USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 277 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 31 SER OG : rot 141:sc= 0.504 USER MOD Set 1.2: A 33 LYS NZ :NH3+ -114:sc= 0.557 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.067 K(o=0.27,f=-2.1) USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= 0.338 USER MOD Single : A 1 ASP N :NH3+ -178:sc= 0 (180deg=-0.00606) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 145:sc= 0.0992 USER MOD Single : A 25 SER OG : rot -70:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc=-0.00845 X(o=-0.0085,f=-0.18) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0342 (180deg=-0.345) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.787 -2.097 12.172 1.00 1.00 N ATOM 2 CA ASP A 1 9.159 -1.495 10.988 1.00 1.00 C ATOM 3 C ASP A 1 8.148 -0.437 11.408 1.00 1.00 C ATOM 4 O ASP A 1 6.937 -0.659 11.351 1.00 1.00 O ATOM 5 CB ASP A 1 8.556 -2.566 10.077 1.00 1.00 C ATOM 6 CG ASP A 1 9.632 -3.415 9.421 1.00 1.00 C ATOM 7 OD1 ASP A 1 10.740 -2.877 9.207 1.00 1.00 O ATOM 8 OD2 ASP A 1 9.365 -4.598 9.102 1.00 1.00 O ATOM 0 H1 ASP A 1 10.499 -2.793 11.871 1.00 1.00 H new ATOM 0 H2 ASP A 1 10.246 -1.354 12.737 1.00 1.00 H new ATOM 0 H3 ASP A 1 9.061 -2.571 12.747 1.00 1.00 H new ATOM 0 HA ASP A 1 9.925 -0.991 10.398 1.00 1.00 H new ATOM 0 HB2 ASP A 1 7.891 -3.206 10.657 1.00 1.00 H new ATOM 0 HB3 ASP A 1 7.949 -2.090 9.308 1.00 1.00 H new ATOM 15 N GLU A 2 8.650 0.725 11.832 1.00 1.00 N ATOM 16 CA GLU A 2 7.887 1.824 12.438 1.00 1.00 C ATOM 17 C GLU A 2 6.732 2.331 11.562 1.00 1.00 C ATOM 18 O GLU A 2 5.723 2.815 12.082 1.00 1.00 O ATOM 19 CB GLU A 2 8.857 2.977 12.763 1.00 1.00 C ATOM 20 CG GLU A 2 9.420 3.651 11.498 1.00 1.00 C ATOM 21 CD GLU A 2 10.523 4.652 11.811 1.00 1.00 C ATOM 22 OE1 GLU A 2 11.697 4.241 11.899 1.00 1.00 O ATOM 23 OE2 GLU A 2 10.240 5.870 11.891 1.00 1.00 O ATOM 0 H GLU A 2 9.645 0.937 11.760 1.00 1.00 H new ATOM 0 HA GLU A 2 7.421 1.437 13.344 1.00 1.00 H new ATOM 0 HB2 GLU A 2 8.340 3.722 13.368 1.00 1.00 H new ATOM 0 HB3 GLU A 2 9.682 2.595 13.364 1.00 1.00 H new ATOM 0 HG2 GLU A 2 9.808 2.886 10.825 1.00 1.00 H new ATOM 0 HG3 GLU A 2 8.612 4.159 10.971 1.00 1.00 H new ATOM 30 N ALA A 3 6.884 2.232 10.240 1.00 1.00 N ATOM 31 CA ALA A 3 5.940 2.681 9.235 1.00 1.00 C ATOM 32 C ALA A 3 6.095 1.786 8.015 1.00 1.00 C ATOM 33 O ALA A 3 7.211 1.340 7.711 1.00 1.00 O ATOM 34 CB ALA A 3 6.232 4.139 8.874 1.00 1.00 C ATOM 0 H ALA A 3 7.717 1.812 9.827 1.00 1.00 H new ATOM 0 HA ALA A 3 4.918 2.622 9.609 1.00 1.00 H new ATOM 0 HB1 ALA A 3 5.522 4.476 8.119 1.00 1.00 H new ATOM 0 HB2 ALA A 3 6.137 4.760 9.764 1.00 1.00 H new ATOM 0 HB3 ALA A 3 7.246 4.221 8.482 1.00 1.00 H new ATOM 40 N ILE A 4 4.985 1.522 7.330 1.00 1.00 N ATOM 41 CA ILE A 4 4.915 0.605 6.204 1.00 1.00 C ATOM 42 C ILE A 4 5.414 1.324 4.951 1.00 1.00 C ATOM 43 O ILE A 4 4.671 2.051 4.292 1.00 1.00 O ATOM 44 CB ILE A 4 3.506 -0.037 6.116 1.00 1.00 C ATOM 45 CG1 ILE A 4 3.361 -0.986 4.907 1.00 1.00 C ATOM 46 CG2 ILE A 4 2.337 0.969 6.150 1.00 1.00 C ATOM 47 CD1 ILE A 4 4.355 -2.150 4.931 1.00 1.00 C ATOM 0 H ILE A 4 4.088 1.953 7.552 1.00 1.00 H new ATOM 0 HA ILE A 4 5.579 -0.250 6.331 1.00 1.00 H new ATOM 0 HB ILE A 4 3.432 -0.624 7.032 1.00 1.00 H new ATOM 0 HG12 ILE A 4 2.346 -1.384 4.885 1.00 1.00 H new ATOM 0 HG13 ILE A 4 3.500 -0.417 3.988 1.00 1.00 H new ATOM 0 HG21 ILE A 4 1.392 0.431 6.083 1.00 1.00 H new ATOM 0 HG22 ILE A 4 2.369 1.532 7.083 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.423 1.656 5.308 1.00 1.00 H new ATOM 0 HD11 ILE A 4 4.200 -2.779 4.054 1.00 1.00 H new ATOM 0 HD12 ILE A 4 5.373 -1.760 4.922 1.00 1.00 H new ATOM 0 HD13 ILE A 4 4.201 -2.741 5.834 1.00 1.00 H new ATOM 59 N ARG A 5 6.702 1.167 4.643 1.00 1.00 N ATOM 60 CA ARG A 5 7.276 1.678 3.401 1.00 1.00 C ATOM 61 C ARG A 5 7.155 0.625 2.309 1.00 1.00 C ATOM 62 O ARG A 5 7.044 -0.560 2.633 1.00 1.00 O ATOM 63 CB ARG A 