CG2 THR A 44 16.300 -5.984 -4.736 1.00 0.29 C ATOM 0 H THR A 44 14.837 -4.572 -6.442 1.00 0.32 H new ATOM 0 HA THR A 44 17.802 -4.342 -6.630 1.00 0.34 H new ATOM 0 HB THR A 44 17.840 -6.668 -6.073 1.00 0.34 H new ATOM 0 HG1 THR A 44 16.290 -8.043 -6.703 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.251 -6.928 -4.193 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.959 -5.296 -4.207 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.302 -5.551 -4.802 1.00 0.29 H new ATOM 660 N LYS A 45 17.770 -6.199 -8.752 1.00 0.43 N ATOM 661 CA LYS A 45 17.939 -6.591 -10.183 1.00 0.48 C ATOM 662 C LYS A 45 17.147 -7.869 -10.480 1.00 0.51 C ATOM 663 O LYS A 45 16.835 -8.159 -11.618 1.00 0.56 O ATOM 664 CB LYS A 45 19.415 -6.874 -10.448 1.00 0.50 C ATOM 665 CG LYS A 45 20.257 -5.736 -9.896 1.00 0.46 C ATOM 666 CD LYS A 45 21.726 -5.993 -10.235 1.00 0.49 C ATOM 667 CE LYS A 45 22.519 -4.705 -10.059 1.00 0.54 C ATOM 668 NZ LYS A 45 22.296 -3.817 -11.235 1.00 1.55 N ATOM 0 H LYS A 45 18.314 -6.756 -8.094 1.00 0.43 H new ATOM 0 HA LYS A 45 17.578 -5.780 -10.816 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.705 -7.815 -9.981 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.589 -6.983 -11.519 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.933 -4.787 -10.322 1.00 0.46 H new ATOM 0 HG3 LYS A 45 20.127 -5.661 -8.816 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.129 -6.772 -9.588 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.817 -6.352 -11.260 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.211 -4.198 -9.144 1.00 0.54 H new ATOM 0 HE3 LYS A 45 23.581 -4.930 -9.957 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 22.619 -2.855 -11.010 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 22.830 -4.180 -12.050 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 21.282 -3.796 -11.467 1.00 1.55 H new ATOM 682 N ARG A 46 16.840 -8.649 -9.467 1.00 0.50 N ATOM 683 CA ARG A 46 16.089 -9.928 -9.693 1.00 0.54 C ATOM 684 C ARG A 46 14.968 -10.042 -8.656 1.00 0.49 C ATOM 685 O ARG A 46 14.856 -11.011 -7.938 1.00 0.48 O ATOM 686 CB ARG A 46 17.069 -11.112 -9.555 1.00 0.59 C ATOM 687 CG ARG A 46 16.537 -12.369 -10.286 1.00 0.72 C ATOM 688 CD ARG A 46 15.488 -13.107 -9.439 1.00 0.92 C ATOM 689 NE ARG A 46 15.447 -14.551 -9.841 1.00 1.48 N ATOM 690 CZ ARG A 46 15.287 -14.908 -11.089 1.00 2.13 C ATOM 691 NH1 ARG A 46 14.954 -14.030 -11.994 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.402 -16.165 -11.421 1.00 2.82 N ATOM 0 H ARG A 46 17.077 -8.455 -8.494 1.00 0.50 H new ATOM 0 HA ARG A 46 15.650 -9.940 -10.691 1.00 0.54 H new ATOM 0 HB2 ARG A 46 18.040 -10.833 -9.965 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.222 -11.339 -8.500 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.098 -12.078 -11.240 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.366 -13.041 -10.508 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.733 -13.020 -8.380 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.507 -12.652 -9.578 1.00 0.92 H new ATOM 0 HE ARG A 46 15.546 -15.271 -9.125 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.816 -13.054 -11.731 1.00 2.62 H new ATOM 0 HH12 ARG A 46 14.832 -14.319 -12.964 1.00 2.62 H new ATOM 0 HH21 ARG A 46 15.616 -16.863 -10.709 1.00 2.82 H new ATOM 0 HH22 ARG A 46 15.278 -16.449 -12.393 1.00 2.82 H new ATOM 706 N SER A 47 14.130 -9.053 -8.586 1.00 0.46 N ATOM 707 CA SER A 47 13.001 -9.088 -7.627 1.00 0.42 C ATOM 708 C SER A 47 12.047 -7.958 -7.993 1.00 0.42 C ATOM 709 O SER A 47 11.528 -7.901 -9.090 1.00 0.46 O ATOM 710 CB SER A 47 13.510 -8.920 -6.189 1.00 0.38 C ATOM 711 OG SER A 47 13.908 -7.574 -5.974 1.00 1.07 O ATOM 0 H SER A 47 14.180 -8.211 -9.160 1.00 0.46 H new ATOM 0 HA SER A 47 12.488 -10.048 -7.681 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.727 -9.195 -5.482 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.351 -9.590 -6.010 1.00 0.38 H new ATOM 0 HG SER A 47 14.777 -7.418 -6.400 1.00 1.07 H new ATOM 717 N LYS A 48 11.831 -7.053 -7.100 1.00 0.38 N ATOM 718 CA LYS A 48 10.935 -5.909 -7.385 1.00 0.40 C ATOM 719 C LYS A 48 11.301 -4.796 -6.420 1.00 0.35 C ATOM 720 O LYS A 48 12.201 -4.015 -6.662 1.00 0.34 O ATOM 721 CB LYS A 48 9.474 -6.317 -7.165 1.00 0.44 C ATOM 722 CG LYS A 48 9.035 -7.302 -8.254 1.00 1.11 C ATOM 723 CD LYS A 48 7.508 -7.406 -8.265 1.00 1.38 C ATOM 724 CE LYS A 48 7.073 -8.413 -9.331 1.00 2.13 C ATOM 725 NZ LYS A 48 5.628 -8.732 -9.153 1.00 2.73 N ATOM 0 H LYS A 48 12.243 -7.053 -6.167 1.00 0.38 H new ATOM 0 HA LYS A 48 11.049 -5.584 -8.419 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.360 -6.774 -6.182 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.835 -5.434 -7.182 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.394 -6.968 -9.227 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.475 -8.282 -8.071 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.147 -7.719 -7.285 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.068 -6.430 -8.470 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.246 -8.003 -10.326 1.00 2.13 H new ATOM 0 HE3 LYS A 48 7.669 -9.322 -9.253 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 5.332 -9.417 -9.878 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 5.476 -9.140 -8.209 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.066 -7.862 -9.248 1.00 2.73 H new ATOM 739 N GLN A 49 10.618 -4.747 -5.310 1.00 0.33 N ATOM 740 CA GLN A 49 10.899 -3.715 -4.273 1.00 0.30 C ATOM 741 C GLN A 49 11.011 -4.430 -2.917 1.00 0.25 C ATOM 742 O GLN A 49 10.325 -5.403 -2.662 1.00 0.26 O ATOM 743 CB GLN A 49 9.752 -2.672 -4.255 1.00 0.35 C ATOM 744 CG GLN A 49 8.916 -2.784 -5.534 1.00 0.82 C ATOM 745 CD GLN A 49 7.971 -1.586 -5.636 1.00 0.89 C ATOM 746 OE1 GLN A 49 7.261 -1.437 -6.610 1.00 1.53 O ATOM 747 NE2 GLN A 49 7.933 -0.717 -4.662 1.00 1.52 N ATOM 0 H GLN A 49 9.863 -5.391 -5.074 1.00 0.33 H new ATOM 0 HA GLN A 49 11.829 -3.188 -4.488 1.00 0.30 H new ATOM 0 HB2 GLN A 49 9.119 -2.832 -3.382 1.00 0.35 H new ATOM 0 HB3 GLN A 49 10.165 -1.667 -4.169 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.570 -2.820 -6.406 1.00 0.82 H new ATOM 0 HG3 GLN A 49 8.344 -3.712 -5.526 1.00 0.82 H new ATOM 0 HE21 GLN A 49 8.529 -0.842 -3.844 1.00 1.52 H new ATOM 0 HE22 GLN A 49 7.307 0.086 -4.719 1.00 1.52 H new ATOM 756 N VAL A 50 11.881 -3.967 -2.056 1.00 0.23 N ATOM 757 CA VAL A 50 12.053 -4.621 -0.719 1.00 0.19 C ATOM 758 C VAL A 50 12.058 -3.553 0.366 1.00 0.16 C ATOM 759 O VAL A 50 12.827 -2.619 0.318 1.00 0.15 O ATOM 760 CB VAL A 50 13.384 -5.380 -0.697 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.422 -6.308 0.519 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.522 -6.201 -1.987 1.00 0.31 C ATOM 0 H VAL A 50 12.483 -3.160 -2.220 1.00 0.23 H new ATOM 0 HA VAL A 50 11.233 -5.317 -0.540 1.00 0.19 H new ATOM 0 HB VAL A 50 14.210 -4.672 -0.631 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.369 -6.848 0.535 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.325 -5.718 1.430 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.599 -7.020 0.459 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.468 -6.742 -1.974 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.698 -6.912 -2.056 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.498 -5.533 -2.848 1.00 0.31 H new ATOM 772 N CYS A 51 11.203 -3.684 1.341 1.00 0.16 N ATOM 773 CA CYS A 51 11.142 -2.668 2.425 1.00 0.15 C ATOM 774 C CYS A 51 12.373 -2.794 3.320 1.00 0.14 C ATOM 775 O CYS A 51 12.945 -3.857 3.464 1.00 0.16 O ATOM 776 CB CYS A 51 9.880 -2.899 3.255 1.00 0.17 C ATOM 777 SG CYS A 51 8.419 -2.679 2.209 1.00 0.21 S ATOM 0 H CYS A 51 10.541 -4.455 1.433 1.00 0.16 H new ATOM 0 HA CYS A 51 11.119 -1.669 1.989 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.889 -3.903 3.678 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.850 -2.201 4.092 1.00 0.17 H new ATOM 782 N ALA A 52 12.792 -1.708 3.917 1.00 0.12 N ATOM 783 CA ALA A 52 13.996 -1.746 4.798 1.00 0.13 C ATOM 784 C ALA A 52 13.790 -0.800 5.985 1.00 0.15 C ATOM 785 O ALA A 52 13.321 0.312 5.833 1.00 0.15 O ATOM 786 CB ALA A 52 15.219 -1.287 4.000 1.00 0.11 C ATOM 0 H ALA A 52 12.350 -0.793 3.831 1.00 0.12 H new ATOM 0 HA ALA A 52 14.149 -2.762 5.161 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.101 -1.313 4.639 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.368 -1.951 3.149 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.060 -0.270 3.643 1.00 0.11 H new ATOM 792 N ASP A 53 14.138 -1.239 7.165 1.00 0.18 N ATOM 793 CA ASP A 53 13.968 -0.374 8.368 1.00 0.22 C ATOM 794 C ASP A 53 14.958 0.814 8.290 1.00 0.21 C ATOM 795 O ASP A 53 16.152 0.584 8.301 1.00 0.22 O ATOM 796 CB ASP A 53 14.285 -1.201 9.616 1.00 0.27 C ATOM 797 CG ASP A 53 13.809 -0.450 10.861 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.855 0.769 10.846 1.00 2.17 O ATOM 799 OD2 ASP A 53 13.409 -1.107 11.809 1.00 2.10 O ATOM 0 H ASP A 53 14.533 -2.161 7.348 1.00 0.18 H new ATOM 0 HA ASP A 53 12.946 0.002 8.412 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.795 -2.173 9.555 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.357 -1.388 9.679 1.00 0.27 H new ATOM 804 N PRO A 54 14.479 2.051 8.215 1.00 0.22 N ATOM 805 CA PRO A 54 15.394 3.211 8.140 1.00 0.24 C ATOM 806 C PRO A 54 16.261 3.284 9.406 1.00 0.28 C ATOM 807 O PRO A 54 17.171 4.084 9.502 1.00 0.30 O ATOM 808 CB PRO A 54 14.473 4.447 8.029 1.00 0.27 C ATOM 809 CG PRO A 54 13.002 3.944 8.071 1.00 0.27 C ATOM 810 CD PRO A 54 13.038 2.405 8.195 1.00 0.24 C ATOM 0 HA PRO A 54 16.079 3.144 7.294 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.664 5.141 8.848 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.667 4.987 7.102 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.471 4.384 8.915 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.469 4.243 7.168 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.538 2.071 9.104 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.527 1.930 7.357 1.00 0.24 H new ATOM 818 N SER A 55 15.975 2.469 10.380 1.00 0.31 N ATOM 819 CA SER A 55 16.770 2.507 11.641 1.00 0.36 C ATOM 820 C SER A 55 18.124 1.828 11.425 1.00 0.36 C ATOM 821 O SER A 55 19.052 2.025 12.185 1.00 0.40 O ATOM 822 CB SER A 55 16.006 1.776 12.744 1.00 0.40 C ATOM 823 OG SER A 55 14.797 2.473 13.019 1.00 1.42 O ATOM 0 H SER A 55 15.226 1.777 10.360 1.00 0.31 H new ATOM 0 HA SER A 55 16.932 3.545 11.931 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.788 0.754 12.435 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.616 1.713 13.645 1.00 0.40 H new ATOM 0 HG SER A 55 14.090 2.148 12.424 1.00 1.42 H new ATOM 829 N GLU A 56 18.254 1.034 10.397 1.00 0.33 N ATOM 830 CA GLU A 56 19.558 0.355 10.144 1.00 0.34 C ATOM 831 C GLU A 56 20.503 1.323 9.425 1.00 0.33 C ATOM 832 O GLU A 56 20.232 1.793 8.337 1.00 0.29 O ATOM 833 CB GLU A 56 19.328 -0.888 9.283 1.00 0.31 C ATOM 834 CG GLU A 56 18.791 -2.029 10.152 1.00 0.35 C ATOM 835 CD GLU A 56 18.559 -3.267 9.286 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.896 -3.139 8.271 1.00 2.08 O ATOM 837 OE2 GLU A 56 19.050 -4.322 9.652 1.00 2.01 O ATOM 0 H GLU A 56 17.517 0.826 9.723 1.00 0.33 H new ATOM 0 HA GLU A 56 20.006 0.054 11.091 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.621 -0.663 8.485 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.261 -1.189 8.807 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.499 -2.257 10.949 1.00 0.35 H new ATOM 0 HG3 GLU A 56 17.859 -1.728 10.631 1.00 0.35 H new ATOM 844 N SER A 57 21.602 1.633 10.048 1.00 0.37 N ATOM 845 CA SER A 57 22.583 2.582 9.451 1.00 0.38 C ATOM 846 C SER A 57 22.931 2.198 8.009 1.00 0.35 C ATOM 847 O SER A 57 23.104 3.055 7.165 1.00 0.34 O ATOM 848 CB SER A 57 23.860 2.577 10.294 1.00 0.44 C ATOM 849 OG SER A 57 