USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Set 2.1: A 29 GLN : amide:sc= 0 K(o=-0.21,f=-0.89) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= -0.208 USER MOD Set 3.1: A 7 THR OG1 : rot -112:sc= 1.15 USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.96 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 11 CYS SG : rot 141:sc= -0.997 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 90:sc= 0.741 USER MOD Single : A 17 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.057) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0.923) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.452 (180deg=-2.05!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 48 THR OG1 : rot 161:sc= 0.23 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 54 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.374 1.059 -1.284 1.00 0.00 N ATOM 35 CA HIS A 3 -3.235 2.180 -0.940 1.00 0.00 C ATOM 36 C HIS A 3 -3.075 3.321 -1.936 1.00 0.00 C ATOM 37 O HIS A 3 -1.960 3.749 -2.231 1.00 0.00 O ATOM 38 CB HIS A 3 -2.920 2.694 0.468 1.00 0.00 C ATOM 39 CG HIS A 3 -3.671 2.003 1.566 1.00 0.00 C ATOM 40 ND1 HIS A 3 -4.922 2.395 1.998 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.322 0.956 2.347 1.00 0.00 C ATOM 42 CE1 HIS A 3 -5.301 1.621 2.999 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.347 0.738 3.232 1.00 0.00 N ATOM 0 HA HIS A 3 -4.264 1.822 -0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.851 2.583 0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.141 3.761 0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.402 0.393 2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.234 1.697 3.537 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.369 0.014 3.950 1.00 0.00 H new ATOM 52 N LEU A 4 -4.193 3.790 -2.461 1.00 0.00 N ATOM 53 CA LEU A 4 -4.221 5.011 -3.252 1.00 0.00 C ATOM 54 C LEU A 4 -5.361 5.878 -2.745 1.00 0.00 C ATOM 55 O LEU A 4 -6.409 5.359 -2.359 1.00 0.00 O ATOM 56 CB LEU A 4 -4.381 4.713 -4.750 1.00 0.00 C ATOM 57 CG LEU A 4 -5.209 3.475 -5.096 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.174 3.792 -6.223 1.00 0.00 C ATOM 59 CD2 LEU A 4 -4.301 2.319 -5.487 1.00 0.00 C ATOM 0 H LEU A 4 -5.102 3.340 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.272 5.536 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.840 5.579 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.389 4.597 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.781 3.181 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.759 2.904 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.843 4.595 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.614 4.105 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.907 1.446 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.706 2.601 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.638 2.080 -4.656 1.00 0.00 H new ATOM 71 N LYS A 5 -5.161 7.182 -2.712 1.00 0.00 N ATOM 72 CA LYS A 5 -6.145 8.067 -2.110 1.00 0.00 C ATOM 73 C LYS A 5 -6.845 8.925 -3.157 1.00 0.00 C ATOM 74 O LYS A 5 -6.222 9.402 -4.111 1.00 0.00 O ATOM 75 CB LYS A 5 -5.495 8.955 -1.042 1.00 0.00 C ATOM 76 CG LYS A 5 -4.441 9.909 -1.581 1.00 0.00 C ATOM 77 CD LYS A 5 -3.912 10.829 -0.494 1.00 0.00 C ATOM 78 CE LYS A 5 -4.366 12.264 -0.703 1.00 0.00 C ATOM 79 NZ LYS A 5 -5.415 12.657 0.274 1.00 0.00 N ATOM 0 H LYS A 5 -4.337 7.650 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.899 7.440 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.273 9.534 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.039 8.318 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.617 9.338 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.867 10.505 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.254 10.477 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.823 10.790 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.511 12.934 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.751 12.380 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.700 13.642 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.241 12.034 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.040 12.570 1.240 1.00 0.00 H new ATOM 93 N ILE A 6 -8.144 9.103 -2.978 1.00 0.00 N ATOM 94 CA ILE A 6 -8.923 9.959 -3.854 1.00 0.00 C ATOM 95 C ILE A 6 -8.655 11.412 -3.499 1.00 0.00 C ATOM 96 O ILE A 6 -8.909 11.843 -2.377 1.00 0.00 O ATOM 97 CB ILE A 6 -10.435 9.667 -3.752 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.684 8.157 -3.776 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.182 10.354 -4.891 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.149 7.778 -3.830 1.00 0.00 C ATOM 0 H ILE A 6 -8.682 8.664 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.620 9.757 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.808 10.063 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.176 7.728 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.236 7.710 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.248 10.141 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.022 11.431 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.811 9.982 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.244 6.692 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.660 8.175 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.599 8.193 -4.732 1.00 0.00 H new ATOM 112 N THR A 7 -8.133 12.159 -4.450 1.00 0.00 N ATOM 113 CA THR A 7 -7.694 13.518 -4.191 1.00 0.00 C ATOM 114 C THR A 7 -8.784 14.517 -4.539 1.00 0.00 C ATOM 115 O THR A 7 -8.770 15.659 -4.078 1.00 0.00 O ATOM 116 CB THR A 7 -6.423 13.838 -4.995 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.883 12.622 -5.530 1.00 0.00 O ATOM 118 CG2 THR A 7 -5.383 14.517 -4.118 1.00 0.00 C ATOM 0 H THR A 7 -8.001 11.848 -5.413 1.00 0.00 H new ATOM 0 HA THR A 7 -7.473 13.599 -3.127 1.00 0.00 H new ATOM 0 HB THR A 7 -6.684 14.518 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.032 12.419 -5.088 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.493 14.733 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.791 15.447 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.118 13.858 -3.291 1.00 0.00 H new ATOM 126 N GLY A 8 -9.741 14.076 -5.337 1.00 0.00 N ATOM 127 CA GLY A 8 -10.789 14.965 -5.787 1.00 0.00 C ATOM 128 C GLY A 8 -12.102 14.737 -5.074 1.00 0.00 C ATOM 129 O GLY A 8 -13.116 15.328 -5.444 1.00 0.00 O ATOM 0 H GLY A 8 -9.811 13.119 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.473 15.997 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.936 14.832 -6.859 1.00 0.00 H new ATOM 133 N MET A 9 -12.092 13.895 -4.044 1.00 0.00 N ATOM 134 CA MET A 9 -13.323 13.529 -3.355 1.00 0.00 C ATOM 135 C MET A 9 -13.056 12.611 -2.173 1.00 0.00 C ATOM 136 O MET A 9 -11.994 11.997 -2.076 1.00 0.00 O ATOM 137 CB MET A 9 -14.256 12.797 -4.325 1.00 0.00 C ATOM 138 CG MET A 9 -15.625 13.430 -4.471 1.00 0.00 C ATOM 139 SD MET A 9 -16.320 13.185 -6.115 1.00 0.00 S ATOM 140 CE MET A 9 -17.918 13.967 -5.914 1.00 0.00 C ATOM 0 H MET A 9 -11.250 13.456 -3.671 1.00 0.00 H new