5 8.724 2.158 3.623 1.00 1.00 C ATOM 64 CG ARG A 5 9.726 1.063 4.017 1.00 1.00 C ATOM 65 CD ARG A 5 10.275 0.215 2.852 1.00 1.00 C ATOM 66 NE ARG A 5 10.962 -0.979 3.356 1.00 1.00 N ATOM 67 CZ ARG A 5 10.372 -2.007 3.976 1.00 1.00 C ATOM 68 NH1 ARG A 5 9.047 -2.143 3.996 1.00 1.00 N ATOM 69 NH2 ARG A 5 11.120 -2.899 4.603 1.00 1.00 N ATOM 0 H ARG A 5 7.371 0.685 5.244 1.00 1.00 H new ATOM 0 HA ARG A 5 6.717 2.553 3.069 1.00 1.00 H new ATOM 0 HB2 ARG A 5 9.075 2.636 2.709 1.00 1.00 H new ATOM 0 HB3 ARG A 5 8.721 2.921 4.401 1.00 1.00 H new ATOM 0 HG2 ARG A 5 10.566 1.531 4.530 1.00 1.00 H new ATOM 0 HG3 ARG A 5 9.246 0.397 4.734 1.00 1.00 H new ATOM 0 HD2 ARG A 5 9.457 -0.081 2.195 1.00 1.00 H new ATOM 0 HD3 ARG A 5 10.964 0.812 2.255 1.00 1.00 H new ATOM 0 HE ARG A 5 11.972 -1.030 3.223 1.00 1.00 H new ATOM 0 HH11 ARG A 5 8.456 -1.453 3.531 1.00 1.00 H new ATOM 0 HH12 ARG A 5 8.623 -2.937 4.476 1.00 1.00 H new ATOM 0 HH21 ARG A 5 12.135 -2.799 4.610 1.00 1.00 H new ATOM 0 HH22 ARG A 5 10.682 -3.687 5.080 1.00 1.00 H new ATOM 83 N CYS A 6 7.321 1.020 1.048 1.00 1.00 N ATOM 84 CA CYS A 6 7.351 0.130 -0.106 1.00 1.00 C ATOM 85 C CYS A 6 8.647 0.265 -0.900 1.00 1.00 C ATOM 86 O CYS A 6 9.455 1.169 -0.665 1.00 1.00 O ATOM 87 CB CYS A 6 6.175 0.469 -1.036 1.00 1.00 C ATOM 88 SG CYS A 6 6.019 2.206 -1.552 1.00 1.00 S ATOM 0 H CYS A 6 7.442 2.001 0.796 1.00 1.00 H new ATOM 0 HA CYS A 6 7.280 -0.892 0.265 1.00 1.00 H new ATOM 0 HB2 CYS A 6 6.261 -0.146 -1.932 1.00 1.00 H new ATOM 0 HB3 CYS A 6 5.251 0.178 -0.537 1.00 1.00 H new ATOM 93 N THR A 7 8.819 -0.631 -1.872 1.00 1.00 N ATOM 94 CA THR A 7 9.895 -0.585 -2.847 1.00 1.00 C ATOM 95 C THR A 7 9.232 -0.158 -4.168 1.00 1.00 C ATOM 96 O THR A 7 9.719 0.773 -4.812 1.00 1.00 O ATOM 97 CB THR A 7 10.648 -1.924 -2.914 1.00 1.00 C ATOM 98 OG1 THR A 7 11.019 -2.339 -1.607 1.00 1.00 O ATOM 99 CG2 THR A 7 11.916 -1.782 -3.757 1.00 1.00 C ATOM 0 H THR A 7 8.195 -1.427 -2.001 1.00 1.00 H new ATOM 0 HA THR A 7 10.675 0.129 -2.583 1.00 1.00 H new ATOM 0 HB THR A 7 9.987 -2.663 -3.368 1.00 1.00 H new ATOM 0 HG1 THR A 7 11.497 -3.193 -1.658 1.00 1.00 H new ATOM 0 HG21 THR A 7 12.437 -2.739 -3.794 1.00 1.00 H new ATOM 0 HG22 THR A 7 11.648 -1.475 -4.768 1.00 1.00 H new ATOM 0 HG23 THR A 7 12.568 -1.031 -3.310 1.00 1.00 H new ATOM 107 N GLY A 8 8.084 -0.745 -4.524 1.00 1.00 N ATOM 108 CA GLY A 8 7.244 -0.366 -5.650 1.00 1.00 C ATOM 109 C GLY A 8 5.771 -0.516 -5.265 1.00 1.00 C ATOM 110 O GLY A 8 5.440 -1.123 -4.247 1.00 1.00 O ATOM 0 H GLY A 8 7.703 -1.536 -4.005 1.00 1.00 H new ATOM 0 HA2 GLY A 8 7.451 0.664 -5.941 1.00 1.00 H new ATOM 0 HA3 GLY A 8 7.470 -0.993 -6.513 1.00 1.00 H new ATOM 114 N THR A 9 4.864 -0.019 -6.104 1.00 1.00 N ATOM 115 CA THR A 9 3.421 0.074 -5.861 1.00 1.00 C ATOM 116 C THR A 9 2.780 -1.266 -5.464 1.00 1.00 C ATOM 117 O THR A 9 1.870 -1.303 -4.628 1.00 1.00 O ATOM 118 CB THR A 9 2.798 0.706 -7.121 1.00 1.00 C ATOM 119 OG1 THR A 9 3.327 2.013 -7.264 1.00 1.00 O ATOM 120 CG2 THR A 9 1.275 0.826 -7.089 1.00 1.00 C ATOM 0 H THR A 9 5.126 0.349 -7.018 1.00 1.00 H new ATOM 0 HA THR A 9 3.226 0.703 -4.992 1.00 1.00 H new ATOM 0 HB THR A 9 3.044 0.042 -7.950 1.00 1.00 H new ATOM 0 HG1 THR A 9 2.945 2.435 -8.062 1.00 1.00 H new ATOM 0 HG21 THR A 9 0.926 1.281 -8.016 1.00 1.00 H new ATOM 0 HG22 THR A 9 0.834 -0.165 -6.983 1.00 1.00 H new ATOM 0 HG23 THR A 9 0.977 1.448 -6.245 1.00 1.00 H new ATOM 128 N LYS A 10 3.266 -2.381 -6.018 1.00 1.00 N ATOM 129 CA LYS A 10 2.789 -3.716 -5.661 1.00 1.00 C ATOM 130 C LYS A 10 2.952 -4.012 -4.167 1.00 1.00 C ATOM 131 O LYS A 10 2.078 -4.655 -3.589 1.00 1.00 O ATOM 132 CB LYS A 10 3.465 -4.792 -6.528 1.00 1.00 C ATOM 133 CG LYS A 10 5.007 -4.729 -6.582 1.00 1.00 C ATOM 134 CD LYS A 10 5.535 -4.182 -7.919 1.00 1.00 C ATOM 135 CE LYS A 10 7.064 -4.243 -7.935 1.00 1.00 C ATOM 136 NZ LYS A 10 7.632 -4.078 -9.286 1.00 1.00 N ATOM 0 H LYS A 10 4.001 -2.381 -6.726 1.00 1.00 H new ATOM 0 HA LYS A 10 1.719 -3.741 -5.867 1.00 1.00 H new ATOM 0 HB2 LYS A 10 3.172 -5.773 -6.154 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.079 -4.710 -7.544 1.00 1.00 H new ATOM 0 HG2 LYS A 10 5.369 -4.100 -5.769 1.00 1.00 H new ATOM 0 HG3 LYS A 10 5.413 -5.727 -6.417 1.00 1.00 H new ATOM 0 HD2 LYS A 10 5.130 -4.764 -8.746 1.00 1.00 H new ATOM 0 HD3 LYS A 10 5.201 -3.154 -8.059 1.00 1.00 H new ATOM 0 HE2 LYS A 10 7.460 -3.465 -7.283 1.00 1.00 H new ATOM 0 HE3 LYS A 10 7.389 -5.199 -7.524 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 8.670 -4.128 -9.