24.537 1.340 10.112 1.00 1.37 O ATOM 0 H SER A 57 21.868 1.264 10.961 1.00 0.37 H new ATOM 0 HA SER A 57 22.134 3.575 9.439 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.506 3.405 10.002 1.00 0.44 H new ATOM 0 HB3 SER A 57 23.615 2.720 11.347 1.00 0.44 H new ATOM 0 HG SER A 57 25.357 1.334 10.649 1.00 1.37 H new ATOM 855 N TRP A 58 23.061 0.934 7.712 1.00 0.34 N ATOM 856 CA TRP A 58 23.426 0.551 6.318 1.00 0.32 C ATOM 857 C TRP A 58 22.352 1.045 5.353 1.00 0.27 C ATOM 858 O TRP A 58 22.632 1.385 4.222 1.00 0.27 O ATOM 859 CB TRP A 58 23.630 -0.967 6.207 1.00 0.34 C ATOM 860 CG TRP A 58 22.331 -1.705 6.129 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.799 -2.432 7.136 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.421 -1.848 4.995 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.621 -3.009 6.702 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.337 -2.675 5.396 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.420 -1.343 3.674 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.291 -2.994 4.517 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.369 -1.660 2.786 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.306 -2.483 3.209 1.00 0.26 C ATOM 0 H TRP A 58 22.933 0.160 8.363 1.00 0.34 H new ATOM 0 HA TRP A 58 24.371 1.024 6.051 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.226 -1.188 5.322 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.196 -1.320 7.069 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.226 -2.544 8.122 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.033 -3.610 7.279 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.229 -0.710 3.342 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.480 -3.628 4.844 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.380 -1.270 1.779 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.503 -2.721 2.527 1.00 0.26 H new ATOM 879 N VAL A 59 21.131 1.116 5.793 1.00 0.24 N ATOM 880 CA VAL A 59 20.057 1.613 4.895 1.00 0.20 C ATOM 881 C VAL A 59 20.332 3.078 4.583 1.00 0.22 C ATOM 882 O VAL A 59 20.277 3.504 3.448 1.00 0.21 O ATOM 883 CB VAL A 59 18.708 1.470 5.594 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.597 2.038 4.706 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.452 -0.013 5.855 1.00 0.19 C ATOM 0 H VAL A 59 20.830 0.853 6.731 1.00 0.24 H new ATOM 0 HA VAL A 59 20.036 1.037 3.970 1.00 0.20 H new ATOM 0 HB VAL A 59 18.718 2.020 6.535 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.637 1.932 5.212 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.790 3.093 4.511 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.572 1.494 3.762 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.491 -0.134 6.355 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.439 -0.552 4.908 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.243 -0.413 6.489 1.00 0.19 H new ATOM 895 N GLN A 60 20.650 3.849 5.581 1.00 0.25 N ATOM 896 CA GLN A 60 20.954 5.285 5.334 1.00 0.28 C ATOM 897 C GLN A 60 22.223 5.388 4.482 1.00 0.30 C ATOM 898 O GLN A 60 22.353 6.257 3.642 1.00 0.31 O ATOM 899 CB GLN A 60 21.171 6.001 6.668 1.00 0.33 C ATOM 900 CG GLN A 60 19.997 5.706 7.603 1.00 1.25 C ATOM 901 CD GLN A 60 20.076 6.619 8.829 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.272 6.155 9.935 1.00 2.33 O ATOM 903 NE2 GLN A 60 19.933 7.907 8.677 1.00 2.14 N ATOM 0 H GLN A 60 20.713 3.550 6.554 1.00 0.25 H new ATOM 0 HA GLN A 60 20.120 5.752 4.810 1.00 0.28 H new ATOM 0 HB2 GLN A 60 22.104 5.669 7.123 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.259 7.075 6.506 1.00 0.33 H new ATOM 0 HG2 GLN A 60 19.054 5.863 7.080 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.019 4.661 7.913 1.00 1.25 H new ATOM 0 HE21 GLN A 60 19.769 8.296 7.748 1.00 2.14 H new ATOM 0 HE22 GLN A 60 19.986 8.525 9.487 1.00 2.14 H new ATOM 912 N GLU A 61 23.162 4.505 4.699 1.00 0.31 N ATOM 913 CA GLU A 61 24.430 4.541 3.913 1.00 0.33 C ATOM 914 C GLU A 61 24.146 4.237 2.440 1.00 0.31 C ATOM 915 O GLU A 61 24.581 4.947 1.555 1.00 0.32 O ATOM 916 CB GLU A 61 25.400 3.497 4.469 1.00 0.35 C ATOM 917 CG GLU A 61 26.803 3.759 3.919 1.00 0.40 C ATOM 918 CD GLU A 61 27.402 4.986 4.608 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.163 6.083 4.132 1.00 2.03 O ATOM 920 OE2 GLU A 61 28.089 4.807 5.601 1.00 1.99 O ATOM 0 H GLU A 61 23.105 3.757 5.390 1.00 0.31 H new ATOM 0 HA GLU A 61 24.870 5.535 3.992 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.411 3.539 5.558 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.071 2.495 4.192 1.00 0.35 H new ATOM 0 HG2 GLU A 61 27.438 2.889 4.086 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.758 3.920 2.842 1.00 0.40 H new ATOM 927 N TYR A 62 23.425 3.185 2.170 1.00 0.28 N ATOM 928 CA TYR A 62 23.118 2.831 0.753 1.00 0.28 C ATOM 929 C TYR A 62 22.328 3.968 0.099 1.00 0.28 C ATOM 930 O TYR A 62 22.488 4.250 -1.072 1.00 0.30 O ATOM 931 CB TYR A 62 22.293 1.533 0.708 1.00 0.25 C ATOM 932 CG TYR A 62 23.200 0.317 0.805 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.153 0.211 1.840 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.086 -0.717 -0.148 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.985 -0.924 1.919 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.918 -1.849 -0.067 1.00 0.29 C ATOM 937 CZ TYR A 62 24.867 -1.952 0.966 1.00 0.31 C ATOM 938 OH TYR A 62 25.683 -3.062 1.045 1.00 0.34 O ATOM 0 H TYR A 62 23.034 2.553 2.869 1.00 0.28 H new ATOM 0 HA TYR A 62 24.051 2.681 0.210 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.575 1.524 1.528 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.720 1.492 -0.218 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.245 1.000 2.572 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.358 -0.640 -0.942 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.714 -1.005 2.712 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.828 -2.639 -0.798 1.00 0.29 H new ATOM 0 HH TYR A 62 25.471 -3.676 0.312 1.00 0.34 H new ATOM 948 N VAL A 63 21.486 4.630 0.841 1.00 0.27 N ATOM 949 CA VAL A 63 20.707 5.748 0.253 1.00 0.28 C ATOM 950 C VAL A 63 21.683 6.846 -0.145 1.00 0.32 C ATOM 951 O VAL A 63 21.549 7.474 -1.174 1.00 0.34 O ATOM 952 CB VAL A 63 19.717 6.281 1.291 1.00 0.28 C ATOM 953 CG1 VAL A 63 19.093 7.588 0.794 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.613 5.245 1.518 1.00 0.25 C ATOM 0 H VAL A 63 21.305 4.444 1.827 1.00 0.27 H new ATOM 0 HA VAL A 63 20.150 5.408 -0.620 1.00 0.28 H new ATOM 0 HB VAL A 63 20.244 6.469 2.226 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.389 7.961 1.538 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.877 8.328 0.633 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.567 7.407 -0.144 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.906 5.622 2.257 1.00 0.25 H new ATOM 0 HG22 VAL A 63 18.091 5.058 0.580 1.00 0.25 H new ATOM 0 HG23 VAL A 63 19.054 4.316 1.879 1.00 0.25 H new ATOM 964 N TYR A 64 22.672 7.071 0.669 1.00 0.34 N ATOM 965 CA TYR A 64 23.669 8.120 0.354 1.00 0.38 C ATOM 966 C TYR A 64 24.396 7.745 -0.935 1.00 0.38 C ATOM 967 O TYR A 64 24.631 8.568 -1.796 1.00 0.41 O ATOM 968 CB TYR A 64 24.678 8.217 1.503 1.00 0.41 C ATOM 969 CG TYR A 64 25.417 9.534 1.428 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.762 10.729 1.784 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.759 9.567 1.003 1.00 0.49 C ATOM 972 CE1 TYR A 64 25.449 11.956 1.716 1.00 0.52 C ATOM 973 CE2 TYR A 64 27.446 10.795 0.934 1.00 0.54 C ATOM 974 CZ TYR A 64 26.791 11.989 1.290 1.00 0.55 C ATOM 975 OH TYR A 64 27.465 13.191 1.223 1.00 0.60 O ATOM 0 H TYR A 64 22.831 6.570 1.543 1.00 0.34 H new ATOM 0 HA TYR A 64 23.171 9.081 0.226 1.00 0.38 H new ATOM 0 HB2 TYR A 64 24.162 8.133 2.460 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.385 7.389 1.449 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.732 10.704 2.109 1.00 0.48 H new ATOM 0 HD2 TYR A 64 27.262 8.651 0.730 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.947 12.872 1.991 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.475 10.820 0.608 1.00 0.54 H new ATOM 0 HH TYR A 64 28.381 13.035 0.911 1.00 0.60 H new ATOM 985 N ASP A 65 24.751 6.501 -1.065 1.00 0.36 N ATOM 986 CA ASP A 65 25.467 6.048 -2.291 1.00 0.37 C ATOM 987 C ASP A 65 24.578 6.283 -3.515 1.00 0.37 C ATOM 988 O ASP A 65 25.051 6.594 -4.590 1.00 0.40 O ATOM 989 CB ASP A 65 25.780 4.552 -2.161 1.00 0.35 C ATOM 990 CG ASP A 65 27.012 4.356 -1.275 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.969 5.092 -1.451 1.00 1.15 O ATOM 992 OD2 ASP A 65 26.978 3.473 -0.434 1.00 1.11 O ATOM 0 H ASP A 65 24.576 5.773 -0.373 1.00 0.36 H new ATOM 0 HA ASP A 65 26.395 6.608 -2.408 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.926 4.028 -1.733 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.957 4.121 -3.146 1.00 0.35 H new ATOM 997 N LEU A 66 23.295 6.140 -3.355 1.00 0.33 N ATOM 998 CA LEU A 66 22.366 6.353 -4.500 1.00 0.34 C ATOM 999 C LEU A 66 22.284 7.848 -4.819 1.00 0.39 C ATOM 1000 O LEU A 66 22.081 8.243 -5.949 1.00 0.42 O ATOM 1001 CB LEU A 66 20.979 5.822 -4.114 1.00 0.31 C ATOM 1002 CG LEU A 66 20.925 4.289 -4.291 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.804 3.712 -3.420 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.634 3.934 -5.759 1.00 0.30 C ATOM 0 H LEU A 66 22.845 5.883 -2.476 1.00 0.33 H new ATOM 0 HA LEU A 66 22.728 5.824 -5.381 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.757 6.084 -3.080 1.00 0.31 H new ATOM 0 HB3 LEU A 66 20.216 6.294 -4.733 1.00 0.31 H new ATOM 0 HG LEU A 66 21.887 3.870 -3.996 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.766 2.630 -3.545 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.997 3.950 -2.374 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.850 4.145 -3.720 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.598 2.850 -5.871 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.675 4.361 -6.053 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.422 4.339 -6.394 1.00 0.30 H new ATOM 1016 N GLU A 67 22.446 8.682 -3.831 1.00 0.40 N ATOM 1017 CA GLU A 67 22.384 10.151 -4.079 1.00 0.45 C ATOM 1018 C GLU A 67 23.647 10.586 -4.820 1.00 0.50 C ATOM 1019 O GLU A 67 23.644 11.541 -5.569 1.00 0.55 O ATOM 1020 CB GLU A 67 22.304 10.891 -2.743 1.00 0.46 C ATOM 1021 CG GLU A 67 20.937 10.648 -2.110 1.00 0.44 C ATOM 1022 CD GLU A 67 20.768 11.558 -0.891 1.00 1.13 C ATOM 1023 OE1 GLU A 67 21.775 11.981 -0.348 1.00 1.81 O ATOM 1024 OE2 GLU A 67 19.634 11.816 -0.523 1.00 1.88 O ATOM 0 H GLU A 67 22.619 8.412 -2.863 1.00 0.40 H new ATOM 0 HA GLU A 67 21.504 10.385 -4.678 1.00 0.45 H new ATOM 0 HB2 GLU A 67 23.093 10.545 -2.075 1.00 0.46 H new ATOM 0 HB3 GLU A 67 22.462 11.959 -2.896 1.00 0.46 H new ATOM 0 HG2 GLU A 67 20.148 10.845 -2.836 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.843 9.604 -1.813 1.00 0.44 H new ATOM 1031 N LEU A 68 24.725 9.885 -4.616 1.00 0.49 N ATOM 1032 CA LEU A 68 25.993 10.248 -5.310 1.00 0.54 C ATOM 1033 C LEU A 68 25.936 9.764 -6.760 1.00 0.56 C ATOM 1034 O LEU A 68 25.583 10.502 -7.659 1.00 0.62 O ATOM 1035 CB LEU A 68 27.175 9.588 -4.604 1.00 0.55 C ATOM 1036 CG LEU A 68 27.279 10.109 -3.167 1.00 0.55 C ATOM 1037 CD1 LEU A 68 28.410 9.369 -2.464 1.00 0.56 C ATOM 1038 CD2 LEU A 68 27.571 11.624 -3.162 1.00 0.61 C ATOM 0 H LEU A 68 24.785 9.075 -3.998 1.00 0.49 H new ATOM 0 HA LEU A 68 26.117 11.331 -5.288 1.00 0.54 H new ATOM 0 HB2 LEU A 68 27.049 8.505 -4.600 1.00 0.55 H new ATOM 0 HB3 LEU A 68 28.097 9.800 -5.145 1.00 0.55 H new ATOM 0 HG LEU A 68 26.335 9.938 -2.650 1.00 0.55 H new ATOM 0 HD11 LEU A 68 28.498 9.728 -1.439 1.00 0.56 H new ATOM 0 HD12 LEU A 68 28.196 8.300 -2.457 1.00 0.56 H new ATOM 0 HD13 LEU A 68 29.346 9.548 -2.993 1.00 0.56 H new ATOM 0 HD21 LEU A 68 