ATOM 0 HA MET A 9 -13.779 14.450 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.781 12.755 -5.305 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.379 11.768 -3.986 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.300 13.007 -3.727 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.553 14.498 -4.265 1.00 0.00 H new ATOM 0 HE1 MET A 9 -18.476 13.901 -6.848 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.473 13.462 -5.123 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.779 15.015 -5.648 1.00 0.00 H new ATOM 150 N THR A 10 -14.023 12.550 -1.270 1.00 0.00 N ATOM 151 CA THR A 10 -14.147 11.436 -0.353 1.00 0.00 C ATOM 152 C THR A 10 -15.055 10.427 -1.051 1.00 0.00 C ATOM 153 O THR A 10 -14.618 9.829 -2.037 1.00 0.00 O ATOM 154 CB THR A 10 -14.741 11.889 0.997 1.00 0.00 C ATOM 155 OG1 THR A 10 -15.180 13.251 0.898 1.00 0.00 O ATOM 156 CG2 THR A 10 -13.708 11.776 2.107 1.00 0.00 C ATOM 0 H THR A 10 -14.738 13.268 -1.155 1.00 0.00 H new ATOM 0 HA THR A 10 -13.176 11.000 -0.119 1.00 0.00 H new ATOM 0 HB THR A 10 -15.585 11.242 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.558 13.536 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.149 12.101 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.382 10.740 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.851 12.407 1.872 1.00 0.00 H new ATOM 164 N CYS A 11 -16.255 10.172 -0.495 1.00 0.00 N ATOM 165 CA CYS A 11 -17.453 9.855 -1.304 1.00 0.00 C ATOM 166 C CYS A 11 -18.431 8.878 -0.689 1.00 0.00 C ATOM 167 O CYS A 11 -18.462 8.652 0.519 1.00 0.00 O ATOM 168 CB CYS A 11 -17.137 9.426 -2.739 1.00 0.00 C ATOM 169 SG CYS A 11 -17.570 10.673 -3.974 1.00 0.00 S ATOM 0 H CYS A 11 -16.423 10.179 0.511 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.955 10.822 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -16.073 9.202 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -17.674 8.504 -2.961 1.00 0.00 H new ATOM 0 HG CYS A 11 -16.655 10.706 -4.897 1.00 0.00 H new ATOM 174 N ASP A 12 -19.300 8.405 -1.575 1.00 0.00 N ATOM 175 CA ASP A 12 -19.995 7.140 -1.444 1.00 0.00 C ATOM 176 C ASP A 12 -19.910 6.483 -2.823 1.00 0.00 C ATOM 177 O ASP A 12 -18.828 6.055 -3.213 1.00 0.00 O ATOM 178 CB ASP A 12 -21.446 7.372 -1.018 1.00 0.00 C ATOM 179 CG ASP A 12 -22.185 6.093 -0.669 1.00 0.00 C ATOM 180 OD1 ASP A 12 -22.760 5.465 -1.587 1.00 0.00 O ATOM 181 OD2 ASP A 12 -22.215 5.725 0.521 1.00 0.00 O ATOM 0 H ASP A 12 -19.544 8.909 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.552 6.502 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.461 8.038 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.976 7.881 -1.823 1.00 0.00 H new ATOM 186 N SER A 13 -21.043 6.391 -3.524 1.00 0.00 N ATOM 187 CA SER A 13 -21.127 6.330 -5.001 1.00 0.00 C ATOM 188 C SER A 13 -19.817 5.989 -5.720 1.00 0.00 C ATOM 189 O SER A 13 -19.629 4.872 -6.212 1.00 0.00 O ATOM 190 CB SER A 13 -21.677 7.656 -5.526 1.00 0.00 C ATOM 191 OG SER A 13 -22.522 8.265 -4.564 1.00 0.00 O ATOM 0 H SER A 13 -21.958 6.355 -3.075 1.00 0.00 H new ATOM 0 HA SER A 13 -21.795 5.499 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.853 8.326 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.232 7.485 -6.448 1.00 0.00 H new ATOM 0 HG SER A 13 -22.863 9.113 -4.918 1.00 0.00 H new ATOM 197 N CYS A 14 -18.932 6.989 -5.790 1.00 0.00 N ATOM 198 CA CYS A 14 -17.680 6.895 -6.531 1.00 0.00 C ATOM 199 C CYS A 14 -16.886 5.674 -6.099 1.00 0.00 C ATOM 200 O CYS A 14 -16.518 4.844 -6.928 1.00 0.00 O ATOM 201 CB CYS A 14 -16.860 8.168 -6.305 1.00 0.00 C ATOM 202 SG CYS A 14 -15.369 8.309 -7.322 1.00 0.00 S ATOM 0 H CYS A 14 -19.069 7.889 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.905 6.791 -7.592 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.497 9.031 -6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.571 8.214 -5.255 1.00 0.00 H new ATOM 0 HG CYS A 14 -15.659 8.914 -8.436 1.00 0.00 H new ATOM 207 N ALA A 15 -16.667 5.544 -4.799 1.00 0.00 N ATOM 208 CA ALA A 15 -15.957 4.397 -4.257 1.00 0.00 C ATOM 209 C ALA A 15 -16.863 3.167 -4.235 1.00 0.00 C ATOM 210 O ALA A 15 -17.061 2.530 -3.202 1.00 0.00 O ATOM 211 CB ALA A 15 -15.418 4.713 -2.873 1.00 0.00 C ATOM 0 H ALA A 15 -16.972 6.221 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.108 4.173 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.889 3.844 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.732 5.558 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.245 4.964 -2.209 1.00 0.00 H new ATOM 217 N ALA A 16 -17.418 2.867 -5.396 1.00 0.00 N ATOM 218 CA ALA A 16 -18.209 1.674 -5.623 1.00 0.00 C ATOM 219 C ALA A 16 -18.291 1.438 -7.121 1.00 0.00 C ATOM 220 O ALA A 16 -18.032 0.336 -7.605 1.00 0.00 O ATOM 221 CB ALA A 16 -19.600 1.816 -5.021 1.00 0.00 C ATOM 0 H ALA A 16 -17.329 3.458 -6.222 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.736 0.821 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.171 0.906 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.517 1.979 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.110 2.664 -5.478 1.00 0.00 H new ATOM 227 N HIS A 17 -18.605 2.496 -7.861 1.00 0.00 N ATOM 228 CA HIS A 17 -18.562 2.441 -9.316 1.00 0.00 C ATOM 229 C HIS A 17 -17.114 2.354 -9.781 1.00 0.00 C ATOM 230 O HIS A 17 -16.791 1.635 -10.730 1.00 0.00 O ATOM 231 CB HIS A 17 -19.236 3.667 -9.929 1.00 0.00 C ATOM 232 CG HIS A 17 -20.045 3.361 -11.152 1.00 0.00 C ATOM 233 ND1 HIS A 17 -21.014 4.205 -11.649 1.00 0.00 N ATOM 234 CD2 HIS A 17 -20.027 2.289 -11.978 1.00 0.00 C ATOM 235 CE1 HIS A 17 -21.552 3.665 -12.728 1.00 0.00 C ATOM 236 NE2 HIS A 17 -20.971 2.502 -12.949 1.00 0.00 N ATOM 0 H HIS A 17 -18.891 3.397 -7.479 1.00 0.00 H new ATOM 0 HA HIS A 17 -19.105 1.555 -9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.883 4.127 -9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.472 4.401 -10.184 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.386 1.424 -11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.336 4.103 -13.328 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -21.188 1.866 -13.716 1.00 0.00 H new ATOM 245 N VAL A 18 -16.248 3.079 -9.089 1.00 0.00 N ATOM 246 CA VAL A 18 -14.822 3.037 -9.364 1.00 0.00 C ATOM 247 C VAL A 18 -14.274 1.680 -8.969 1.00 0.00 C ATOM 248 O VAL A 18 -13.472 1.101 -9.683 1.00 0.00 O ATOM 249 CB VAL A 18 -14.057 4.148 -8.608 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.551 3.935 -8.683 1.00 0.00 C ATOM 251 CG2 VAL A 18 -14.425 5.512 -9.162 1.00 0.00 C ATOM 0 H VAL A 18 -16.511 3.706 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.680 3.205 -10.432 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.349 4.101 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.043 4.733 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.297 2.974 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.234 3.945 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.879 6.284 -8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.165 5.558 -10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.496 