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 7.279 -4.835 -9.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 7.349 -3.155 -9.671 1.00 1.00 H new ATOM 150 N ASP A 11 4.012 -3.507 -3.529 1.00 1.00 N ATOM 151 CA ASP A 11 4.311 -3.790 -2.126 1.00 1.00 C ATOM 152 C ASP A 11 3.272 -3.167 -1.201 1.00 1.00 C ATOM 153 O ASP A 11 3.205 -3.562 -0.042 1.00 1.00 O ATOM 154 CB ASP A 11 5.686 -3.256 -1.703 1.00 1.00 C ATOM 155 CG ASP A 11 6.854 -3.893 -2.434 1.00 1.00 C ATOM 156 OD1 ASP A 11 7.067 -5.124 -2.343 1.00 1.00 O ATOM 157 OD2 ASP A 11 7.600 -3.156 -3.110 1.00 1.00 O ATOM 0 H ASP A 11 4.689 -2.888 -3.975 1.00 1.00 H new ATOM 0 HA ASP A 11 4.300 -4.876 -2.038 1.00 1.00 H new ATOM 0 HB2 ASP A 11 5.712 -2.179 -1.870 1.00 1.00 H new ATOM 0 HB3 ASP A 11 5.811 -3.416 -0.632 1.00 1.00 H new ATOM 162 N CYS A 12 2.485 -2.191 -1.669 1.00 1.00 N ATOM 163 CA CYS A 12 1.370 -1.647 -0.904 1.00 1.00 C ATOM 164 C CYS A 12 0.097 -2.412 -1.224 1.00 1.00 C ATOM 165 O CYS A 12 -0.656 -2.742 -0.311 1.00 1.00 O ATOM 166 CB CYS A 12 1.173 -0.162 -1.200 1.00 1.00 C ATOM 167 SG CYS A 12 2.636 0.831 -0.867 1.00 1.00 S ATOM 0 H CYS A 12 2.607 -1.761 -2.586 1.00 1.00 H new ATOM 0 HA CYS A 12 1.600 -1.756 0.156 1.00 1.00 H new ATOM 0 HB2 CYS A 12 0.891 -0.042 -2.246 1.00 1.00 H new ATOM 0 HB3 CYS A 12 0.343 0.214 -0.601 1.00 1.00 H new ATOM 172 N TYR A 13 -0.163 -2.674 -2.510 1.00 1.00 N ATOM 173 CA TYR A 13 -1.391 -3.341 -2.920 1.00 1.00 C ATOM 174 C TYR A 13 -1.536 -4.713 -2.266 1.00 1.00 C ATOM 175 O TYR A 13 -2.656 -5.050 -1.905 1.00 1.00 O ATOM 176 CB TYR A 13 -1.500 -3.438 -4.448 1.00 1.00 C ATOM 177 CG TYR A 13 -2.238 -2.277 -5.091 1.00 1.00 C ATOM 178 CD1 TYR A 13 -3.610 -2.089 -4.836 1.00 1.00 C ATOM 179 CD2 TYR A 13 -1.573 -1.408 -5.972 1.00 1.00 C ATOM 180 CE1 TYR A 13 -4.325 -1.058 -5.473 1.00 1.00 C ATOM 181 CE2 TYR A 13 -2.279 -0.372 -6.613 1.00 1.00 C ATOM 182 CZ TYR A 13 -3.664 -0.199 -6.377 1.00 1.00 C ATOM 183 OH TYR A 13 -4.346 0.788 -7.026 1.00 1.00 O ATOM 0 H TYR A 13 0.463 -2.433 -3.279 1.00 1.00 H new ATOM 0 HA TYR A 13 -2.219 -2.725 -2.571 1.00 1.00 H new ATOM 0 HB2 TYR A 13 -0.497 -3.496 -4.870 1.00 1.00 H new ATOM 0 HB3 TYR A 13 -2.009 -4.366 -4.707 1.00 1.00 H new ATOM 0 HD1 TYR A 13 -4.119 -2.743 -4.144 1.00 1.00 H new ATOM 0 HD2 TYR A 13 -0.517 -1.535 -6.158 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -5.377 -0.924 -5.271 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.761 0.294 -7.288 1.00 1.00 H new ATOM 0 HH TYR A 13 -3.731 1.282 -7.608 1.00 1.00 H new ATOM 193 N ILE A 14 -0.456 -5.480 -2.091 1.00 1.00 N ATOM 194 CA ILE A 14 -0.497 -6.793 -1.442 1.00 1.00 C ATOM 195 C ILE A 14 -1.002 -6.665 0.015 1.00 1.00 C ATOM 196 O ILE A 14 -2.132 -7.096 0.293 1.00 1.00 O ATOM 197 CB ILE A 14 0.860 -7.523 -1.639 1.00 1.00 C ATOM 198 CG1 ILE A 14 1.049 -7.884 -3.131 1.00 1.00 C ATOM 199 CG2 ILE A 14 0.961 -8.799 -0.783 1.00 1.00 C ATOM 200 CD1 ILE A 14 2.485 -8.285 -3.497 1.00 1.00 C ATOM 0 H ILE A 14 0.477 -5.205 -2.398 1.00 1.00 H new ATOM 0 HA ILE A 14 -1.232 -7.443 -1.917 1.00 1.00 H new ATOM 0 HB ILE A 14 1.648 -6.843 -1.315 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.377 -8.704 -3.384 1.00 1.00 H new ATOM 0 HG13 ILE A 14 0.754 -7.031 -3.741 1.00 1.00 H new ATOM 0 HG21 ILE A 14 1.926 -9.276 -0.953 1.00 1.00 H new ATOM 0 HG22 ILE A 14 0.866 -8.538 