27.642 11.978 -2.133 1.00 0.61 H new ATOM 0 HD22 LEU A 68 28.513 11.815 -3.677 1.00 0.61 H new ATOM 0 HD23 LEU A 68 26.765 12.152 -3.672 1.00 0.61 H new ATOM 1050 N ASN A 69 26.280 8.526 -6.995 1.00 0.61 N ATOM 1051 CA ASN A 69 26.248 7.986 -8.385 1.00 0.64 C ATOM 1052 C ASN A 69 24.863 7.404 -8.674 1.00 0.70 C ATOM 1053 O ASN A 69 24.281 6.834 -7.766 1.00 1.15 O ATOM 1054 CB ASN A 69 27.301 6.884 -8.526 1.00 0.82 C ATOM 1055 CG ASN A 69 28.658 7.410 -8.054 1.00 1.67 C ATOM 1056 OD1 ASN A 69 29.529 6.643 -7.695 1.00 2.45 O ATOM 1057 ND2 ASN A 69 28.875 8.697 -8.039 1.00 2.41 N ATOM 1058 OXT ASN A 69 24.409 7.538 -9.798 1.00 1.44 O ATOM 0 H ASN A 69 26.583 7.863 -6.281 1.00 0.61 H new ATOM 0 HA ASN A 69 26.461 8.788 -9.092 1.00 0.64 H new ATOM 0 HB2 ASN A 69 27.012 6.013 -7.938 1.00 0.82 H new ATOM 0 HB3 ASN A 69 27.366 6.560 -9.565 1.00 0.82 H new ATOM 0 HD21 ASN A 69 29.776 9.059 -7.726 1.00 2.41 H new ATOM 0 HD22 ASN A 69 28.144 9.341 -8.340 1.00 2.41 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 8.698 -16.322 -13.279 1.00 3.98 N ATOM 1067 CA ALA B 1 9.910 -16.041 -12.457 1.00 3.41 C ATOM 1068 C ALA B 1 9.499 -15.990 -10.971 1.00 2.89 C ATOM 1069 O ALA B 1 8.329 -15.866 -10.670 1.00 2.91 O ATOM 1070 CB ALA B 1 10.513 -14.690 -12.907 1.00 3.83 C ATOM 0 H1 ALA B 1 8.729 -17.305 -13.618 1.00 3.98 H new ATOM 0 H2 ALA B 1 7.846 -16.182 -12.700 1.00 3.98 H new ATOM 0 H3 ALA B 1 8.673 -15.676 -14.093 1.00 3.98 H new ATOM 0 HA ALA B 1 10.659 -16.822 -12.589 1.00 3.41 H new ATOM 0 HB1 ALA B 1 11.401 -14.472 -12.313 1.00 3.83 H new ATOM 0 HB2 ALA B 1 10.786 -14.746 -13.961 1.00 3.83 H new ATOM 0 HB3 ALA B 1 9.778 -13.898 -12.764 1.00 3.83 H new ATOM 1078 N PRO B 2 10.466 -16.080 -10.078 1.00 2.53 N ATOM 1079 CA PRO B 2 10.181 -16.036 -8.631 1.00 2.14 C ATOM 1080 C PRO B 2 9.432 -14.740 -8.289 1.00 1.85 C ATOM 1081 O PRO B 2 9.429 -13.793 -9.051 1.00 1.89 O ATOM 1082 CB PRO B 2 11.571 -16.087 -7.949 1.00 1.96 C ATOM 1083 CG PRO B 2 12.644 -16.132 -9.077 1.00 2.21 C ATOM 1084 CD PRO B 2 11.897 -16.229 -10.426 1.00 2.60 C ATOM 0 HA PRO B 2 9.547 -16.858 -8.297 1.00 2.14 H new ATOM 0 HB2 PRO B 2 11.719 -15.214 -7.314 1.00 1.96 H new ATOM 0 HB3 PRO B 2 11.652 -16.965 -7.308 1.00 1.96 H new ATOM 0 HG2 PRO B 2 13.268 -15.239 -9.048 1.00 2.21 H new ATOM 0 HG3 PRO B 2 13.306 -16.988 -8.943 1.00 2.21 H new ATOM 0 HD2 PRO B 2 12.220 -15.448 -11.114 1.00 2.60 H new ATOM 0 HD3 PRO B 2 12.088 -17.184 -10.916 1.00 2.60 H new ATOM 1092 N MET B 3 8.797 -14.694 -7.150 1.00 1.69 N ATOM 1093 CA MET B 3 8.051 -13.464 -6.760 1.00 1.53 C ATOM 1094 C MET B 3 9.035 -12.422 -6.222 1.00 1.17 C ATOM 1095 O MET B 3 10.151 -12.739 -5.862 1.00 0.99 O ATOM 1096 CB MET B 3 7.029 -13.809 -5.674 1.00 1.63 C ATOM 1097 CG MET B 3 6.197 -15.015 -6.116 1.00 2.15 C ATOM 1098 SD MET B 3 5.275 -14.595 -7.616 1.00 2.54 S ATOM 1099 CE MET B 3 4.498 -16.211 -7.863 1.00 3.59 C ATOM 0 H MET B 3 8.762 -15.455 -6.472 1.00 1.69 H new ATOM 0 HA MET B 3 7.533 -13.061 -7.630 1.00 1.53 H new ATOM 0 HB2 MET B 3 7.540 -14.031 -4.737 1.00 1.63 H new ATOM 0 HB3 MET B 3 6.379 -12.954 -5.488 1.00 1.63 H new ATOM 0 HG2 MET B 3 6.847 -15.870 -6.303 1.00 2.15 H new ATOM 0 HG3 MET B 3 5.509 -15.306 -5.323 1.00 2.15 H new ATOM 0 HE1 MET B 3 3.870 -16.180 -8.753 1.00 3.59 H new ATOM 0 HE2 MET B 3 5.270 -16.970 -7.989 1.00 3.59 H new ATOM 0 HE3 MET B 3 3.886 -16.457 -6.995 1.00 3.59 H new ATOM 1109 N GLY B 4 8.629 -11.182 -6.163 1.00 1.14 N ATOM 1110 CA GLY B 4 9.544 -10.126 -5.644 1.00 0.89 C ATOM 1111 C GLY B 4 10.078 -10.545 -4.274 1.00 0.62 C ATOM 1112 O GLY B 4 9.803 -11.629 -3.798 1.00 0.70 O ATOM 0 H GLY B 4 7.706 -10.856 -6.451 1.00 1.14 H new ATOM 0 HA2 GLY B 4 10.371 -9.973 -6.338 1.00 0.89 H new ATOM 0 HA3 GLY B 4 9.014 -9.177 -5.565 1.00 0.89 H new ATOM 1116 N SER B 5 10.845 -9.701 -3.633 1.00 0.44 N ATOM 1117 CA SER B 5 11.399 -10.062 -2.295 1.00 0.30 C ATOM 1118 C SER B 5 10.403 -9.664 -1.192 1.00 0.27 C ATOM 1119 O SER B 5 9.813 -10.508 -0.546 1.00 0.30 O ATOM 1120 CB SER B 5 12.751 -9.355 -2.099 1.00 0.49 C ATOM 1121 OG SER B 5 13.762 -10.336 -1.909 1.00 1.52 O ATOM 0 H SER B 5 11.111 -8.779 -3.978 1.00 0.44 H new ATOM 0 HA SER B 5 11.556 -11.139 -2.236 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.983 -8.738 -2.967 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.706 -8.689 -1.238 1.00 0.49 H new ATOM 0 HG SER B 5 14.628 -9.894 -1.785 1.00 1.52 H new ATOM 1127 N ASP B 6 10.210 -8.389 -0.969 1.00 0.24 N ATOM 1128 CA ASP B 6 9.251 -7.952 0.097 1.00 0.23 C ATOM 1129 C ASP B 6 8.760 -6.526 -0.196 1.00 0.21 C ATOM 1130 O ASP B 6 9.115 -5.605 0.514 1.00 0.20 O ATOM 1131 CB ASP B 6 9.951 -7.966 1.464 1.00 0.25 C ATOM 1132 CG ASP B 6 10.755 -9.258 1.622 1.00 1.26 C ATOM 1133 OD1 ASP B 6 11.828 -9.339 1.046 1.00 2.03 O ATOM 1134 OD2 ASP B 6 10.283 -10.145 2.314 1.00 2.00 O ATOM 0 H ASP B 6 10.671 -7.633 -1.475 1.00 0.24 H new ATOM 0 HA ASP B 6 8.404 -8.637 0.110 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.611 -7.103 1.554 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.212 -7.887 2.262 1.00 0.25 H new ATOM 1139 N PRO B 7 7.962 -6.374 -1.230 1.00 0.22 N ATOM 1140 CA PRO B 7 7.434 -5.048 -1.605 1.00 0.22 C ATOM 1141 C PRO B 7 6.498 -4.524 -0.491 1.00 0.20 C ATOM 1142 O PRO B 7 6.143 -5.268 0.402 1.00 0.20 O ATOM 1143 CB PRO B 7 6.664 -5.290 -2.927 1.00 0.25 C ATOM 1144 CG PRO B 7 6.739 -6.814 -3.244 1.00 0.27 C ATOM 1145 CD PRO B 7 7.532 -7.489 -2.102 1.00 0.26 C ATOM 0 HA PRO B 7 8.214 -4.298 -1.732 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.627 -4.970 -2.830 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.103 -4.708 -3.738 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.738 -7.239 -3.319 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.230 -6.982 -4.203 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.912 -8.201 -1.557 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.388 -8.042 -2.488 1.00 0.26 H new ATOM 1153 N PRO B 8 6.119 -3.261 -0.574 1.00 0.21 N ATOM 1154 CA PRO B 8 5.221 -2.652 0.432 1.00 0.22 C ATOM 1155 C PRO B 8 3.860 -3.368 0.423 1.00 0.22 C ATOM 1156 O PRO B 8 3.740 -4.490 -0.025 1.00 0.22 O ATOM 1157 CB PRO B 8 5.080 -1.173 -0.005 1.00 0.24 C ATOM 1158 CG PRO B 8 5.812 -1.019 -1.369 1.00 0.26 C ATOM 1159 CD PRO B 8 6.547 -2.347 -1.655 1.00 0.24 C ATOM 0 HA PRO B 8 5.608 -2.734 1.448 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.029 -0.899 -0.100 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.516 -0.509 0.742 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.099 -0.797 -2.163 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.519 -0.190 -1.333 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.281 -2.743 -2.635 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.628 -2.209 -1.650 1.00 0.24 H new ATOM 1167 N THR B 9 2.836 -2.719 0.917 1.00 0.23 N ATOM 1168 CA THR B 9 1.486 -3.355 0.941 1.00 0.24 C ATOM 1169 C THR B 9 0.407 -2.273 0.940 1.00 0.24 C ATOM 1170 O THR B 9 0.408 -1.376 1.760 1.00 0.25 O ATOM 1171 CB THR B 9 1.349 -4.205 2.202 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.493 -5.036 2.338 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.093 -5.074 2.103 1.00 0.29 C ATOM 0 H THR B 9 2.878 -1.776 1.304 1.00 0.23 H new ATOM 0 HA THR B 9 1.368 -3.984 0.059 1.00 0.24 H new ATOM 0 HB THR B 9 1.268 -3.553 3.072 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.491 -5.453 3.225 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.002 -5.680 3.004 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.784 -4.435 2.001 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.170 -5.727 1.234 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.514 -2.354 0.023 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.601 -1.340 -0.044 1.00 0.23 C ATOM 1183 C ALA B 10 -2.535 -1.500 1.155 1.00 0.22 C ATOM 1184 O ALA B 10 -3.587 -2.101 1.054 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.394 -1.541 -1.333 1.00 0.23 C ATOM 0 H ALA B 10 -0.561 -3.084 -0.688 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.165 -0.341 -0.028 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.192 -0.801 -1.388 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.731 -1.424 -2.190 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.826 -2.542 -1.342 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.165 -0.956 2.287 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.030 -1.056 3.504 1.00 0.25 C ATOM 1193 C CYS B 11 -3.627 0.322 3.795 1.00 0.25 C ATOM 1194 O CYS B 11 -2.950 1.329 3.719 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.180 -1.508 4.694 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.263 -3.005 4.248 1.00 0.34 S ATOM 0 H CYS B 11 -1.294 -0.443 2.422 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.829 -1.779 3.338 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.488 -0.717 4.981 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.817 -1.703 5.557 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.889 0.381 4.120 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.519 1.700 4.406 1.00 0.24 C ATOM 1203 C CYS B 12 -5.000 2.235 5.741 1.00 0.24 C ATOM 1204 O CYS B 12 -4.763 1.489 6.670 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.041 1.541 4.480 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.681 1.073 2.852 1.00 0.24 S ATOM 0 H CYS B 12 -5.509 -0.425 4.200 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.266 2.399 3.609 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.302 0.782 5.217 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.499 2.474 4.808 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.831 3.529 5.844 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.334 4.134 7.119 1.00 0.27 C ATOM 1213 C PHE B 13 -5.518 4.761 7.856 1.00 0.24 C ATOM 1214 O PHE B 13 -5.456 5.043 9.037 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.302 5.220 6.796 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.975 6.348 6.051 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.274 6.206 4.683 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.307 7.538 6.726 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.907 7.254 3.989 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.940 8.588 6.032 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.240 8.446 4.663 1.00 0.37 C ATOM 0 H PHE B 13 -5.017 4.197 5.096 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.870 3.369 7.741 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.852 5.594 7.716 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.495 4.802 6.194 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -4.018 5.293 4.166 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.076 7.646 7.776 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.138 7.145 2.940 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.195 9.501 6.549 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.725 9.250 4.130 1.00 0.37 H new ATOM 1231 N SER B 14 -6.600 4.975 7.159 1.00 0.21 N ATOM 1232 CA SER B 14 -7.803 5.579 7.795 1.00 0.20 C ATOM 1233 C SER B 14 -9.037 5.203 6.974 1.00 0.18 C ATOM 1234 O SER B 14 -9.055 4.197 6.292 1.00 0.17 O ATOM 1235 CB SER B 14 -7.656 7.100 7.831 1.00 0.20 C ATOM 1236 OG SER B 14 -7.904 7.626 6.534 1.00 0.25 O ATOM 0 H SER B 14 -6.702 4.755 6.168 1.00 0.21 H new ATOM 0 HA SER B 14 -7.908 5.207 8.814 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.355 7.528 8.549 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.654 7.372 8.161 1.00 0.20 H new ATOM 0 HG SER B 14 -7.065 7.955 6.149 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.070 5.999 7.027 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.301 5.680 6.244 1.00 0.20 C ATOM 1244 C TYR B 15 -12.063 6.973 5.947 1.00 0.24 C ATOM 1245 O TYR B 