5.675 -9.045 1.00 0.00 H new ATOM 261 N LYS A 19 -14.739 1.168 -7.835 1.00 0.00 N ATOM 262 CA LYS A 19 -14.344 -0.158 -7.382 1.00 0.00 C ATOM 263 C LYS A 19 -14.737 -1.204 -8.416 1.00 0.00 C ATOM 264 O LYS A 19 -13.966 -2.109 -8.719 1.00 0.00 O ATOM 265 CB LYS A 19 -15.002 -0.483 -6.038 1.00 0.00 C ATOM 266 CG LYS A 19 -14.585 -1.827 -5.462 1.00 0.00 C ATOM 267 CD LYS A 19 -15.771 -2.760 -5.295 1.00 0.00 C ATOM 268 CE LYS A 19 -15.745 -3.454 -3.943 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.470 -4.910 -4.068 1.00 0.00 N ATOM 0 H LYS A 19 -15.389 1.651 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.262 -0.171 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.754 0.301 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.085 -0.471 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.847 -2.290 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.103 -1.675 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.697 -2.195 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.763 -3.507 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.983 -2.994 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.702 -3.308 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.495 -5.350 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.192 -5.349 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.530 -5.051 -4.491 1.00 0.00 H new ATOM 283 N GLU A 20 -15.938 -1.057 -8.963 1.00 0.00 N ATOM 284 CA GLU A 20 -16.425 -1.962 -9.995 1.00 0.00 C ATOM 285 C GLU A 20 -15.551 -1.866 -11.246 1.00 0.00 C ATOM 286 O GLU A 20 -15.054 -2.880 -11.746 1.00 0.00 O ATOM 287 CB GLU A 20 -17.886 -1.633 -10.323 1.00 0.00 C ATOM 288 CG GLU A 20 -18.356 -2.141 -11.674 1.00 0.00 C ATOM 289 CD GLU A 20 -19.350 -1.201 -12.321 1.00 0.00 C ATOM 290 OE1 GLU A 20 -20.413 -0.948 -11.714 1.00 0.00 O ATOM 291 OE2 GLU A 20 -19.075 -0.705 -13.431 1.00 0.00 O ATOM 0 H GLU A 20 -16.593 -0.318 -8.708 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.371 -2.986 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.524 -2.057 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.018 -0.552 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.496 -2.268 -12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.813 -3.123 -11.553 1.00 0.00 H new ATOM 298 N ALA A 21 -15.348 -0.645 -11.731 1.00 0.00 N ATOM 299 CA ALA A 21 -14.514 -0.415 -12.907 1.00 0.00 C ATOM 300 C ALA A 21 -13.084 -0.894 -12.666 1.00 0.00 C ATOM 301 O ALA A 21 -12.457 -1.483 -13.544 1.00 0.00 O ATOM 302 CB ALA A 21 -14.522 1.061 -13.283 1.00 0.00 C ATOM 0 H ALA A 21 -15.750 0.201 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.930 -0.990 -13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.896 1.216 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.542 1.374 -13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.134 1.650 -12.452 1.00 0.00 H new ATOM 308 N LEU A 22 -12.583 -0.633 -11.467 1.00 0.00 N ATOM 309 CA LEU A 22 -11.240 -1.037 -11.080 1.00 0.00 C ATOM 310 C LEU A 22 -11.117 -2.554 -11.017 1.00 0.00 C ATOM 311 O LEU A 22 -10.162 -3.123 -11.534 1.00 0.00 O ATOM 312 CB LEU A 22 -10.875 -0.420 -9.730 1.00 0.00 C ATOM 313 CG LEU A 22 -10.112 0.904 -9.817 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.781 1.423 -8.427 1.00 0.00 C ATOM 315 CD2 LEU A 22 -8.847 0.740 -10.645 1.00 0.00 C ATOM 0 H LEU A 22 -13.095 -0.137 -10.737 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.545 -0.675 -11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.790 -0.259 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.272 -1.135 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.751 1.636 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.239 2.365 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.704 1.583 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.163 0.693 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.319 1.692 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.204 -0.008 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.111 0.418 -11.652 1.00 0.00 H new ATOM 327 N GLU A 23 -12.091 -3.206 -10.393 1.00 0.00 N ATOM 328 CA GLU A 23 -12.087 -4.661 -10.289 1.00 0.00 C ATOM 329 C GLU A 23 -12.348 -5.302 -11.650 1.00 0.00 C ATOM 330 O GLU A 23 -12.073 -6.485 -11.856 1.00 0.00 O ATOM 331 CB GLU A 23 -13.119 -5.130 -9.264 1.00 0.00 C ATOM 332 CG GLU A 23 -12.597 -5.107 -7.836 1.00 0.00 C ATOM 333 CD GLU A 23 -13.656 -5.447 -6.806 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.855 -5.435 -7.147 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.291 -5.735 -5.643 1.00 0.00 O ATOM 0 H GLU A 23 -12.891 -2.752 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.100 -4.976 -9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.003 -4.496 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.434 -6.143 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.772 -5.814 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.194 -4.118 -7.620 1.00 0.00 H new ATOM 342 N LYS A 24 -12.888 -4.514 -12.574 1.00 0.00 N ATOM 343 CA LYS A 24 -13.059 -4.956 -13.954 1.00 0.00 C ATOM 344 C LYS A 24 -11.725 -4.935 -14.697 1.00 0.00 C ATOM 345 O LYS A 24 -11.595 -5.513 -15.774 1.00 0.00 O ATOM 346 CB LYS A 24 -14.064 -4.063 -14.681 1.00 0.00 C ATOM 347 CG LYS A 24 -15.460 -4.650 -14.733 1.00 0.00 C ATOM 348 CD LYS A 24 -16.395 -3.803 -15.581 1.00 0.00 C ATOM 349 CE LYS A 24 -16.935 -4.589 -16.763 1.00 0.00 C ATOM 350 NZ LYS A 24 -17.232 -6.004 -16.410 1.00 0.00 N ATOM 0 H LYS A 24 -13.215 -3.565 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.437 -5.978 -13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.103 -3.093 -14.185 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.714 -3.887 -15.698 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.415 -5.660 -15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.859 -4.731 -13.722 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.224 -3.449 -14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.865 -2.921 -15.940 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.842 -4.110 -17.131 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.209 -4.564 -17.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.980 -6.368 -17.