0.271 1.00 1.00 H new ATOM 0 HG23 ILE A 14 0.162 -9.487 -1.060 1.00 1.00 H new ATOM 0 HD11 ILE A 14 2.537 -8.523 -4.559 1.00 1.00 H new ATOM 0 HD12 ILE A 14 3.161 -7.458 -3.277 1.00 1.00 H new ATOM 0 HD13 ILE A 14 2.779 -9.158 -2.915 1.00 1.00 H new ATOM 212 N PRO A 15 -0.243 -6.073 0.962 1.00 1.00 N ATOM 213 CA PRO A 15 -0.651 -6.017 2.356 1.00 1.00 C ATOM 214 C PRO A 15 -1.928 -5.205 2.530 1.00 1.00 C ATOM 215 O PRO A 15 -2.735 -5.563 3.373 1.00 1.00 O ATOM 216 CB PRO A 15 0.517 -5.411 3.138 1.00 1.00 C ATOM 217 CG PRO A 15 1.258 -4.604 2.081 1.00 1.00 C ATOM 218 CD PRO A 15 1.059 -5.446 0.821 1.00 1.00 C ATOM 0 HA PRO A 15 -0.881 -7.015 2.730 1.00 1.00 H new ATOM 0 HB2 PRO A 15 0.170 -4.781 3.957 1.00 1.00 H new ATOM 0 HB3 PRO A 15 1.152 -6.181 3.576 1.00 1.00 H new ATOM 0 HG2 PRO A 15 0.842 -3.603 1.970 1.00 1.00 H new ATOM 0 HG3 PRO A 15 2.313 -4.485 2.327 1.00 1.00 H new ATOM 0 HD2 PRO A 15 1.098 -4.825 -0.074 1.00 1.00 H new ATOM 0 HD3 PRO A 15 1.845 -6.195 0.724 1.00 1.00 H new ATOM 226 N CYS A 16 -2.170 -4.157 1.739 1.00 1.00 N ATOM 227 CA CYS A 16 -3.422 -3.424 1.832 1.00 1.00 C ATOM 228 C CYS A 16 -4.589 -4.317 1.401 1.00 1.00 C ATOM 229 O CYS A 16 -5.558 -4.444 2.140 1.00 1.00 O ATOM 230 CB CYS A 16 -3.315 -2.135 1.027 1.00 1.00 C ATOM 231 SG CYS A 16 -4.688 -0.965 1.213 1.00 1.00 S ATOM 0 H CYS A 16 -1.520 -3.805 1.036 1.00 1.00 H new ATOM 0 HA CYS A 16 -3.622 -3.139 2.865 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -2.392 -1.629 1.310 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -3.226 -2.395 -0.028 1.00 1.00 H new ATOM 236 N ARG A 17 -4.508 -5.011 0.262 1.00 1.00 N ATOM 237 CA ARG A 17 -5.542 -5.975 -0.121 1.00 1.00 C ATOM 238 C ARG A 17 -5.671 -7.067 0.938 1.00 1.00 C ATOM 239 O ARG A 17 -6.787 -7.529 1.166 1.00 1.00 O ATOM 240 CB ARG A 17 -5.232 -6.534 -1.517 1.00 1.00 C ATOM 241 CG ARG A 17 -6.304 -7.444 -2.129 1.00 1.00 C ATOM 242 CD ARG A 17 -6.140 -8.932 -1.784 1.00 1.00 C ATOM 243 NE ARG A 17 -7.057 -9.735 -2.602 1.00 1.00 N ATOM 244 CZ ARG A 17 -7.781 -10.794 -2.223 1.00 1.00 C ATOM 245 NH1 ARG A 17 -7.667 -11.338 -1.017 1.00 1.00 N ATOM 246 NH2 ARG A 17 -8.634 -11.322 -3.088 1.00 1.00 N ATOM 0 H ARG A 17 -3.742 -4.924 -0.406 1.00 1.00 H new ATOM 0 HA ARG A 17 -6.511 -5.479 -0.175 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -5.065 -5.696 -2.194 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -4.297 -7.092 -1.464 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -7.285 -7.110 -1.790 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -6.286 -7.330 -3.213 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -5.111 -9.245 -1.961 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -6.345 -9.094 -0.726 1.00 1.00 H new ATOM 0 HE ARG A 17 -7.154 -9.451 -3.577 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -7.009 -10.948 -0.342 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -8.237 -12.146 -0.766 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -8.728 -10.921 -4.021 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -9.197 -12.130 -2.821 1.00 1.00 H new ATOM 260 N TYR A 18 -4.577 -7.475 1.588 1.00 1.00 N ATOM 261 CA TYR A 18 -4.658 -8.475 2.651 1.00 1.00 C ATOM 262 C TYR A 18 -5.330 -7.940 3.933 1.00 1.00 C ATOM 263 O TYR A 18 -6.038 -8.687 4.609 1.00 1.00 O ATOM 264 CB TYR A 18 -3.251 -9.019 2.941 1.00 1.00 C ATOM 265 CG TYR A 18 -3.237 -10.465 3.391 1.00 1.00 C ATOM 266 CD1 TYR A 18 -3.504 -11.478 2.451 1.00 1.00 C ATOM 267 CD2 TYR A 18 -2.938 -10.809 4.722 1.00 1.00 C ATOM 268 CE1 TYR A 18 -3.459 -12.830 2.830 1.00 1.00 C ATOM 269 CE2 TYR A 18 -2.890 -12.162 5.109 1.00 1.00 C ATOM 270 CZ TYR A 18 -3.141 -13.177 4.159 1.00 1.00 C ATOM 271 OH TYR A 18 -3.035 -14.493 4.491 1.00 1.00 O ATOM 0 H TYR A 18 -3.636 -7.131 1.398 1.00 1.00 H new ATOM 0 HA TYR A 18 -5.299 -9.284 2.301 1.00 1.00 H new ATOM 0 HB2 TYR A 18 -2.641 -8.922 2.043 1.00 1.00 H new ATOM 0 HB3 TYR A 18 -2.785 -8.404 3.711 1.00 1.00 H new ATOM 0 HD1 TYR A 18 -3.745 -11.214 1.432 1.00 1.00 H new ATOM 0 HD2 TYR A 18 -2.745 -10.034 5.449 1.00 1.00 H new ATOM 0 HE1 TYR A 18 -3.668 -13.602 2.104 1.00 1.00 H new ATOM 0 HE2 TYR A 18 -2.661 -12.424 6.132 1.00 1.00 H new ATOM 0 HH TYR A 18 -2.810 -14.574 5.441 1.00 1.00 H new ATOM 281 N ILE A 19 -5.032 -6.702 4.332 1.00 1.00 N ATOM 282 CA ILE A 19 -5.470 -6.035 5.559 1.00 1.00 C ATOM 283 C ILE A 19 -6.766 -5.250 5.304 1.00 1.00 C ATOM 284 O ILE A 19 -7.846 -5.692 5.698 1.00 1.00 O ATOM 285 CB ILE A 19 -4.302 -5.201 6.149 1.00 1.00 C ATOM 286 CG1 ILE A 19 -3.070 -6.100 6.442 1.00 1.00 C ATOM 287 CG2 ILE A 19 -4.736 -4.489 7.442 1.00 1.00 C ATOM 288 CD1 ILE A 19 -1.769 -5.325 6.662 1.00 1.00 C ATOM 0 H ILE A 19 -4.437 -6.097 3.766 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.727 -6.764 6.327 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.026 -4.453 5.406 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.276 -6.702 7.327 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.932 -6.791 5.611 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -3.901 -3.911 7.837 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.570 -3.821 7.227 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.045 -5.230 8.179 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -0.958 -6.025 6.861 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -1.536 -4.744 5.770 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -1.885 -4.653 7.513 1.00 1.00 H new ATOM 300 N THR A 20 -6.664 -4.090 4.653 1.00 1.00 N ATOM 301 CA THR A 20 -7.747 -3.177 4.282 1.00 1.00 C ATOM 302 C THR A 20 -8.827 -3.870 3.444 1.00 1.00 C ATOM 303 O THR A 20 -9.975 -3.426 3.456 1.00 1.00 O ATOM 304 CB THR A 20 -7.118 -2.000 3.505 1.00 1.00 C ATOM 305 OG1 THR A 20 -6.131 -1.382 4.316 1.00 1.00 O ATOM 306 CG2 THR A 20 -8.094 -0.936 2.992 1.00 1.00 C ATOM 0 H THR A 20 -5.756 -3.738 4.349 1.00 1.00 H new ATOM 0 HA THR A 20 -8.247 -2.822 5.183 1.00 1.00 H new ATOM 0 HB THR A 20 -6.694 -2.447 2.606 1.00 1.00 H new ATOM 0 HG1 THR A 20 -5.392 -1.072 3.752 1.00 1.00 H new ATOM 0 HG21 THR A 20 -7.541 -0.160 2.463 1.00 1.00 H new ATOM 0 HG22 THR A 20 -8.811 -1.397 2.313 1.00 1.00 H new ATOM 0 HG23 THR A 20 -8.625 -0.493 3.835 1.00 1.00 H new ATOM 314 N GLY A 21 -8.493 -4.949 2.732 1.00 1.00 N ATOM 315 CA GLY A 21 -9.437 -5.703 1.928 1.00 1.00 C ATOM 316 C GLY A 21 -9.633 -5.015 0.581 1.00 1.00 C ATOM 317 O GLY A 21 -9.301 -5.583 -0.469 1.00 1.00 O ATOM 0 H GLY A 21 -7.544 -5.322 2.702 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -9.071 -6.719 1.778 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -10.391 -5.781 2.449 1.00 1.00 H new ATOM 321 N CYS A 22 -10.162 -3.793 0.626 1.00 1.00 N ATOM 322 CA CYS A 22 -10.523 -2.981 -0.520 1.00 1.00 C ATOM 323 C CYS A 22 -9.275 -2.550 -1.296 1.00 1.00 C ATOM 324 O CYS A 22 -8.286 -2.080 -0.729 1.00 1.00 O ATOM 325 CB CYS A 22 -11.356 -1.782 -0.062 1.00 1.00 C ATOM 326 SG CYS A 22 -12.722 -2.227 1.042 1.00 1.00 S ATOM 0 H CYS A 22 -10.358 -3.325 1.511 1.00 1.00 H new ATOM 0 HA CYS A 22 -11.132 -3.573 -1.203 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -10.705 -1.071 0.447 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -11.759 -1.274 -0.938 1.00 1.00 H new ATOM 331 N PHE A 23 -9.312 -2.727 -2.615 1.00 1.00 N ATOM 332 CA PHE A 23 -8.193 -2.491 -3.515 1.00 1.00 C ATOM 333 C PHE A 23 -8.050 -0.991 -3.834 1.00 1.00 C ATOM 334 O PHE A 23 -8.363 -0.568 -4.948 1.00 1.00 O ATOM 335 CB PHE A 23 -8.415 -3.366 -4.768 1.00 1.00 C ATOM 336 CG PHE A 23 -7.287 -3.382 -5.785 1.00 1.00 C ATOM 337 CD1 PHE A 23 -6.205 -4.269 -5.629 1.00 1.00 C ATOM 338 CD2 PHE A 23 -7.335 -2.541 -6.914 1.00 1.00 C ATOM 339 CE1 PHE A 23 -5.168 -4.289 -6.581 1.00 1.00 C ATOM 340 CE2 PHE A 23 -6.289 -2.550 -7.850 1.00 1.00 C ATOM 341 CZ PHE A 23 -5.206 -3.427 -7.688 1.00 1.00 C ATOM 0 H PHE A 23 -10.150 -3.049 -3.099 1.00 1.00 H new