15 -11.911 7.965 6.632 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.198 4.732 7.052 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.347 3.707 7.762 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.930 2.545 7.085 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.970 3.914 9.103 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.136 1.591 7.749 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.177 2.960 9.767 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.759 1.798 9.090 1.00 0.27 C ATOM 1253 OH TYR B 15 -8.981 0.862 9.740 1.00 0.32 O ATOM 0 H TYR B 15 -10.116 6.856 7.578 1.00 0.19 H new ATOM 0 HA TYR B 15 -11.019 5.198 5.308 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.782 5.299 7.777 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.907 4.235 6.390 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.219 2.386 6.057 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.290 4.805 9.622 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.816 0.700 7.230 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.889 3.119 10.796 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.811 1.159 10.658 1.00 0.32 H new ATOM 1263 N THR B 16 -12.885 6.968 4.935 1.00 0.22 N ATOM 1264 CA THR B 16 -13.655 8.200 4.607 1.00 0.28 C ATOM 1265 C THR B 16 -14.489 8.602 5.826 1.00 0.32 C ATOM 1266 O THR B 16 -14.284 8.106 6.916 1.00 0.38 O ATOM 1267 CB THR B 16 -14.565 7.933 3.399 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.459 9.023 3.225 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.365 6.648 3.619 1.00 0.27 C ATOM 0 H THR B 16 -13.056 6.169 4.324 1.00 0.22 H new ATOM 0 HA THR B 16 -12.973 9.012 4.354 1.00 0.28 H new ATOM 0 HB THR B 16 -13.947 7.821 2.508 1.00 0.28 H new ATOM 0 HG1 THR B 16 -14.947 9.845 3.073 1.00 0.39 H new ATOM 0 HG21 THR B 16 -16.007 6.467 2.757 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.680 5.810 3.743 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.979 6.750 4.514 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.426 9.497 5.655 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.275 9.938 6.802 1.00 0.42 C ATOM 1279 C ALA B 17 -17.709 10.111 6.312 1.00 0.45 C ATOM 1280 O ALA B 17 -18.548 10.677 6.986 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.753 11.274 7.333 1.00 0.50 C ATOM 0 H ALA B 17 -15.641 9.945 4.764 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.242 9.195 7.599 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.370 11.599 8.170 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.722 11.155 7.667 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.794 12.021 6.541 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.993 9.622 5.136 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.368 9.739 4.569 1.00 0.48 C ATOM 1289 C ARG B 18 -19.710 8.445 3.830 1.00 0.41 C ATOM 1290 O ARG B 18 -18.997 8.022 2.941 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.409 10.917 3.591 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.511 12.233 4.374 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.116 13.397 3.468 1.00 1.15 C ATOM 1294 NE ARG B 18 -19.515 14.683 4.104 1.00 1.96 N ATOM 1295 CZ ARG B 18 -19.015 15.808 3.673 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -18.163 15.805 2.684 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -19.364 16.935 4.229 1.00 3.63 N ATOM 0 H ARG B 18 -17.323 9.140 4.536 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.091 9.907 5.368 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.512 10.919 2.971 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.261 10.815 2.919 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -20.528 12.372 4.740 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -18.859 12.200 5.247 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -18.040 13.385 3.292 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -19.599 13.295 2.496 1.00 1.15 H new ATOM 0 HE ARG B 18 -20.180 14.684 4.877 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -17.889 14.924 2.249 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -17.771 16.684 2.346 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -20.029 16.938 5.002 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -18.972 17.814 3.890 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.791 7.812 4.189 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.167 6.546 3.503 1.00 0.35 C ATOM 1313 C LYS B 19 -21.445 6.841 2.027 1.00 0.31 C ATOM 1314 O LYS B 19 -22.200 7.731 1.691 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.413 5.956 4.173 1.00 0.38 C ATOM 1316 CG LYS B 19 -22.973 4.811 3.318 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.007 4.006 4.119 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.348 4.733 4.130 1.00 0.97 C ATOM 1319 NZ LYS B 19 -25.814 4.948 2.731 1.00 1.79 N ATOM 0 H LYS B 19 -21.428 8.115 4.925 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.354 5.824 3.576 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.162 5.589 5.168 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.170 6.730 4.300 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.434 5.213 2.416 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.162 4.157 2.997 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -24.126 3.015 3.681 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -23.655 3.862 5.140 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -26.084 4.150 4.683 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.250 5.690 4.642 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -26.844 5.088 2.726 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -25.348 5.789 2.335 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -25.575 4.116 2.154 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.827 6.104 1.145 1.00 0.27 N ATOM 1334 CA LEU B 20 -21.039 6.342 -0.309 1.00 0.27 C ATOM 1335 C LEU B 20 -22.438 5.829 -0.725 1.00 0.27 C ATOM 1336 O LEU B 20 -22.717 4.663 -0.529 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.986 5.562 -1.100 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.609 5.738 -0.458 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.558 5.071 -1.343 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.286 7.229 -0.322 1.00 0.27 C ATOM 0 H LEU B 20 -20.183 5.346 1.370 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.960 7.410 -0.513 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.250 4.505 -1.128 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.962 5.912 -2.132 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.608 5.280 0.531 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.573 5.192 -0.892 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.785 4.009 -1.440 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.565 5.535 -2.329 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.304 7.348 0.136 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.285 7.693 -1.309 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -19.039 7.709 0.304 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.284 6.668 -1.306 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.615 6.203 -1.740 1.00 0.34 C ATOM 1354 C PRO B 21 -24.453 5.022 -2.700 1.00 0.30 C ATOM 1355 O PRO B 21 -23.518 4.968 -3.471 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.248 7.415 -2.462 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.305 8.631 -2.240 1.00 0.42 C ATOM 1358 CD PRO B 21 -23.017 8.102 -1.573 1.00 0.35 C ATOM 0 HA PRO B 21 -25.236 5.864 -0.911 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.366 7.210 -3.526 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.242 7.622 -2.065 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -24.074 9.116 -3.189 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.785 9.378 -1.608 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.154 8.228 -2.227 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.800 8.641 -0.651 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.360 4.086 -2.676 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.249 2.936 -3.613 1.00 0.30 C ATOM 1368 C ARG B 22 -25.039 3.482 -5.029 1.00 0.31 C ATOM 1369 O ARG B 22 -24.370 2.883 -5.848 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.535 2.108 -3.567 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.370 0.857 -4.433 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.517 -0.115 -4.147 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.294 -1.381 -4.901 1.00 1.34 N ATOM 1374 CZ ARG B 22 -27.969 -2.453 -4.589 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -28.838 -2.416 -3.616 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -27.775 -3.562 -5.249 1.00 2.44 N ATOM 0 H ARG B 22 -26.167 4.068 -2.053 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.410 2.301 -3.328 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.760 1.824 -2.539 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.376 2.702 -3.925 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -26.365 1.130 -5.488 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.413 0.379 -4.223 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -27.576 -0.321 -3.078 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.468 0.332 -4.438 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.614 -1.409 -5.661 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -28.989 -1.549 -3.100 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -29.366 -3.254 -3.372 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -27.095 -3.591 -6.009 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -28.303 -4.400 -5.005 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.608 4.624 -5.312 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.451 5.229 -6.666 1.00 0.37 C ATOM 1392 C ASN B 23 -24.031 5.779 -6.828 1.00 0.37 C ATOM 1393 O ASN B 23 -23.755 6.543 -7.731 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.459 6.369 -6.834 1.00 0.42 C ATOM 1395 CG ASN B 23 -27.859 5.872 -6.471 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -28.735 5.818 -7.311 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -28.110 5.506 -5.243 1.00 2.38 N ATOM 0 H ASN B 23 -26.177 5.165 -4.661 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.630 4.466 -7.423 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -26.183 7.209 -6.196 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.446 6.731 -7.862 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -29.041 5.175 -4.990 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -27.375 5.551 -4.537 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.130 5.406 -5.954 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.723 5.917 -6.049 1.00 0.33 C ATOM 1406 C PHE B 24 -20.755 4.770 -5.737 1.00 0.30 C ATOM 1407 O PHE B 24 -19.668 4.980 -5.236 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.538 7.056 -5.029 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.377 7.950 -5.423 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.407 8.650 -6.647 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.270 8.094 -4.560 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.335 9.488 -7.007 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.198 8.933 -4.924 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.231 9.630 -6.146 1.00 0.41 C ATOM 0 H PHE B 24 -23.306 4.769 -5.177 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.522 6.294 -7.052 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.452 7.646 -4.967 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.361 6.638 -4.038 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.254 8.543 -7.309 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.244 7.561 -3.621 