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.373 -6.579 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.550 -6.056 -15.421 1.00 0.00 H new ATOM 364 N VAL A 25 -10.741 -4.256 -14.122 1.00 0.00 N ATOM 365 CA VAL A 25 -9.412 -4.177 -14.714 1.00 0.00 C ATOM 366 C VAL A 25 -8.630 -5.457 -14.420 1.00 0.00 C ATOM 367 O VAL A 25 -8.624 -5.941 -13.285 1.00 0.00 O ATOM 368 CB VAL A 25 -8.633 -2.948 -14.181 1.00 0.00 C ATOM 369 CG1 VAL A 25 -7.180 -2.964 -14.639 1.00 0.00 C ATOM 370 CG2 VAL A 25 -9.312 -1.659 -14.619 1.00 0.00 C ATOM 0 H VAL A 25 -10.839 -3.750 -13.242 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.529 -4.064 -15.792 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.638 -2.999 -13.092 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.665 -2.087 -14.246 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.692 -3.867 -14.271 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.142 -2.950 -15.728 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.753 -0.805 -14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.342 -1.615 -15.708 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.329 -1.632 -14.227 1.00 0.00 H new ATOM 380 N PRO A 26 -7.996 -6.047 -15.446 1.00 0.00 N ATOM 381 CA PRO A 26 -7.183 -7.252 -15.283 1.00 0.00 C ATOM 382 C PRO A 26 -5.939 -6.988 -14.445 1.00 0.00 C ATOM 383 O PRO A 26 -5.250 -5.984 -14.631 1.00 0.00 O ATOM 384 CB PRO A 26 -6.796 -7.642 -16.716 1.00 0.00 C ATOM 385 CG PRO A 26 -7.705 -6.855 -17.597 1.00 0.00 C ATOM 386 CD PRO A 26 -8.031 -5.600 -16.844 1.00 0.00 C ATOM 0 HA PRO A 26 -7.726 -8.039 -14.759 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.751 -7.407 -16.919 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.920 -8.713 -16.879 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.224 -6.625 -18.548 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.610 -7.418 -17.826 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.303 -4.812 -17.036 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.009 -5.205 -17.119 1.00 0.00 H new ATOM 394 N GLY A 27 -5.665 -7.891 -13.521 1.00 0.00 N ATOM 395 CA GLY A 27 -4.552 -7.717 -12.616 1.00 0.00 C ATOM 396 C GLY A 27 -5.027 -7.317 -11.239 1.00 0.00 C ATOM 397 O GLY A 27 -4.241 -7.196 -10.304 1.00 0.00 O ATOM 0 H GLY A 27 -6.198 -8.749 -13.381 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.983 -8.644 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.877 -6.955 -13.007 1.00 0.00 H new ATOM 401 N VAL A 28 -6.324 -7.085 -11.130 1.00 0.00 N ATOM 402 CA VAL A 28 -6.961 -6.777 -9.862 1.00 0.00 C ATOM 403 C VAL A 28 -7.562 -8.053 -9.267 1.00 0.00 C ATOM 404 O VAL A 28 -7.846 -9.001 -10.000 1.00 0.00 O ATOM 405 CB VAL A 28 -8.049 -5.696 -10.063 1.00 0.00 C ATOM 406 CG1 VAL A 28 -8.807 -5.405 -8.776 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.422 -4.420 -10.606 1.00 0.00 C ATOM 0 H VAL A 28 -6.967 -7.105 -11.922 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.218 -6.385 -9.167 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.769 -6.082 -10.785 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.561 -4.640 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.293 -6.316 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.111 -5.050 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.196 -3.665 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.677 -4.052 -9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.943 -4.628 -11.563 1.00 0.00 H new ATOM 417 N GLN A 29 -7.755 -8.085 -7.954 1.00 0.00 N ATOM 418 CA GLN A 29 -8.322 -9.259 -7.303 1.00 0.00 C ATOM 419 C GLN A 29 -9.431 -8.861 -6.339 1.00 0.00 C ATOM 420 O GLN A 29 -10.514 -9.441 -6.359 1.00 0.00 O ATOM 421 CB GLN A 29 -7.235 -10.037 -6.561 1.00 0.00 C ATOM 422 CG GLN A 29 -7.270 -11.531 -6.831 1.00 0.00 C ATOM 423 CD GLN A 29 -7.874 -12.315 -5.684 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.909 -11.940 -5.135 1.00 0.00 O ATOM 425 NE2 GLN A 29 -7.233 -13.409 -5.310 1.00 0.00 N ATOM 0 H GLN A 29 -7.529 -7.317 -7.323 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.749 -9.900 -8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.259 -9.646 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.344 -9.866 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.845 -11.719 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.257 -11.887 -7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.377 -13.688 -5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.594 -13.974 -4.542 1.00 0.00 H new ATOM 434 N SER A 30 -9.171 -7.877 -5.488 1.00 0.00 N ATOM 435 CA SER A 30 -10.193 -7.385 -4.570 1.00 0.00 C ATOM 436 C SER A 30 -9.925 -5.931 -4.207 1.00 0.00 C ATOM 437 O SER A 30 -8.833 -5.587 -3.759 1.00 0.00 O ATOM 438 CB SER A 30 -10.234 -8.239 -3.294 1.00 0.00 C ATOM 439 OG SER A 30 -9.686 -9.532 -3.509 1.00 0.00 O ATOM 0 H SER A 30 -8.269 -7.406 -5.413 1.00 0.00 H new ATOM 0 HA SER A 30 -11.159 -7.455 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.680 -7.736 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.265 -8.333 -2.952 1.00 0.00 H new ATOM 0 HG SER A 30 -9.727 -10.047 -2.676 1.00 0.00 H new ATOM 445 N ALA A 31 -10.910 -5.076 -4.419 1.00 0.00 N ATOM 446 CA ALA A 31 -10.768 -3.671 -4.088 1.00 0.00 C ATOM 447 C ALA A 31 -11.570 -3.327 -2.841 1.00 0.00 C ATOM 448 O ALA A 31 -12.777 -3.556 -2.785 1.00 0.00 O ATOM 449 CB ALA A 31 -11.200 -2.803 -5.260 1.00 0.00 C ATOM 0 H ALA A 31 -11.814 -5.330 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.717 -3.472 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.087 -1.752 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.579 -3.027 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.244 -3.007 -5.499 1.00 0.00 H new ATOM 455 N LEU A 32 -10.884 -2.803 -1.836 1.00 0.00 N ATOM 456 CA LEU A 32 -11.521 -2.372 -0.604 1.00 0.00 C ATOM 457 C LEU A 32 -11.505 -0.854 -0.526 1.00 0.00 C ATOM 458 O LEU A 32 -10.575 -0.249 0.012 1.00 0.00 O ATOM 459 CB LEU A 32 -10.806 -2.971 0.608 1.00 0.00 C ATOM 460 CG LEU A 32 -10.768 -4.497 0.646 1.00 0.00 C ATOM 461 CD1 LEU A 32 -9.453 -4.979 1.235 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.941 -5.036 1.445 1.00 0.00 C ATOM 0 H LEU A 32 -9.873 -2.666 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.553 -2.721 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.783 -2.596 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.295 -2.612 1.514 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.846 -4.872 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.441 -6.069 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.626 -4.619 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.347 -4.596 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.900 -6.125 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.892 -4.655 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.874 -4.716 0.982 1.00 0.00 H new ATOM 474 N VAL A 33 -12.531 -0.242 -1.084 1.00 0.00 N ATOM 475 CA VAL A 33 -12.606 1.207 -1.150 1.00 0.00 C ATOM 476 C VAL A 33 -13.183 1.780 0.138 1.00 0.00 C ATOM 477 O VAL A 33 -14.039 1.170 0.779 1.00 0.00 O ATOM 478 CB VAL A 33 -13.455 1.686 -2.346 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.586 1.867 -3.581 1.00 0.00 C ATOM 480 CG2 VAL A 33 -14.601 0.722 -2.627 1.00 0.00 C ATOM 0 H VAL A 33 -13.327 -0.726 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.586 1.568 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.888 2.652 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.203 2.205 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.814 2.609 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.118 0.917 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.182 1.085 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.198 -0.264 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.243 0.655 -1.749 1.00 0.00 