ATOM 0 HA PHE A 23 -7.247 -2.774 -3.053 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -8.597 -4.390 -4.442 1.00 1.00 H new ATOM 0 HB3 PHE A 23 -9.322 -3.025 -5.268 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -6.170 -4.934 -4.779 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -8.181 -1.886 -7.060 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -4.339 -4.971 -6.459 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -6.318 -1.880 -8.697 1.00 1.00 H new ATOM 0 HZ PHE A 23 -4.405 -3.439 -8.412 1.00 1.00 H new ATOM 351 N ASN A 24 -7.602 -0.151 -2.895 1.00 1.00 N ATOM 352 CA ASN A 24 -7.296 1.262 -3.181 1.00 1.00 C ATOM 353 C ASN A 24 -6.065 1.697 -2.386 1.00 1.00 C ATOM 354 O ASN A 24 -6.170 2.365 -1.350 1.00 1.00 O ATOM 355 CB ASN A 24 -8.511 2.185 -2.984 1.00 1.00 C ATOM 356 CG ASN A 24 -8.315 3.514 -3.718 1.00 1.00 C ATOM 357 OD1 ASN A 24 -7.233 3.833 -4.209 1.00 1.00 O ATOM 358 ND2 ASN A 24 -9.356 4.322 -3.826 1.00 1.00 N ATOM 0 H ASN A 24 -7.441 -0.423 -1.925 1.00 1.00 H new ATOM 0 HA ASN A 24 -7.055 1.355 -4.240 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -9.411 1.691 -3.352 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.662 2.371 -1.921 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.263 5.211 -4.317 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -10.252 4.056 -3.418 1.00 1.00 H new ATOM 365 N SER A 25 -4.901 1.282 -2.891 1.00 1.00 N ATOM 366 CA SER A 25 -3.584 1.408 -2.274 1.00 1.00 C ATOM 367 C SER A 25 -2.623 2.217 -3.141 1.00 1.00 C ATOM 368 O SER A 25 -2.780 2.258 -4.363 1.00 1.00 O ATOM 369 CB SER A 25 -3.013 -0.008 -2.092 1.00 1.00 C ATOM 370 OG SER A 25 -4.029 -0.969 -1.842 1.00 1.00 O ATOM 0 H SER A 25 -4.853 0.820 -3.799 1.00 1.00 H new ATOM 0 HA SER A 25 -3.692 1.929 -1.322 1.00 1.00 H new ATOM 0 HB2 SER A 25 -2.459 -0.292 -2.987 1.00 1.00 H new ATOM 0 HB3 SER A 25 -2.304 -0.008 -1.264 1.00 1.00 H new ATOM 0 HG SER A 25 -4.408 -0.820 -0.951 1.00 1.00 H new ATOM 376 N ARG A 26 -1.607 2.842 -2.535 1.00 1.00 N ATOM 377 CA ARG A 26 -0.661 3.690 -3.250 1.00 1.00 C ATOM 378 C ARG A 26 0.627 3.888 -2.444 1.00 1.00 C ATOM 379 O ARG A 26 0.592 3.900 -1.212 1.00 1.00 O ATOM 380 CB ARG A 26 -1.356 5.052 -3.475 1.00 1.00 C ATOM 381 CG ARG A 26 -0.975 5.704 -4.806 1.00 1.00 C ATOM 382 CD ARG A 26 -1.873 6.923 -5.028 1.00 1.00 C ATOM 383 NE ARG A 26 -1.516 7.663 -6.247 1.00 1.00 N ATOM 384 CZ ARG A 26 -2.364 8.086 -7.197 1.00 1.00 C ATOM 385 NH1 ARG A 26 -3.652 7.758 -7.175 1.00 1.00 N ATOM 386 NH2 ARG A 26 -1.908 8.849 -8.179 1.00 1.00 N ATOM 0 H ARG A 26 -1.422 2.771 -1.534 1.00 1.00 H new ATOM 0 HA ARG A 26 -0.381 3.225 -4.195 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -2.437 4.912 -3.441 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -1.096 5.726 -2.659 1.00 1.00 H new ATOM 0 HG2 ARG A 26 0.073 6.003 -4.794 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -1.094 4.993 -5.623 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -2.912 6.599 -5.093 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -1.799 7.588 -4.167 1.00 1.00 H new ATOM 0 HE ARG A 26 -0.528 7.876 -6.384 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -4.016 7.172 -6.424 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -4.276 8.093 -7.909 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -0.922 9.109 -8.207 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -2.543 9.177 -8.907 1.00 1.00 H new ATOM 400 N CYS A 27 1.751 4.031 -3.142 1.00 1.00 N ATOM 401 CA CYS A 27 3.047 4.392 -2.576 1.00 1.00 C ATOM 402 C CYS A 27 3.111 5.910 -2.711 1.00 1.00 C ATOM 403 O CYS A 27 2.786 6.444 -3.779 1.00 1.00 O ATOM 404 CB CYS A 27 4.221 3.837 -3.399 1.00 1.00 C ATOM 405 SG CYS A 27 4.728 2.124 -3.129 1.00 1.00 S ATOM 0 H CYS A 27 1.785 3.894 -4.152 1.00 1.00 H new ATOM 0 HA CYS A 27 3.130 4.004 -1.561 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.967 3.946 -4.454 1.00 1.00 H new ATOM 0 HB3 CYS