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.360 10.023 -7.945 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.350 9.041 -4.264 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.409 10.274 -6.423 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.147 3.556 -6.031 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.264 2.382 -5.757 1.00 0.28 C ATOM 1426 C VAL B 25 -20.538 1.292 -6.798 1.00 0.30 C ATOM 1427 O VAL B 25 -21.413 0.465 -6.628 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.562 1.834 -4.357 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.588 0.703 -4.027 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.402 2.948 -3.321 1.00 0.23 C ATOM 0 H VAL B 25 -22.047 3.327 -6.452 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.220 2.689 -5.812 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.584 1.456 -4.335 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.803 0.316 -3.031 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.698 -0.097 -4.759 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.567 1.082 -4.056 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.615 2.554 -2.327 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.381 3.328 -3.350 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.096 3.757 -3.547 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.801 1.286 -7.877 1.00 0.33 N ATOM 1441 CA VAL B 26 -20.018 0.253 -8.931 1.00 0.36 C ATOM 1442 C VAL B 26 -19.222 -1.004 -8.592 1.00 0.35 C ATOM 1443 O VAL B 26 -19.417 -2.049 -9.181 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.543 0.799 -10.278 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.546 1.828 -10.793 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.176 1.466 -10.101 1.00 0.61 C ATOM 0 H VAL B 26 -19.056 1.954 -8.074 1.00 0.33 H new ATOM 0 HA VAL B 26 -21.079 0.008 -8.983 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.461 -0.019 -10.994 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.207 2.217 -11.753 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.521 1.356 -10.916 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.627 2.647 -10.078 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.835 1.856 -11.060 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -18.260 2.284 -9.385 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.459 0.733 -9.732 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.322 -0.919 -7.656 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.517 -2.119 -7.300 1.00 0.31 C ATOM 1458 C ASP B 27 -16.720 -1.840 -6.030 1.00 0.27 C ATOM 1459 O ASP B 27 -16.896 -0.826 -5.386 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.550 -2.434 -8.446 1.00 0.34 C ATOM 1461 CG ASP B 27 -15.960 -3.831 -8.249 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.691 -4.791 -8.427 1.00 1.13 O ATOM 1463 OD2 ASP B 27 -14.787 -3.917 -7.925 1.00 1.09 O ATOM 0 H ASP B 27 -18.109 -0.075 -7.124 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.180 -2.968 -7.133 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.072 -2.380 -9.401 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.752 -1.692 -8.477 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.838 -2.729 -5.666 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.027 -2.507 -4.439 1.00 0.23 C ATOM 1470 C TYR B 28 -13.723 -3.293 -4.530 1.00 0.25 C ATOM 1471 O TYR B 28 -13.414 -3.905 -5.532 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.816 -2.936 -3.196 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.911 -4.446 -3.117 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.618 -5.164 -4.101 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.301 -5.136 -2.049 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.715 -6.565 -4.019 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.399 -6.535 -1.964 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.106 -7.252 -2.949 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.202 -8.627 -2.866 1.00 0.28 O ATOM 0 H TYR B 28 -15.645 -3.598 -6.165 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.797 -1.445 -4.356 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.331 -2.550 -2.300 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.817 -2.505 -3.227 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.086 -4.638 -4.920 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.757 -4.587 -1.294 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.256 -7.114 -4.775 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -14.932 -7.060 -1.144 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.726 -8.941 -2.069 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.953 -3.257 -3.488 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.652 -3.972 -3.484 1.00 0.25 C ATOM 1491 C TYR B 29 -11.203 -4.150 -2.028 1.00 0.22 C ATOM 1492 O TYR B 29 -11.307 -3.243 -1.230 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.642 -3.126 -4.279 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.225 -3.519 -3.936 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.731 -4.773 -4.337 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.401 -2.633 -3.216 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.411 -5.144 -4.017 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.081 -3.001 -2.896 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.585 -4.258 -3.296 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.291 -4.622 -2.982 1.00 0.39 O ATOM 0 H TYR B 29 -13.171 -2.757 -2.626 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.730 -4.956 -3.946 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.812 -3.258 -5.348 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.794 -2.069 -4.060 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.364 -5.451 -4.890 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.782 -1.670 -2.909 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.031 -6.107 -4.324 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.449 -2.321 -2.344 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.859 -3.897 -2.484 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.717 -5.307 -1.666 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.274 -5.525 -0.252 1.00 0.20 C ATOM 1512 C GLU B 30 -8.766 -5.268 -0.141 1.00 0.21 C ATOM 1513 O GLU B 30 -8.034 -5.366 -1.105 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.583 -6.966 0.164 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.073 -7.100 0.491 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.448 -8.580 0.571 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -12.761 -9.149 -0.461 1.00 1.43 O ATOM 1518 OE2 GLU B 30 -12.415 -9.121 1.665 1.00 1.35 O ATOM 0 H GLU B 30 -10.606 -6.111 -2.284 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.806 -4.837 0.405 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.314 -7.652 -0.639 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -9.984 -7.241 1.032 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.294 -6.607 1.437 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.670 -6.604 -0.274 1.00 0.25 H new ATOM 1525 N THR B 31 -8.306 -4.929 1.032 1.00 0.19 N ATOM 1526 CA THR B 31 -6.852 -4.650 1.227 1.00 0.21 C ATOM 1527 C THR B 31 -6.052 -5.953 1.202 1.00 0.25 C ATOM 1528 O THR B 31 -6.529 -6.985 0.776 1.00 0.27 O ATOM 1529 CB THR B 31 -6.655 -3.975 2.585 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.329 -4.734 3.572 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.221 -2.554 2.537 1.00 0.20 C ATOM 0 H THR B 31 -8.878 -4.832 1.871 1.00 0.19 H new ATOM 0 HA THR B 31 -6.503 -4.002 0.423 1.00 0.21 H new ATOM 0 HB THR B 31 -5.594 -3.922 2.827 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.398 -5.666 3.277 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.080 -2.073 3.505 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.702 -1.981 1.769 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.285 -2.594 2.303 1.00 0.20 H new ATOM 1539 N SER B 32 -4.831 -5.901 1.663 1.00 0.27 N ATOM 1540 CA SER B 32 -3.973 -7.118 1.684 1.00 0.31 C ATOM 1541 C SER B 32 -4.211 -7.891 2.979 1.00 0.33 C ATOM 1542 O SER B 32 -5.319 -7.987 3.468 1.00 0.33 O ATOM 1543 CB SER B 32 -2.508 -6.693 1.617 1.00 0.33 C ATOM 1544 OG SER B 32 -2.314 -5.843 0.495 1.00 1.27 O ATOM 0 H SER B 32 -4.388 -5.058 2.029 1.00 0.27 H new ATOM 0 HA SER B 32 -4.218 -7.753 0.833 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.226 -6.174 2.533 1.00 0.33 H new ATOM 0 HB3 SER B 32 -1.867 -7.571 1.537 1.00 0.33 H new ATOM 0 HG SER B 32 -1.548 -6.160 -0.027 1.00 1.27 H new ATOM 1550 N SER B 33 -3.169 -8.442 3.534 1.00 0.36 N ATOM 1551 CA SER B 33 -3.299 -9.220 4.803 1.00 0.40 C ATOM 1552 C SER B 33 -2.043 -9.008 5.642 1.00 0.40 C ATOM 1553 O SER B 33 -2.096 -8.934 6.854 1.00 0.42 O ATOM 1554 CB SER B 33 -3.427 -10.702 4.468 1.00 0.46 C ATOM 1555 OG SER B 33 -2.134 -11.238 4.219 1.00 0.48 O ATOM 0 H SER B 33 -2.221 -8.388 3.161 1.00 0.36 H new ATOM 0 HA SER B 33 -4.178 -8.888 5.355 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.902 -11.234 5.293 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.064 -10.836 3.594 1.00 0.46 H new ATOM 0 HG SER B 33 -2.211 -12.191 4.005 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.916 -8.917 4.991 1.00 0.39 N ATOM 1562 CA LEU B 34 0.378 -8.714 5.711 1.00 0.39 C ATOM 1563 C LEU B 34 0.195 -7.723 6.862 1.00 0.37 C ATOM 1564 O LEU B 34 0.480 -8.019 8.004 1.00 0.40 O ATOM 1565 CB LEU B 34 1.420 -8.155 4.738 1.00 0.36 C ATOM 1566 CG LEU B 34 1.343 -8.892 3.401 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.505 -8.448 2.510 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.428 -10.403 3.641 1.00 0.45 C ATOM 0 H LEU B 34 -0.834 -8.975 3.976 1.00 0.39 H new ATOM 0 HA LEU B 34 0.711 -9.672 6.110 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.250 -7.089 4.584 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.418 -8.261 5.163 1.00 0.36 H new ATOM 0 HG LEU B 34 0.398 -8.658 2.911 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.453 -8.972 1.556 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.442 -7.374 2.338 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.450 -8.682 3.001 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.373 -10.927 2.687 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.372 -10.641 4.132 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.600 -10.718 4.276 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.276 -6.547 6.563 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.473 -5.533 7.633 1.00 0.34 C ATOM 1582 C CYS B 35 -1.629 -5.975 8.537 1.00 0.39 C ATOM 1583 O CYS B 35 -2.688 -6.339 8.076 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.787 -4.172 7.001 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.886 -4.394 5.579 1.00 0.40 S ATOM 0 H CYS B 35 -0.533 -6.244 5.624 1.00 0.33 H new ATOM 0 HA CYS B 35 0.435 -5.442 8.228 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.257 -3.519 7.737 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.136 -3.685 6.686 1.00 0.32 H new ATOM 1590 N SER B 36 -1.415 -5.973 9.822 1.00 0.44 N ATOM 1591 CA SER B 36 -2.484 -6.405 10.770 1.00 0.51 C ATOM 1592 C SER B 36 -3.672 -5.431 10.754 1.00 0.51 C ATOM 1593 O SER B 36 -4.321 -5.238 11.763 1.00 0.58 O ATOM 1594 CB SER B 36 -1.906 -6.467 12.183 1.00 0.59 C ATOM 1595 OG SER B 36 -2.955 -6.715 13.109 1.00 1.41 O ATOM 0 H SER B 36 -0.540 -5.689 10.262 1.00 0.44 H new ATOM 0 HA SER B 36 -2.841 -7.387 10.459 1.00 0.51 H new ATOM 0 HB2 SER B 36 -1.155 -7.255 12.247 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.406 -5.529 12.425 1.00 0.59 H new ATOM 0 HG SER B 36 -3.641 -6.020 13.020 1.00 1.41 H new ATOM 1601 N GLN B 37 -3.979 -4.807 9.641 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.137 -3.857 