H new ATOM 490 N SER A 34 -12.693 2.945 0.519 1.00 0.00 N ATOM 491 CA SER A 34 -13.145 3.613 1.723 1.00 0.00 C ATOM 492 C SER A 34 -13.452 5.079 1.427 1.00 0.00 C ATOM 493 O SER A 34 -12.618 5.956 1.651 1.00 0.00 O ATOM 494 CB SER A 34 -12.072 3.497 2.805 1.00 0.00 C ATOM 495 OG SER A 34 -11.080 2.553 2.430 1.00 0.00 O ATOM 0 H SER A 34 -11.973 3.452 0.004 1.00 0.00 H new ATOM 0 HA SER A 34 -14.059 3.137 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.610 4.470 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.530 3.196 3.747 1.00 0.00 H new ATOM 0 HG SER A 34 -10.401 2.494 3.135 1.00 0.00 H new ATOM 501 N TYR A 35 -14.652 5.332 0.914 1.00 0.00 N ATOM 502 CA TYR A 35 -15.083 6.689 0.563 1.00 0.00 C ATOM 503 C TYR A 35 -15.041 7.663 1.757 1.00 0.00 C ATOM 504 O TYR A 35 -14.598 8.792 1.581 1.00 0.00 O ATOM 505 CB TYR A 35 -16.479 6.709 -0.092 1.00 0.00 C ATOM 506 CG TYR A 35 -17.402 5.573 0.330 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.259 4.296 -0.200 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.415 5.780 1.258 1.00 0.00 C ATOM 509 CE1 TYR A 35 -18.095 3.265 0.177 1.00 0.00 C ATOM 510 CE2 TYR A 35 -19.256 4.755 1.641 1.00 0.00 C ATOM 511 CZ TYR A 35 -19.089 3.499 1.099 1.00 0.00 C ATOM 512 OH TYR A 35 -19.922 2.474 1.481 1.00 0.00 O ATOM 0 H TYR A 35 -15.351 4.612 0.730 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.356 7.038 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -16.962 7.657 0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.357 6.675 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.478 4.107 -0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.547 6.762 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.970 2.281 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.040 4.936 2.361 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.568 2.805 2.139 1.00 0.00 H new ATOM 522 N PRO A 36 -15.493 7.278 2.983 1.00 0.00 N ATOM 523 CA PRO A 36 -15.522 8.207 4.126 1.00 0.00 C ATOM 524 C PRO A 36 -14.149 8.795 4.437 1.00 0.00 C ATOM 525 O PRO A 36 -14.042 9.941 4.875 1.00 0.00 O ATOM 526 CB PRO A 36 -16.010 7.343 5.294 1.00 0.00 C ATOM 527 CG PRO A 36 -16.734 6.218 4.652 1.00 0.00 C ATOM 528 CD PRO A 36 -16.005 5.949 3.369 1.00 0.00 C ATOM 0 HA PRO A 36 -16.161 9.067 3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.176 6.985 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.664 7.908 5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.737 5.337 5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.776 6.479 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.196 5.232 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.668 5.537 2.608 1.00 0.00 H new ATOM 536 N LYS A 37 -13.104 8.006 4.216 1.00 0.00 N ATOM 537 CA LYS A 37 -11.738 8.464 4.443 1.00 0.00 C ATOM 538 C LYS A 37 -11.109 8.972 3.148 1.00 0.00 C ATOM 539 O LYS A 37 -10.093 9.667 3.173 1.00 0.00 O ATOM 540 CB LYS A 37 -10.887 7.339 5.032 1.00 0.00 C ATOM 541 CG LYS A 37 -10.465 7.580 6.472 1.00 0.00 C ATOM 542 CD LYS A 37 -8.972 7.837 6.574 1.00 0.00 C ATOM 543 CE LYS A 37 -8.209 6.562 6.885 1.00 0.00 C ATOM 544 NZ LYS A 37 -6.751 6.811 7.018 1.00 0.00 N ATOM 0 H LYS A 37 -13.176 7.046 3.880 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.775 9.289 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.448 6.406 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.995 7.211 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.011 8.433 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.730 6.715 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.610 8.260 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.781 8.576 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.589 6.127 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.383 5.832 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.264 5.917 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.383 7.203 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.583 7.488 7.789 1.00 0.00 H new ATOM 558 N GLY A 38 -11.714 8.618 2.024 1.00 0.00 N ATOM 559 CA GLY A 38 -11.200 9.039 0.735 1.00 0.00 C ATOM 560 C GLY A 38 -9.979 8.245 0.318 1.00 0.00 C ATOM 561 O GLY A 38 -9.019 8.801 -0.217 1.00 0.00 O ATOM 0 H GLY A 38 -12.556 8.044 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.979 8.927 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.946 10.098 0.776 1.00 0.00 H new ATOM 565 N THR A 39 -10.008 6.946 0.567 1.00 0.00 N ATOM 566 CA THR A 39 -8.893 6.078 0.222 1.00 0.00 C ATOM 567 C THR A 39 -9.392 4.782 -0.408 1.00 0.00 C ATOM 568 O THR A 39 -10.564 4.432 -0.280 1.00 0.00 O ATOM 569 CB THR A 39 -8.048 5.739 1.464 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.422 6.584 2.564 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.562 5.901 1.173 1.00 0.00 C ATOM 0 H THR A 39 -10.794 6.468 1.008 1.00 0.00 H new ATOM 0 HA THR A 39 -8.273 6.616 -0.495 1.00 0.00 H new ATOM 0 HB THR A 39 -8.238 4.699 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.880 6.359 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.987 5.656 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.275 5.232 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.358 6.932 0.882 1.00 0.00 H new ATOM 579 N ALA A 40 -8.505 4.085 -1.101 1.00 0.00 N ATOM 580 CA ALA A 40 -8.832 2.793 -1.679 1.00 0.00 C ATOM 581 C ALA A 40 -7.722 1.789 -1.401 1.00 0.00 C ATOM 582 O ALA A 40 -6.554 2.039 -1.717 1.00 0.00 O ATOM 583 CB ALA A 40 -9.063 2.928 -3.176 1.00 0.00 C ATOM 0 H ALA A 40 -7.549 4.395 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.750 2.429 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.307 1.952 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.888 3.617 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.160 3.311 -3.650 1.00 0.00 H new ATOM 589 N GLN A 41 -8.079 0.672 -0.787 1.00 0.00 N ATOM 590 CA GLN A 41 -7.130 -0.406 -0.545 1.00 0.00 C ATOM 591 C GLN A 41 -7.344 -1.509 -1.571 1.00 0.00 C ATOM 592 O GLN A 41 -8.252 -2.327 -1.438 1.00 0.00 O ATOM 593 CB GLN A 41 -7.284 -0.964 0.871 1.00 0.00 C ATOM 594 CG GLN A 41 -6.166 -1.915 1.270 1.00 0.00 C ATOM 595 CD GLN A 41 -6.226 -2.315 2.729 1.00 0.00 C ATOM 596 OE1 GLN A 41 -6.503 -1.492 3.602 1.00 0.00 O ATOM 597 NE2 GLN A 41 -5.955 -3.578 3.007 1.00 0.00 N ATOM 0 H GLN A 41 -9.022 0.487 -0.446 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.119 -0.010 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.316 -0.136 1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.238 -1.485 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.219 -2.810 0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.205 -1.443 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.730 -4.229 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.971 -3.902 3.974 1.00 0.00 H new ATOM 606 N LEU A 42 -6.520 -1.523 -2.599 1.00 0.00 N ATOM 607 CA LEU A 42 -6.708 -2.454 -3.695 1.00 0.00 C ATOM 608 C LEU A 42 -5.722 -3.608 -3.619 1.00 0.00 C ATOM 609 O LEU A 42 -4.510 -3.411 -3.671 1.00 0.00 O ATOM 610 CB LEU A 42 -6.573 -1.734 -5.034 