A 27 5.087 4.472 -3.212 1.00 1.00 H new ATOM 410 N ILE A 28 3.451 6.623 -1.645 1.00 1.00 N ATOM 411 CA ILE A 28 3.700 8.052 -1.699 1.00 1.00 C ATOM 412 C ILE A 28 4.872 8.366 -0.771 1.00 1.00 C ATOM 413 O ILE A 28 4.828 8.027 0.416 1.00 1.00 O ATOM 414 CB ILE A 28 2.406 8.854 -1.452 1.00 1.00 C ATOM 415 CG1 ILE A 28 2.687 10.366 -1.498 1.00 1.00 C ATOM 416 CG2 ILE A 28 1.676 8.472 -0.151 1.00 1.00 C ATOM 417 CD1 ILE A 28 3.274 10.871 -2.819 1.00 1.00 C ATOM 0 H ILE A 28 3.562 6.221 -0.714 1.00 1.00 H new ATOM 0 HA ILE A 28 4.001 8.373 -2.696 1.00 1.00 H new ATOM 0 HB ILE A 28 1.728 8.588 -2.263 1.00 1.00 H new ATOM 0 HG12 ILE A 28 1.757 10.900 -1.302 1.00 1.00 H new ATOM 0 HG13 ILE A 28 3.375 10.618 -0.691 1.00 1.00 H new ATOM 0 HG21 ILE A 28 0.776 9.078 -0.047 1.00 1.00 H new ATOM 0 HG22 ILE A 28 1.401 7.418 -0.184 1.00 1.00 H new ATOM 0 HG23 ILE A 28 2.333 8.649 0.700 1.00 1.00 H new ATOM 0 HD11 ILE A 28 3.438 11.947 -2.757 1.00 1.00 H new ATOM 0 HD12 ILE A 28 4.223 10.370 -3.011 1.00 1.00 H new ATOM 0 HD13 ILE A 28 2.580 10.656 -3.631 1.00 1.00 H new ATOM 429 N ASN A 29 5.922 9.002 -1.304 1.00 1.00 N ATOM 430 CA ASN A 29 7.186 9.274 -0.612 1.00 1.00 C ATOM 431 C ASN A 29 7.628 8.047 0.185 1.00 1.00 C ATOM 432 O ASN A 29 7.752 8.077 1.408 1.00 1.00 O ATOM 433 CB ASN A 29 7.096 10.566 0.222 1.00 1.00 C ATOM 434 CG ASN A 29 7.249 11.793 -0.661 1.00 1.00 C ATOM 435 OD1 ASN A 29 8.272 11.959 -1.318 1.00 1.00 O ATOM 436 ND2 ASN A 29 6.252 12.654 -0.747 1.00 1.00 N ATOM 0 H ASN A 29 5.914 9.353 -2.262 1.00 1.00 H new ATOM 0 HA ASN A 29 7.970 9.460 -1.346 1.00 1.00 H new ATOM 0 HB2 ASN A 29 6.138 10.603 0.740 1.00 1.00 H new ATOM 0 HB3 ASN A 29 7.872 10.565 0.987 1.00 1.00 H new ATOM 0 HD21 ASN A 29 6.329 13.464 -1.363 1.00 1.00 H new ATOM 0 HD22 ASN A 29 5.405 12.510 -0.198 1.00 1.00 H new ATOM 443 N LYS A 30 7.782 6.933 -0.534 1.00 1.00 N ATOM 444 CA LYS A 30 8.095 5.586 -0.066 1.00 1.00 C ATOM 445 C LYS A 30 7.073 4.977 0.898 1.00 1.00 C ATOM 446 O LYS A 30 7.201 3.793 1.192 1.00 1.00 O ATOM 447 CB LYS A 30 9.526 5.547 0.509 1.00 1.00 C ATOM 448 CG LYS A 30 10.200 4.195 0.241 1.00 1.00 C ATOM 449 CD LYS A 30 11.612 4.121 0.834 1.00 1.00 C ATOM 450 CE LYS A 30 12.346 2.849 0.393 1.00 1.00 C ATOM 451 NZ LYS A 30 12.548 2.803 -1.069 1.00 1.00 N ATOM 0 H LYS A 30 7.681 6.956 -1.549 1.00 1.00 H new ATOM 0 HA LYS A 30 8.036 4.943 -0.944 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.120 6.346 0.065 1.00 1.00 H new ATOM 0 HB3 LYS A 30 9.494 5.733 1.583 1.00 1.00 H new ATOM 0 HG2 LYS A 30 9.589 3.397 0.663 1.00 1.00 H new ATOM 0 HG3 LYS A 30 10.250 4.023 -0.834 1.00 1.00 H new ATOM 0 HD2 LYS A 30 12.183 4.996 0.525 1.00 1.00 H new ATOM 0 HD3 LYS A 30 11.552 4.148 1.922 1.00 1.00 H new ATOM 0 HE2 LYS A 30 13.313 2.797 0.894 1.00 1.00 H new ATOM 0 HE3 LYS A 30 11.776 1.975 0.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 13.291 2.111 -1.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 11.661 2.522 -1.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 12.835 3.743 -1.410 1.00 1.00 H new ATOM 465 N SER A 31 6.028 5.684 1.328 1.00 1.00 N ATOM 466 CA SER A 31 5.124 5.192 2.358 1.00 1.00 C ATOM 467 C SER A 31 3.891 4.615 1.679 1.00 1.00 C ATOM 468 O SER A 31 3.361 5.207 0.738 1.00 1.00 O ATOM 469 CB SER A 31 4.732 6.381 3.236 1.00 1.00 C ATOM 470 OG SER A 31 4.055 5.992 4.411 1.00 1.00 O ATOM 0 H SER A 31 5.788 6.609 0.972 1.00 1.00 H new ATOM 0 HA SER A 31 5.593 4.419 2.967 1.00 1.00 H new ATOM 0 HB2 SER A 31 5.629 6.939 3.506 1.00 1.00 H new ATOM 0 HB3 SER A 31 4.097 7.057 2.663 1.00 1.00 H new ATOM 0 HG SER A 31 4.352 6.550 5.160 1.00 1.00 H new ATOM 476 N CYS A 32 3.443 3.450 2.140 1.00 1.00 N ATOM 477 CA CYS A 32 2.199 2.868 1.684 1.00 1.00 C ATOM 478 C CYS A 32 1.053 3.599 2.346 1.00 1.00 C ATOM 479 O CYS A 32 0.986 3.698 3.575 1.00 1.00 O ATOM 480 CB CYS A 32 2.110 1.386 2.040 1.00 1.00 C ATOM 481 SG CYS A 32 3.176 0.339 1.038 1.00 