9.635 1.00 0.47 C ATOM 1603 C GLN B 37 -5.737 -3.725 8.227 1.00 0.36 C ATOM 1604 O GLN B 37 -5.696 -2.658 7.650 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.661 -2.481 10.112 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.358 -2.107 9.400 1.00 0.78 C ATOM 1607 CD GLN B 37 -2.901 -0.725 9.869 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -2.872 -0.451 11.052 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -2.539 0.164 8.985 1.00 1.48 N ATOM 0 H GLN B 37 -3.489 -4.911 8.753 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.906 -4.245 10.302 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.425 -1.731 9.909 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.506 -2.494 11.191 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.588 -2.849 9.614 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.508 -2.105 8.320 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -2.563 -0.066 7.991 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -2.232 1.088 9.288 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.303 -4.798 7.714 1.00 0.34 N ATOM 1619 CA PRO B 38 -6.936 -4.772 6.382 1.00 0.26 C ATOM 1620 C PRO B 38 -8.194 -3.891 6.441 1.00 0.25 C ATOM 1621 O PRO B 38 -8.556 -3.376 7.480 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.301 -6.247 6.091 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.029 -7.060 7.391 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.354 -6.106 8.403 1.00 0.43 C ATOM 0 HA PRO B 38 -6.291 -4.362 5.605 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.347 -6.333 5.797 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.705 -6.634 5.265 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -7.960 -7.455 7.798 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.385 -7.914 7.181 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -6.925 -6.043 9.329 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.355 -6.453 8.668 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.856 -3.724 5.336 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.087 -2.896 5.306 1.00 0.22 C ATOM 1634 C ALA B 39 -10.768 -3.103 3.958 1.00 0.19 C ATOM 1635 O ALA B 39 -10.187 -3.658 3.046 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.719 -1.419 5.472 1.00 0.23 C ATOM 0 H ALA B 39 -8.592 -4.132 4.439 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.755 -3.186 6.117 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.625 -0.814 5.450 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.210 -1.276 6.425 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.059 -1.115 4.659 1.00 0.23 H new ATOM 1642 N VAL B 40 -11.982 -2.644 3.805 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.677 -2.801 2.492 1.00 0.13 C ATOM 1644 C VAL B 40 -12.522 -1.490 1.728 1.00 0.13 C ATOM 1645 O VAL B 40 -12.530 -0.422 2.309 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.165 -3.108 2.718 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.949 -2.869 1.424 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.317 -4.571 3.129 1.00 0.16 C ATOM 0 H VAL B 40 -12.521 -2.169 4.529 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.244 -3.626 1.926 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.552 -2.456 3.501 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.003 -3.089 1.592 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.839 -1.828 1.119 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.563 -3.520 0.639 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.371 -4.796 3.291 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.926 -5.213 2.340 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.762 -4.750 4.050 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.367 -1.569 0.434 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.192 -0.332 -0.392 1.00 0.16 C ATOM 1660 C VAL B 41 -13.313 -0.240 -1.429 1.00 0.16 C ATOM 1661 O VAL B 41 -13.467 -1.101 -2.265 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.832 -0.393 -1.093 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.440 0.999 -1.578 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.775 -0.893 -0.105 1.00 0.23 C ATOM 0 H VAL B 41 -12.354 -2.442 -0.093 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.234 0.550 0.247 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.896 -1.071 -1.944 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.472 0.951 -2.076 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.191 1.365 -2.278 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.377 1.677 -0.727 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.805 -0.938 -0.601 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.718 -0.210 0.743 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.048 -1.888 0.248 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.108 0.797 -1.378 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.229 0.929 -2.359 1.00 0.17 C ATOM 1676 C PHE B 42 -14.764 1.699 -3.599 1.00 0.21 C ATOM 1677 O PHE B 42 -14.130 2.732 -3.505 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.392 1.688 -1.709 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.141 0.779 -0.757 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.817 -0.355 -1.250 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.173 1.071 0.622 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.521 -1.196 -0.368 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.879 0.230 1.504 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.552 -0.903 1.008 1.00 0.14 C ATOM 0 H PHE B 42 -14.031 1.557 -0.702 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.552 -0.069 -2.656 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -16.014 2.557 -1.171 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.069 2.059 -2.478 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.795 -0.579 -2.306 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.656 1.940 1.002 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.037 -2.066 -0.747 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.904 0.454 2.560 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.093 -1.548 1.685 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.108 1.210 -4.761 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.733 1.905 -6.029 1.00 0.28 C ATOM 1696 C GLN B 43 -15.948 2.727 -6.474 1.00 0.30 C ATOM 1697 O GLN B 43 -17.034 2.193 -6.617 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.383 0.850 -7.083 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.120 0.099 -6.655 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.881 -1.077 -7.603 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.949 -0.926 -8.807 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.600 -2.252 -7.109 1.00 1.31 N ATOM 0 H GLN B 43 -15.639 0.348 -4.888 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.871 2.558 -5.892 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.211 0.151 -7.202 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.225 1.326 -8.051 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.262 0.771 -6.669 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.227 -0.261 -5.632 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -12.543 -2.380 -6.099 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.438 -3.042 -7.733 1.00 1.31 H new ATOM 1711 N THR B 44 -15.803 4.028 -6.646 1.00 0.32 N ATOM 1712 CA THR B 44 -16.999 4.866 -7.021 1.00 0.34 C ATOM 1713 C THR B 44 -17.060 5.150 -8.521 1.00 0.39 C ATOM 1714 O THR B 44 -16.426 4.498 -9.327 1.00 0.41 O ATOM 1715 CB THR B 44 -16.934 6.201 -6.281 1.00 0.34 C ATOM 1716 OG1 THR B 44 -16.073 7.081 -6.983 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.393 5.974 -4.867 1.00 0.29 C ATOM 0 H THR B 44 -14.925 4.538 -6.545 1.00 0.32 H new ATOM 0 HA THR B 44 -17.889 4.302 -6.743 1.00 0.34 H new ATOM 0 HB THR B 44 -17.931 6.637 -6.220 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.387 8.003 -6.873 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.346 6.926 -4.338 1.00 0.29 H new ATOM 0 HG22 THR B 44 -17.053 5.293 -4.330 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.394 5.542 -4.925 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.852 6.132 -8.888 1.00 0.43 N ATOM 1726 CA LYS B 45 -18.017 6.505 -10.325 1.00 0.48 C ATOM 1727 C LYS B 45 -17.224 7.777 -10.637 1.00 0.51 C ATOM 1728 O LYS B 45 -16.908 8.051 -11.779 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.492 6.784 -10.598 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.336 5.654 -10.032 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.804 5.904 -10.379 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.597 4.618 -10.187 1.00 0.54 C ATOM 1733 NZ LYS B 45 -22.371 3.715 -11.350 1.00 1.55 N ATOM 0 H LYS B 45 -18.398 6.698 -8.239 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.654 5.686 -10.946 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.783 7.732 -10.145 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.663 6.877 -11.670 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -20.010 4.699 -10.443 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -20.210 5.595 -8.951 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.210 6.692 -9.745 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.892 6.248 -11.410 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.291 4.124 -9.265 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -23.659 4.844 -10.090 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -22.615 2.740 -11.085 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -22.969 4.017 -12.146 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -21.371 3.757 -11.633 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.920 8.571 -9.636 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.169 9.847 -9.877 1.00 0.54 C ATOM 1749 C ARG B 46 -15.051 9.976 -8.839 1.00 0.49 C ATOM 1750 O ARG B 46 -14.940 10.956 -8.134 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.148 11.034 -9.760 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.614 12.279 -10.505 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.567 13.030 -9.665 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.527 14.467 -10.089 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.363 14.807 -11.341 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -15.026 13.916 -12.232 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.477 16.059 -11.691 1.00 2.82 N ATOM 0 H ARG B 46 -17.160 8.390 -8.661 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.728 9.844 -10.874 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -18.117 10.750 -10.170 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.305 11.276 -8.709 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.172 11.975 -11.454 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.442 12.948 -10.739 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.815 12.959 -8.606 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.586 12.574 -9.794 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.630 15.197 -9.384 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.888 12.944 -11.955 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -14.900 14.191 -13.206 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -15.693 16.767 -10.989 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -15.350 16.330 -12.666 1.00 2.82 H new ATOM 1771 N SER B 47 -14.212 8.988 -8.752 1.00 0.46 N ATOM 1772 CA SER B 47 -13.086 9.036 -7.792 1.00 0.42 C ATOM 1773 C SER B 47 -12.131 7.902 -8.139 1.00 0.42 C ATOM 1774 O SER B 47 -11.610 7.828 -9.234 1.00 0.46 O ATOM 1775 CB SER B 47 -13.599 8.888 -6.352 1.00 0.38 C ATOM 1776 OG SER B 47 -13.998 7.546 -6.119 1.00 1.07 O ATOM 0 H SER B 47 -14.261 8.138 -9.314 1.00 0.46 H new ATOM 0 HA SER