1.00 0.00 C ATOM 611 CG LEU A 42 -7.890 -1.235 -5.624 1.00 0.00 C ATOM 612 CD1 LEU A 42 -7.924 0.283 -5.633 1.00 0.00 C ATOM 613 CD2 LEU A 42 -8.088 -1.789 -7.026 1.00 0.00 C ATOM 0 H LEU A 42 -5.716 -0.903 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.714 -2.865 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.901 -0.885 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.103 -2.409 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.709 -1.591 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.869 0.623 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.829 0.655 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.099 0.662 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.031 -1.424 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.267 -1.463 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.107 -2.878 -6.987 1.00 0.00 H new ATOM 625 N ALA A 43 -6.258 -4.812 -3.510 1.00 0.00 N ATOM 626 CA ALA A 43 -5.452 -6.011 -3.515 1.00 0.00 C ATOM 627 C ALA A 43 -5.264 -6.462 -4.950 1.00 0.00 C ATOM 628 O ALA A 43 -6.003 -7.304 -5.462 1.00 0.00 O ATOM 629 CB ALA A 43 -6.098 -7.104 -2.674 1.00 0.00 C ATOM 0 H ALA A 43 -7.260 -4.981 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.479 -5.801 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.472 -7.996 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.204 -6.758 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.081 -7.342 -3.080 1.00 0.00 H new ATOM 635 N ILE A 44 -4.310 -5.837 -5.612 1.00 0.00 N ATOM 636 CA ILE A 44 -3.989 -6.172 -6.987 1.00 0.00 C ATOM 637 C ILE A 44 -3.034 -7.355 -7.037 1.00 0.00 C ATOM 638 O ILE A 44 -2.277 -7.600 -6.096 1.00 0.00 O ATOM 639 CB ILE A 44 -3.358 -4.980 -7.742 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.321 -4.269 -6.868 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.437 -4.006 -8.190 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.064 -3.878 -7.616 1.00 0.00 C ATOM 0 H ILE A 44 -3.740 -5.089 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.927 -6.430 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.849 -5.365 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.772 -3.374 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.051 -4.920 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.977 -3.172 -8.720 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.135 -4.517 -8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.973 -3.630 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.375 -3.379 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.590 -4.771 -8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.321 -3.201 -8.431 1.00 0.00 H new ATOM 654 N VAL A 45 -3.094 -8.094 -8.127 1.00 0.00 N ATOM 655 CA VAL A 45 -2.241 -9.248 -8.328 1.00 0.00 C ATOM 656 C VAL A 45 -0.824 -8.804 -8.681 1.00 0.00 C ATOM 657 O VAL A 45 -0.643 -7.896 -9.499 1.00 0.00 O ATOM 658 CB VAL A 45 -2.810 -10.151 -9.442 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.763 -11.112 -9.988 1.00 0.00 C ATOM 660 CG2 VAL A 45 -4.023 -10.916 -8.936 1.00 0.00 C ATOM 0 H VAL A 45 -3.736 -7.911 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.208 -9.820 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.116 -9.503 -10.264 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.207 -11.728 -10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.930 -10.545 -10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.402 -11.752 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.413 -11.549 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.734 -11.537 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.793 -10.211 -8.623 1.00 0.00 H new ATOM 670 N PRO A 46 0.191 -9.409 -8.042 1.00 0.00 N ATOM 671 CA PRO A 46 1.595 -9.143 -8.358 1.00 0.00 C ATOM 672 C PRO A 46 1.864 -9.281 -9.853 1.00 0.00 C ATOM 673 O PRO A 46 1.716 -10.362 -10.424 1.00 0.00 O ATOM 674 CB PRO A 46 2.347 -10.218 -7.572 1.00 0.00 C ATOM 675 CG PRO A 46 1.448 -10.550 -6.434 1.00 0.00 C ATOM 676 CD PRO A 46 0.047 -10.394 -6.955 1.00 0.00 C ATOM 0 HA PRO A 46 1.898 -8.129 -8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.545 -11.094 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.311 -9.851 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.623 -11.567 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.626 -9.885 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.353 -11.340 -7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.632 -10.040 -6.180 1.00 0.00 H new ATOM 684 N GLY A 47 2.252 -8.185 -10.481 1.00 0.00 N ATOM 685 CA GLY A 47 2.413 -8.165 -11.918 1.00 0.00 C ATOM 686 C GLY A 47 1.895 -6.875 -12.510 1.00 0.00 C ATOM 687 O GLY A 47 2.441 -6.362 -13.488 1.00 0.00 O ATOM 0 H GLY A 47 2.460 -7.301 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.467 -8.286 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.881 -9.009 -12.358 1.00 0.00 H new ATOM 691 N THR A 48 0.838 -6.349 -11.912 1.00 0.00 N ATOM 692 CA THR A 48 0.298 -5.057 -12.301 1.00 0.00 C ATOM 693 C THR A 48 1.098 -3.943 -11.656 1.00 0.00 C ATOM 694 O THR A 48 2.114 -4.194 -11.013 1.00 0.00 O ATOM 695 CB THR A 48 -1.192 -4.947 -11.919 1.00 0.00 C ATOM 696 OG1 THR A 48 -1.741 -6.262 -11.751 1.00 0.00 O ATOM 697 CG2 THR A 48 -1.978 -4.204 -12.993 1.00 0.00 C ATOM 0 H THR A 48 0.334 -6.802 -11.149 1.00 0.00 H new ATOM 0 HA THR A 48 0.375 -4.962 -13.384 1.00 0.00 H new ATOM 0 HB THR A 48 -1.268 -4.388 -10.986 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.565 -6.208 -11.223 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.026 -4.140 -12.699 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.573 -3.199 -13.111 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.899 -4.740 -13.939 1.00 0.00 H new ATOM 705 N SER A 49 0.638 -2.719 -11.800 1.00 0.00 N ATOM 706 CA SER A 49 1.401 -1.592 -11.325 1.00 0.00 C ATOM 707 C SER A 49 0.473 -0.455 -10.919 1.00 0.00 C ATOM 708 O SER A 49 -0.551 -0.226 -11.562 1.00 0.00 O ATOM 709 CB SER A 49 2.377 -1.120 -12.409 1.00 0.00 C ATOM 710 OG SER A 49 2.289 -1.924 -13.577 1.00 0.00 O ATOM 0 H SER A 49 -0.252 -2.483 -12.238 1.00 0.00 H new ATOM 0 HA SER A 49 1.972 -1.902 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.164 -0.082 -12.664 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.395 -1.151 -12.021 1.00 0.00 H new ATOM 0 HG SER A 49 2.923 -1.596 -14.249 1.00 0.00 H new ATOM 716 N PRO A 50 0.813 0.263 -9.836 1.00 0.00 N ATOM 717 CA PRO A 50 -0.033 1.335 -9.297 1.00 0.00 C ATOM 718 C PRO A 50 -0.253 2.462 -10.294 1.00 0.00 C ATOM 719 O PRO A 50 -1.280 3.143 -10.258 1.00 0.00 O ATOM 720 CB PRO A 50 0.743 1.838 -8.072 1.00 0.00 C ATOM 721 CG PRO A 50 1.696 0.742 -7.738 1.00 0.00 C ATOM 722 CD PRO A 50 2.041 0.086 -9.044 1.00 0.00 C ATOM 0 HA PRO A 50 -1.033 0.974 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.271 2.765 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.072 2.045 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.588 1.135 -7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.245 0.028 -7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.900 0.560 -9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.289 -0.967 -8.914 1.00 0.00 H new ATOM 730 N ASP A 51 0.700 2.641 -11.198 1.00 0.00 N ATOM 731 CA ASP A 51 0.585 3.660 -12.235 1.00 0.00 C ATOM 732 C ASP A 51 -0.595 3.350 -13.152 1.00 0.00 C ATOM 733 O ASP A 51 -1.207 4.255 -13.719 1.00 0.00 O ATOM 734 CB ASP A 51 1.896 3.757 -13.036 1.00 0.00 C ATOM 735 CG ASP A 51 1.739 3.403 -14.507 1.00 0.00 C ATOM 736 OD1 ASP A 51 1.357 4.287 -15.302 1.00 0.00 O ATOM 737 OD2 ASP A 51 2.013 2.241 -14.873 1.00 0.00 O ATOM 0 H ASP A 51 1.561 2.095 -11.235 1.00 0.00 H new ATOM 0 HA ASP A 51 0.404 4.626 -11.763 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.287 4.771 -12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.636 3.093 -12.588 1.00 0.00 H new ATOM 742 N ALA A 52 -0.941 2.071 -13.244 1.00 0.00 N ATOM 743 CA ALA A 52 -2.023 1.634 -14.113 1.00 0.00 C ATOM 744 C ALA A 52 -3.374 1.977 -13.500 1.00 0.00 C ATOM 745 O ALA A 52 -4.315 2.307 -14.211 1.00 0.00 O ATOM 746 CB ALA A 52 -1.922 0.141 -14.387 1.00 0.00 C ATOM 0 H ALA A 52 -0.486 1.319 -12.726 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.934 2.162 -15.062 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.740 -0.166 -15.039 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.971 -0.076 -14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.983 -0.406 -13.446 1.00 0.00 H new ATOM 752 N LEU A 53 -3.450 1.917 -12.175 1.00 0.00 N ATOM 753 CA LEU A 53 -4.692 2.203 -11.459 1.00 0.00 C ATOM 754 C LEU A 53 -4.876 3.704 -11.319 1.00 0.00 C ATOM 755 O LEU A 53 -5.955 4.247 -11.596 1.00 0.00 O ATOM 756 CB LEU A 53 -4.683 1.544 -10.082 1.00 0.00 C ATOM 757 CG LEU A 53 -4.529 0.023 -10.095 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.220 -0.390 -9.445 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.705 -0.636 -9.396 1.00 0.00 C ATOM 0 H LEU A 53 -2.665 1.672 -11.572 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.525 1.794 -12.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.869 1.972 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.611 1.796 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.514 -0.311 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.131 -1.476 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.387 0.053 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.202 -0.043 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.579 -1.719 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.752 -0.294 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.629 -0.369 -9.909 1.00 0.00 H new ATOM 771 N THR A 54 -3.804 4.378 -10.918 1.00 0.00 N ATOM 772 CA THR A 54 -3.817 5.824 -10.835 1.00 0.00 C ATOM 773 C THR A 54 -4.296 6.386 -12.165 1.00 0.00 C ATOM 774 O THR A 54 -5.099 7.301 -12.205 1.00 0.00 O ATOM 775 CB THR A 54 -2.428 6.399 -10.494 1.00 0.00 C ATOM 776 OG1 THR A 54 -1.823 5.633 -9.442 1.00 0.00 O ATOM 777 CG2 THR A 54 -2.534 7.857 -10.067 1.00 0.00 C ATOM 0 H THR A 54 -2.921 3.944 -10.648 1.00 0.00 H new ATOM 0 HA THR A 54 -4.492 6.114 -10.030 1.00 0.00 H new ATOM 0 HB THR A 54 -1.808 6.342 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.380 4.847 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.541 8.240 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.966 8.443 -10.878 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.171 7.933 -9.185 1.00 0.00 H new ATOM 785 N ALA A 55 -3.819 5.792 -13.253 1.00 0.00 N ATOM 786 CA ALA A 55 -4.309 6.118 -14.586 1.00 0.00 C ATOM 787 C ALA A 55 -5.770 5.695 -14.740 1.00 0.00 C ATOM 788 O ALA A 55 -6.610 6.483 -15.175 1.00 0.00 O ATOM 789 CB ALA A 55 -3.449 5.450 -15.648 1.00 0.00 C ATOM 0 H ALA A 55 -3.090 5.079 -13.237 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.247 7.198 -14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.829 5.704 -16.637 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.420 5.798 -15.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.480 4.369 -15.514 1.00 0.00 H new ATOM 795 N ALA A 56 -6.054 4.436 -14.395 1.00 0.00 N ATOM 796 CA ALA A 56 -7.405 3.866 -14.491 1.00 0.00 C ATOM 797 C ALA A 56 -8.356 4.429 -13.439 1.00 0.00 C ATOM 798 O ALA A 56 -9.385 3.828 -13.134 1.00 0.00 O ATOM 799 CB ALA A 56 -7.354 2.347 -14.397 1.00 0.00 C ATOM 0 H ALA A 56 -5.356 3.782 -14.041 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.799 4.153 -15.466 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.364 1.944 -14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.746 1.952 -15.211 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.915 2.056 -13.442 1.00 0.00 H new ATOM 805 N VAL A 57 -8.018 5.592 -12.917 1.00 0.00 N ATOM 806 CA VAL A 57 -8.939 6.353 -12.083 1.00 0.00 C ATOM 807 C VAL A 57 -8.770 7.848 -12.345 1.00 0.00 C ATOM 808 O VAL A 57 -9.762 8.573 -12.445 1.00 0.00 O ATOM 809 CB VAL A 57 -8.712 6.092 -10.568 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.614 6.984 -9.722 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.938 4.629 -10.216 1.00 0.00 C ATOM 0 H VAL A 57 -7.110 6.035 -13.054 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.945 6.026 -12.344 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.673 6.336 -10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.437 6.783 -8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.394 8.030 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.657 6.777 -9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.771 4.481 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.961 4.349 -10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.244 4.007 -10.781 1.00 0.00 H new ATOM 821 N ALA A 58 -7.532 8.307 -12.510 1.00 0.00 N ATOM 822 CA ALA A 58 -7.295 9.713 -12.842 1.00 0.00 C ATOM 823 C ALA A 58 -7.831 10.032 -14.233 1.00 0.00 C ATOM 824 O ALA A 58 -8.438 11.082 -14.455 1.00 0.00 O ATOM 825 CB ALA A 58 -5.819 10.070 -12.751 1.00 0.00 C ATOM 0 H ALA A 58 -6.689 7.739 -12.422 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.830 10.318 -12.109 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.683 11.121 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.464 9.892 -11.736 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.252 9.452 -13.447 1.00 0.00 H new ATOM 831 N GLY A 59 -7.615 9.108 -15.164 1.00 0.00 N ATOM 832 CA GLY A 59 -8.094 9.289 -16.519 1.00 0.00 C ATOM 833 C GLY A 59 -9.574 8.990 -16.643 1.00 0.00 C ATOM 834 O GLY A 59 -10.214 9.360 -17.630 1.00 0.00 O ATOM 0 H GLY A 59 -7.114 8.234 -15.001 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.903 10.314 -16.837 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.535 8.638 -17.191 1.00 0.00 H new ATOM 838 N LEU A 60 -10.121 8.312 -15.638 1.00 0.00 N ATOM 839 CA LEU A 60 -11.547 8.008 -15.601 1.00 0.00 C ATOM 840 C LEU A 60 -12.366 9.253 -15.251 1.00 0.00 C ATOM 841 O LEU A 60 -13.588 9.266 -15.406 1.00 0.00 O ATOM 842 CB LEU A 60 -11.832 6.888 -14.599 1.00 0.00 C ATOM 843 CG LEU A 60 -12.206 5.542 -15.225 1.00 0.00 C ATOM 844 CD1 LEU A 60 -13.413 5.689 -16.141 1.00 0.00 C ATOM 845 CD2 LEU A 60 -11.025 4.961 -15.988 1.00 0.00 C ATOM 0 H LEU A 60 -9.596 7.962 -14.837 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.844 7.673 -16.595 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.951 6.748 -13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.643 7.205 -13.943 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.470 4.854 -14.421 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.661 4.720 -16.575 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.263 6.057 -15.567 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.181 6.395 -16.