B 47 -12.573 9.995 -7.859 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.818 9.172 -5.647 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.440 9.561 -6.185 1.00 0.38 H new ATOM 0 HG SER B 47 -14.893 7.402 -6.490 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.918 7.010 -7.232 1.00 0.38 N ATOM 1783 CA LYS B 48 -11.021 5.862 -7.498 1.00 0.40 C ATOM 1784 C LYS B 48 -11.390 4.762 -6.520 1.00 0.35 C ATOM 1785 O LYS B 48 -12.289 3.978 -6.752 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.560 6.272 -7.280 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.119 7.241 -8.381 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.591 7.345 -8.389 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.153 8.338 -9.468 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.709 8.659 -9.290 1.00 2.73 N ATOM 0 H LYS B 48 -12.332 7.024 -6.300 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.132 5.523 -8.528 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.447 6.743 -6.303 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.921 5.389 -7.284 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.475 6.893 -9.351 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.560 8.224 -8.213 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.233 7.671 -7.413 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.150 6.367 -8.580 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.323 7.915 -10.458 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.750 9.248 -9.404 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -5.410 9.334 -10.023 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -5.560 9.080 -8.351 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.147 7.788 -9.372 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.710 4.729 -5.406 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.993 3.711 -4.355 1.00 0.30 C ATOM 1806 C GLN B 49 -11.109 4.445 -3.011 1.00 0.25 C ATOM 1807 O GLN B 49 -10.424 5.422 -2.767 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.847 2.668 -4.320 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.007 2.763 -5.599 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.062 1.563 -5.680 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -7.349 1.401 -6.651 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -8.027 0.708 -4.695 1.00 1.52 N ATOM 0 H GLN B 49 -9.956 5.377 -5.176 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.922 3.180 -4.564 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -9.216 2.839 -3.448 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -10.261 1.665 -4.222 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -9.658 2.786 -6.473 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -8.435 3.691 -5.603 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -8.625 0.844 -3.880 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -7.401 -0.096 -4.740 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.981 3.995 -2.145 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.157 4.668 -0.817 1.00 0.19 C ATOM 1823 C VAL B 50 -12.165 3.614 0.281 1.00 0.16 C ATOM 1824 O VAL B 50 -12.933 2.680 0.245 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.489 5.426 -0.810 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.530 6.371 0.392 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.622 6.229 -2.112 1.00 0.31 C ATOM 0 H VAL B 50 -12.583 3.186 -2.299 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.339 5.367 -0.644 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.316 4.719 -0.737 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.477 6.911 0.398 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.435 5.794 1.312 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.707 7.083 0.324 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.568 6.770 -2.111 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.798 6.939 -2.187 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.594 5.549 -2.963 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.313 3.759 1.257 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.255 2.758 2.356 1.00 0.15 C ATOM 1839 C CYS B 51 -12.488 2.897 3.246 1.00 0.14 C ATOM 1840 O CYS B 51 -13.061 3.962 3.374 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.995 3.001 3.186 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.531 2.766 2.147 1.00 0.21 S ATOM 0 H CYS B 51 -10.652 4.531 1.340 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.231 1.753 1.934 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -10.005 4.011 3.595 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.967 2.315 4.033 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.909 1.820 3.856 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.116 1.869 4.734 1.00 0.13 C ATOM 1849 C ALA B 52 -13.912 0.941 5.934 1.00 0.15 C ATOM 1850 O ALA B 52 -13.444 -0.174 5.799 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.336 1.400 3.939 1.00 0.11 C ATOM 0 H ALA B 52 -12.466 0.904 3.783 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.271 2.890 5.083 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.220 1.434 4.576 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.483 2.053 3.079 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.175 0.378 3.595 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.264 1.396 7.107 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.097 0.549 8.322 1.00 0.22 C ATOM 1859 C ASP B 53 -15.088 -0.641 8.259 1.00 0.21 C ATOM 1860 O ASP B 53 -16.280 -0.410 8.263 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.418 1.393 9.558 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.946 0.659 10.815 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.991 -0.560 10.816 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -13.548 1.328 11.754 1.00 2.10 O ATOM 0 H ASP B 53 -14.661 2.320 7.276 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.075 0.175 8.373 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -13.928 2.364 9.486 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.490 1.581 9.615 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.607 -1.879 8.202 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.523 -3.039 8.141 1.00 0.24 C ATOM 1871 C PRO B 54 -16.394 -3.094 9.406 1.00 0.28 C ATOM 1872 O PRO B 54 -17.303 -3.893 9.510 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.602 -4.277 8.050 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.130 -3.774 8.089 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.167 -2.233 8.192 1.00 0.24 C ATOM 0 HA PRO B 54 -16.206 -2.984 7.293 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.795 -4.959 8.878 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.793 -4.830 7.130 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.601 -4.202 8.940 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.595 -4.085 7.192 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.670 -1.887 9.098 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.653 -1.769 7.350 1.00 0.24 H new ATOM 1883 N SER B 55 -16.111 -2.266 10.369 1.00 0.31 N ATOM 1884 CA SER B 55 -16.909 -2.286 11.627 1.00 0.36 C ATOM 1885 C SER B 55 -18.263 -1.610 11.399 1.00 0.36 C ATOM 1886 O SER B 55 -19.192 -1.797 12.159 1.00 0.40 O ATOM 1887 CB SER B 55 -16.147 -1.540 12.723 1.00 0.40 C ATOM 1888 OG SER B 55 -14.940 -2.233 13.011 1.00 1.42 O ATOM 0 H SER B 55 -15.361 -1.575 10.341 1.00 0.31 H new ATOM 0 HA SER B 55 -17.073 -3.320 11.930 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.927 -0.522 12.401 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.760 -1.465 13.621 1.00 0.40 H new ATOM 0 HG SER B 55 -14.231 -1.917 12.413 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.388 -0.831 10.359 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.692 -0.156 10.093 1.00 0.33 C ATOM 1896 C GLU B 56 -20.635 -1.134 9.386 1.00 0.33 C ATOM 1897 O GLU B 56 -20.362 -1.619 8.305 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.461 1.075 9.215 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.926 2.228 10.070 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.691 3.454 9.186 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -18.025 3.312 8.175 1.00 2.08 O ATOM 1902 OE2 GLU B 56 -19.182 4.514 9.537 1.00 2.01 O ATOM 0 H GLU B 56 -17.649 -0.633 9.685 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.141 0.158 11.035 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.752 0.839 8.421 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.393 1.370 8.733 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.636 2.468 10.861 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -17.996 1.933 10.556 1.00 0.35 H new ATOM 1909 N SER B 57 -21.736 -1.435 10.010 1.00 0.37 N ATOM 1910 CA SER B 57 -22.716 -2.392 9.424 1.00 0.38 C ATOM 1911 C SER B 57 -23.060 -2.029 7.975 1.00 0.35 C ATOM 1912 O SER B 57 -23.231 -2.897 7.142 1.00 0.34 O ATOM 1913 CB SER B 57 -23.995 -2.375 10.262 1.00 0.44 C ATOM 1914 OG SER B 57 -24.671 -1.141 10.061 1.00 1.37 O ATOM 0 H SER B 57 -22.004 -1.053 10.917 1.00 0.37 H new ATOM 0 HA SER B 57 -22.266 -3.385 9.428 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.640 -3.207 9.979 1.00 0.44 H new ATOM 0 HB3 SER B 57 -23.754 -2.503 11.317 1.00 0.44 H new ATOM 0 HG SER B 57 -25.492 -1.127 10.595 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.188 -0.768 7.660 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.550 -0.406 6.260 1.00 0.32 C ATOM 1922 C TRP B 58 -22.473 -0.913 5.305 1.00 0.27 C ATOM 1923 O TRP B 58 -22.749 -1.269 4.177 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.754 1.110 6.127 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.454 1.847 6.041 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.925 2.588 7.041 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.540 1.975 4.909 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.745 3.159 6.601 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.458 2.808 5.301 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.537 1.452 3.594 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.409 3.114 4.421 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.483 1.756 2.705 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.421 2.585 3.120 1.00 0.26 C ATOM 0 H TRP B 58 -23.060 0.016 8.300 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.494 -0.883 5.998 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.348 1.319 5.237 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.322 1.476 6.983 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.355 2.713 8.024 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.158 3.767 7.171 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.347 0.816 3.268 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.598 3.752 4.742 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.490 1.352 1.703 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.616 2.813 2.437 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.253 -0.978 5.749 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.177 -1.487 4.861 1.00 0.20 C ATOM 1946 C VAL B 59 -20.451 -2.957 4.569 1.00 0.22 C ATOM 1947 O VAL B 59 -20.393 -3.399 3.440 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.829 -1.334 5.561 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.717 -1.916 4.685 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.573 0.153 5.803 1.00 0.19 C ATOM 0 H VAL B 59 -20.955 -0.702 6.685 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.154 -0.924 3.928 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.841 -1.870 6.510 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.758 -1.803 5.191 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.911 -2.974 4.506 