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.310 4.004 -16.426 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.730 5.649 -16.780 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.188 4.813 -15.305 1.00 0.00 H new ATOM 857 N GLY A 61 -11.691 10.298 -14.784 1.00 0.00 N ATOM 858 CA GLY A 61 -12.368 11.550 -14.499 1.00 0.00 C ATOM 859 C GLY A 61 -12.238 11.968 -13.053 1.00 0.00 C ATOM 860 O GLY A 61 -12.513 13.115 -12.697 1.00 0.00 O ATOM 0 H GLY A 61 -10.688 10.301 -14.598 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.959 12.333 -15.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.424 11.453 -14.751 1.00 0.00 H new ATOM 864 N TYR A 62 -11.819 11.041 -12.217 1.00 0.00 N ATOM 865 CA TYR A 62 -11.644 11.314 -10.803 1.00 0.00 C ATOM 866 C TYR A 62 -10.181 11.610 -10.519 1.00 0.00 C ATOM 867 O TYR A 62 -9.321 11.380 -11.367 1.00 0.00 O ATOM 868 CB TYR A 62 -12.122 10.120 -9.968 1.00 0.00 C ATOM 869 CG TYR A 62 -13.366 9.452 -10.516 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.629 9.969 -10.252 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.278 8.303 -11.294 1.00 0.00 C ATOM 872 CE1 TYR A 62 -15.767 9.363 -10.752 1.00 0.00 C ATOM 873 CE2 TYR A 62 -14.411 7.695 -11.799 1.00 0.00 C ATOM 874 CZ TYR A 62 -15.652 8.224 -11.520 1.00 0.00 C ATOM 875 OH TYR A 62 -16.781 7.621 -12.029 1.00 0.00 O ATOM 0 H TYR A 62 -11.592 10.086 -12.493 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.241 12.184 -10.529 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.320 9.384 -9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.319 10.456 -8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.723 10.858 -9.647 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.308 7.879 -11.507 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.741 9.780 -10.542 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -14.324 6.809 -12.410 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.524 6.831 -12.548 1.00 0.00 H new ATOM 885 N LYS A 63 -9.896 12.134 -9.342 1.00 0.00 N ATOM 886 CA LYS A 63 -8.531 12.448 -8.976 1.00 0.00 C ATOM 887 C LYS A 63 -8.040 11.457 -7.941 1.00 0.00 C ATOM 888 O LYS A 63 -8.663 11.280 -6.896 1.00 0.00 O ATOM 889 CB LYS A 63 -8.434 13.873 -8.435 1.00 0.00 C ATOM 890 CG LYS A 63 -8.555 14.941 -9.507 1.00 0.00 C ATOM 891 CD LYS A 63 -7.246 15.685 -9.697 1.00 0.00 C ATOM 892 CE LYS A 63 -6.774 15.619 -11.138 1.00 0.00 C ATOM 893 NZ LYS A 63 -5.389 16.127 -11.288 1.00 0.00 N ATOM 0 H LYS A 63 -10.590 12.350 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.903 12.378 -9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.218 14.025 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.481 13.993 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.854 14.481 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.340 15.646 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.372 16.727 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.485 15.258 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.823 14.588 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.445 16.203 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.103 16.066 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.347 17.118 -10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.744 15.554 -10.707 1.00 0.00 H new ATOM 907 N ALA A 64 -6.935 10.806 -8.242 1.00 0.00 N ATOM 908 CA ALA A 64 -6.365 9.812 -7.355 1.00 0.00 C ATOM 909 C ALA A 64 -4.850 9.908 -7.361 1.00 0.00 C ATOM 910 O ALA A 64 -4.240 10.184 -8.394 1.00 0.00 O ATOM 911 CB ALA A 64 -6.811 8.416 -7.760 1.00 0.00 C ATOM 0 H ALA A 64 -6.409 10.950 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.722 10.006 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.373 7.683 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.898 8.352 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.482 8.210 -8.779 1.00 0.00 H new ATOM 917 N THR A 65 -4.253 9.703 -6.206 1.00 0.00 N ATOM 918 CA THR A 65 -2.810 9.730 -6.081 1.00 0.00 C ATOM 919 C THR A 65 -2.325 8.472 -5.377 1.00 0.00 C ATOM 920 O THR A 65 -2.901 8.060 -4.365 1.00 0.00 O ATOM 921 CB THR A 65 -2.345 10.969 -5.291 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.474 11.599 -4.667 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.645 11.966 -6.203 1.00 0.00 C ATOM 0 H THR A 65 -4.748 9.515 -5.334 1.00 0.00 H new ATOM 0 HA THR A 65 -2.386 9.777 -7.084 1.00 0.00 H new ATOM 0 HB THR A 65 -1.638 10.642 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.174 12.385 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.327 12.831 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.774 11.494 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.332 12.288 -6.985 1.00 0.00 H new ATOM 931 N LEU A 66 -1.293 7.848 -5.929 1.00 0.00 N ATOM 932 CA LEU A 66 -0.702 6.673 -5.313 1.00 0.00 C ATOM 933 C LEU A 66 -0.036 7.067 -3.998 1.00 0.00 C ATOM 934 O LEU A 66 1.009 7.722 -3.985 1.00 0.00 O ATOM 935 CB LEU A 66 0.309 6.008 -6.260 1.00 0.00 C ATOM 936 CG LEU A 66 1.333 6.949 -6.903 1.00 0.00 C ATOM 937 CD1 LEU A 66 2.710 6.304 -6.915 1.00 0.00 C ATOM 938 CD2 LEU A 66 0.907 7.320 -8.316 1.00 0.00 C ATOM 0 H LEU A 66 -0.850 8.137 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.489 5.947 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.847 5.239 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.242 5.503 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 66 1.382 7.862 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.427 6.985 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.019 6.088 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.672 5.377 -7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.647 7.989 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.829 6.417 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.061 7.820 -8.285 1.00 0.00 H new ATOM 950 N ALA A 67 -0.653 6.679 -2.898 1.00 0.00 N ATOM 951 CA ALA A 67 -0.193 7.080 -1.582 1.00 0.00 C ATOM 952 C ALA A 67 -0.396 5.947 -0.594 1.00 0.00 C ATOM 953 O ALA A 67 -1.477 5.787 -0.015 1.00 0.00 O ATOM 954 CB ALA A 67 -0.924 8.334 -1.128 1.00 0.00 C ATOM 0 H ALA A 67 -1.480 6.082 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 67 0.872 7.307 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.569 8.624 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.732 9.142 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.995 8.136 -1.086 1.00 0.00 H new