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.689 -1.386 3.733 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.613 0.280 6.303 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.558 0.680 4.849 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.366 0.561 6.430 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.772 -3.713 5.577 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.075 -5.153 5.349 1.00 0.28 C ATOM 1962 C GLN B 60 -22.342 -5.268 4.496 1.00 0.30 C ATOM 1963 O GLN B 60 -22.470 -6.148 3.667 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.296 -5.850 6.693 1.00 0.33 C ATOM 1965 CG GLN B 60 -20.124 -5.543 7.627 1.00 1.25 C ATOM 1966 CD GLN B 60 -20.207 -6.437 8.865 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.406 -5.959 9.963 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -20.063 -7.728 8.732 1.00 2.14 N ATOM 0 H GLN B 60 -20.838 -3.400 6.546 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.240 -5.627 4.833 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -22.230 -5.511 7.141 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -21.385 -6.926 6.546 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -19.180 -5.709 7.109 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.146 -4.494 7.922 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -19.896 -8.130 7.810 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -20.118 -8.334 9.550 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.281 -4.383 4.697 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.547 -4.430 3.908 1.00 0.33 C ATOM 1979 C GLU B 61 -24.258 -4.147 2.432 1.00 0.31 C ATOM 1980 O GLU B 61 -24.691 -4.868 1.556 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.519 -3.378 4.447 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.921 -3.646 3.897 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.521 -4.864 4.601 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.282 -5.969 4.142 1.00 2.03 O ATOM 1985 OE2 GLU B 61 -28.211 -4.671 5.589 1.00 1.99 O ATOM 0 H GLU B 61 -23.226 -3.625 5.377 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.988 -5.422 4.000 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.533 -3.406 5.537 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.188 -2.380 4.158 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -27.556 -2.774 4.051 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -26.874 -3.820 2.822 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.537 -3.098 2.149 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.227 -2.764 0.728 1.00 0.28 C ATOM 1994 C TYR B 62 -22.434 -3.910 0.092 1.00 0.28 C ATOM 1995 O TYR B 62 -22.591 -4.208 -1.075 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.401 -1.466 0.666 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.308 -0.249 0.744 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.264 -0.129 1.775 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.191 0.772 -0.223 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.096 1.006 1.836 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.024 1.904 -0.160 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.976 2.021 0.869 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.792 3.133 0.930 1.00 0.34 O ATOM 0 H TYR B 62 -23.148 -2.456 2.840 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.159 -2.622 0.181 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.685 -1.445 1.487 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.826 -1.439 -0.260 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.358 -0.908 2.518 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.460 0.684 -1.013 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.827 1.097 2.626 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.933 2.683 -0.902 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.578 3.737 0.188 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.595 -4.561 0.846 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.814 -5.687 0.275 1.00 0.28 C ATOM 2015 C VAL B 63 -21.789 -6.791 -0.109 1.00 0.32 C ATOM 2016 O VAL B 63 -21.652 -7.434 -1.129 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.827 -6.206 1.325 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -19.202 -7.520 0.848 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.722 -5.167 1.539 1.00 0.25 C ATOM 0 H VAL B 63 -21.418 -4.362 1.830 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.254 -5.360 -0.601 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.357 -6.380 2.262 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.501 -7.883 1.600 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.986 -8.261 0.695 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.673 -7.352 -0.090 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -18.018 -5.533 2.286 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.197 -4.995 0.599 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.163 -4.232 1.884 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.779 -7.004 0.705 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.776 -8.057 0.402 1.00 0.38 C ATOM 2031 C TYR B 64 -24.500 -7.701 -0.894 1.00 0.39 C ATOM 2032 O TYR B 64 -24.732 -8.536 -1.744 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.788 -8.138 1.549 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.527 -9.457 1.491 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.874 -10.647 1.866 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.868 -9.497 1.062 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.560 -11.874 1.812 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.555 -10.724 1.009 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.901 -11.913 1.384 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.574 -13.117 1.332 1.00 0.60 O ATOM 0 H TYR B 64 -22.940 -6.491 1.571 1.00 0.34 H new ATOM 0 HA TYR B 64 -23.277 -9.020 0.289 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -24.275 -8.040 2.506 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.495 -7.311 1.481 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.846 -10.618 2.195 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.369 -8.585 0.773 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -25.058 -12.786 2.099 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.583 -10.754 0.681 1.00 0.54 H new ATOM 0 HH TYR B 64 -28.490 -12.967 1.017 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.855 -6.459 -1.043 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.566 -6.023 -2.277 1.00 0.37 C ATOM 2052 C ASP B 65 -24.675 -6.276 -3.494 1.00 0.37 C ATOM 2053 O ASP B 65 -25.145 -6.601 -4.567 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.880 -4.526 -2.169 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.115 -4.317 -1.289 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -28.071 -5.056 -1.458 1.00 1.15 O ATOM 2057 OD2 ASP B 65 -27.083 -3.422 -0.460 1.00 1.11 O ATOM 0 H ASP B 65 -24.683 -5.721 -0.360 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.493 -6.585 -2.389 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -25.027 -3.996 -1.746 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -26.054 -4.109 -3.161 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.391 -6.130 -3.334 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.460 -6.359 -4.473 1.00 0.34 C ATOM 2064 C LEU B 66 -22.376 -7.859 -4.769 1.00 0.39 C ATOM 2065 O LEU B 66 -22.170 -8.269 -5.895 1.00 0.42 O ATOM 2066 CB LEU B 66 -21.074 -5.823 -4.091 1.00 0.31 C ATOM 2067 CG LEU B 66 -21.019 -4.293 -4.288 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.901 -3.703 -3.424 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.725 -3.959 -5.762 1.00 0.30 C ATOM 0 H LEU B 66 -22.943 -5.860 -2.458 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.821 -5.843 -5.363 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.854 -6.071 -3.053 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.310 -6.303 -4.702 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.981 -3.870 -4.000 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.864 -2.623 -3.565 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.096 -3.926 -2.375 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.946 -4.140 -3.716 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.688 -2.877 -5.890 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.766 -4.391 -6.049 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.512 -4.372 -6.393 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.542 -8.679 -3.772 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.479 -10.151 -3.999 1.00 0.45 C ATOM 2083 C GLU B 67 -23.739 -10.596 -4.737 1.00 0.50 C ATOM 2084 O GLU B 67 -23.735 -11.563 -5.473 1.00 0.55 O ATOM 2085 CB GLU B 67 -22.403 -10.872 -2.652 1.00 0.46 C ATOM 2086 CG GLU B 67 -21.037 -10.620 -2.018 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.871 -11.513 -0.787 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -21.880 -11.929 -0.241 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -19.739 -11.766 -0.412 1.00 1.88 O ATOM 0 H GLU B 67 -22.719 -8.395 -2.808 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.597 -10.393 -4.592 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -23.194 -10.516 -1.992 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.560 -11.942 -2.790 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -20.246 -10.827 -2.739 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.944 -9.572 -1.735 1.00 0.44 H new ATOM 2096 N LEU B 68 -24.818 -9.893 -4.546 1.00 0.49 N ATOM 2097 CA LEU B 68 -26.084 -10.265 -5.238 1.00 0.54 C ATOM 2098 C LEU B 68 -26.023 -9.802 -6.694 1.00 0.56 C ATOM 2099 O LEU B 68 -25.668 -10.552 -7.581 1.00 0.62 O ATOM 2100 CB LEU B 68 -27.268 -9.597 -4.545 1.00 0.55 C ATOM 2101 CG LEU B 68 -27.376 -10.097 -3.101 1.00 0.55 C ATOM 2102 CD1 LEU B 68 -28.510 -9.347 -2.412 1.00 0.56 C ATOM 2103 CD2 LEU B 68 -27.669 -11.612 -3.075 1.00 0.61 C ATOM 0 H LEU B 68 -24.879 -9.075 -3.940 1.00 0.49 H new ATOM 0 HA LEU B 68 -26.208 -11.347 -5.201 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -27.143 -8.514 -4.556 1.00 0.55 H new ATOM 0 HB3 LEU B 68 -28.189 -9.817 -5.085 1.00 0.55 H new ATOM 0 HG LEU B 68 -26.433 -9.919 -2.584 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -28.601 -9.691 -1.382 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -28.297 -8.278 -2.420 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -29.444 -9.535 -2.941 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -27.743 -11.951 -2.042 1.00 0.61 H new ATOM 0 HD22 LEU B 68 -28.609 -11.810 -3.589 1.00 0.61 H new ATOM 0 HD23 LEU B 68 -26.862 -12.147 -3.576 1.00 0.61 H new ATOM 2115 N ASN B 69 -26.367 -8.568 -6.948 1.00 0.61 N ATOM 2116 CA ASN B 69 -26.331 -8.047 -8.346 1.00 0.64 C ATOM 2117 C ASN B 69 -24.945 -7.470 -8.639 1.00 0.70 C ATOM 2118 O ASN B 69 -24.365 -6.887 -7.737 1.00 1.15 O ATOM 2119 CB ASN B 69 -27.384 -6.948 -8.505 1.00 0.82 C ATOM 2120 CG ASN B 69 -28.741 -7.467 -8.029 1.00 1.67 C ATOM 2121 OD1 ASN B 69 -29.613 -6.695 -7.683 1.00 2.45 O ATOM 2122 ND2 ASN B 69 -28.960 -8.753 -7.996 1.00 2.41 N ATOM 2123 OXT ASN B 69 -24.487 -7.619 -9.760 1.00 1.44 O ATOM 0 H ASN B 69 -26.673 -7.895 -6.245 1.00 0.61 H new ATOM 0 HA ASN B 69 -26.542 -8.858 -9.043 1.00 0.64 H new ATOM 0 HB2 ASN B 69 -27.097 -6.069 -7.928 1.00 0.82 H new ATOM 0 HB3 ASN B 69 -27.447 -6.639 -9.548 1.00 0.82 H new ATOM 0 HD21 ASN B 69 -29.862 -9.109 -7.680 1.00 2.41 H new ATOM 0 HD22 ASN B 69 -28.229 -9.402 -8.286 1.00 2.41 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.229 1.576 5.628 1.00 0.36 O HETATM 2134 O HOH A 202 4.153 5.697 6.372 1.00 0.70 O HETATM 2137 O HOH B 301 -6.341 -1.437 5.630 1.00 0.35 O HETATM 2140 O HOH B 302 -4.277 -5.550 6.441 1.00 1.65 O