1.00 S ATOM 0 H CYS A 32 3.935 2.891 2.837 1.00 1.00 H new ATOM 0 HA CYS A 32 2.151 2.962 0.599 1.00 1.00 H new ATOM 0 HB2 CYS A 32 2.371 1.257 3.090 1.00 1.00 H new ATOM 0 HB3 CYS A 32 1.078 1.055 1.925 1.00 1.00 H new ATOM 486 N LYS A 33 0.132 4.097 1.531 1.00 1.00 N ATOM 487 CA LYS A 33 -1.109 4.686 2.000 1.00 1.00 C ATOM 488 C LYS A 33 -2.221 3.996 1.232 1.00 1.00 C ATOM 489 O LYS A 33 -2.011 3.512 0.117 1.00 1.00 O ATOM 490 CB LYS A 33 -1.094 6.215 1.807 1.00 1.00 C ATOM 491 CG LYS A 33 -0.058 6.925 2.701 1.00 1.00 C ATOM 492 CD LYS A 33 -0.432 6.906 4.196 1.00 1.00 C ATOM 493 CE LYS A 33 0.761 6.611 5.117 1.00 1.00 C ATOM 494 NZ LYS A 33 1.758 7.700 5.147 1.00 1.00 N ATOM 0 H LYS A 33 0.230 4.102 0.516 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.257 4.539 3.070 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.880 6.442 0.762 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.086 6.613 2.023 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.913 6.448 2.570 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.048 7.959 2.373 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.862 7.870 4.468 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.204 6.154 4.361 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.395 6.434 6.129 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.246 5.692 4.788 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.649 7.367 4.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 1.401 8.512 4.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 1.927 7.989 6.132 1.00 1.00 H new ATOM 508 N CYS A 34 -3.409 3.957 1.813 1.00 1.00 N ATOM 509 CA CYS A 34 -4.589 3.464 1.138 1.00 1.00 C ATOM 510 C CYS A 34 -5.696 4.478 1.334 1.00 1.00 C ATOM 511 O CYS A 34 -5.599 5.390 2.165 1.00 1.00 O ATOM 512 CB CYS A 34 -4.957 2.054 1.626 1.00 1.00 C ATOM 513 SG CYS A 34 -3.722 0.815 1.165 1.00 1.00 S ATOM 0 H CYS A 34 -3.578 4.268 2.769 1.00 1.00 H new ATOM 0 HA CYS A 34 -4.408 3.355 0.069 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -5.067 2.066 2.710 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -5.924 1.770 1.210 1.00 1.00 H new ATOM 518 N TYR A 35 -6.761 4.310 0.566 1.00 1.00 N ATOM 519 CA TYR A 35 -7.945 5.151 0.665 1.00 1.00 C ATOM 520 C TYR A 35 -9.065 4.353 1.324 1.00 1.00 C ATOM 521 O TYR A 35 -10.234 4.554 0.994 1.00 1.00 O ATOM 522 CB TYR A 35 -8.278 5.697 -0.724 1.00 1.00 C ATOM 523 CG TYR A 35 -7.187 6.608 -1.262 1.00 1.00 C ATOM 524 CD1 TYR A 35 -7.181 7.962 -0.887 1.00 1.00 C ATOM 525 CD2 TYR A 35 -6.146 6.106 -2.068 1.00 1.00 C ATOM 526 CE1 TYR A 35 -6.144 8.807 -1.313 1.00 1.00 C ATOM 527 CE2 TYR A 35 -5.116 6.957 -2.515 1.00 1.00 C ATOM 528 CZ TYR A 35 -5.112 8.320 -2.140 1.00 1.00 C ATOM 529 OH TYR A 35 -4.124 9.160 -2.560 1.00 1.00 O ATOM 0 H TYR A 35 -6.829 3.584 -0.147 1.00 1.00 H new ATOM 0 HA TYR A 35 -7.783 6.021 1.301 1.00 1.00 H new ATOM 0 HB2 TYR A 35 -8.426 4.865 -1.413 1.00 1.00 H new ATOM 0 HB3 TYR A 35 -9.218 6.246 -0.680 1.00 1.00 H new ATOM 0 HD1 TYR A 35 -7.976 8.354 -0.270 1.00 1.00 H new ATOM 0 HD2 TYR A 35 -6.138 5.062 -2.345 1.00 1.00 H new ATOM 0 HE1 TYR A 35 -6.137 9.842 -1.004 1.00 1.00 H new ATOM 0 HE2 TYR A 35 -4.329 6.568 -3.144 1.00 1.00 H new ATOM 0 HH TYR A 35 -3.491 8.666 -3.121 1.00 1.00 H new ATOM 539 N GLY A 36 -8.708 3.447 2.242 1.00 1.00 N ATOM 540 CA GLY A 36 -9.619 2.503 2.858 1.00 1.00 C ATOM 541 C GLY A 36 -10.420 1.828 1.760 1.00 1.00 C ATOM 542 O GLY A 36 -9.847 1.193 0.873 1.00 1.00 O ATOM 0 H GLY A 36 -7.750 3.356 2.579 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.065 1.762 3.434 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.284 3.015 3.553 1.00 1.00 H new ATOM 546 N CYS A 37 -11.728 2.057 1.774 1.00 1.00 N ATOM 547 CA CYS A 37 -12.677 1.492 0.843 1.00 1.00 C ATOM 548 C CYS A 37 -13.385 2.583 0.029 1.00 1.00 C ATOM 549 O CYS A 37 -14.559 2.415 -0.309 1.00 1.00 O ATOM 550 CB CYS A 37 -13.634 0.590 1.630 1.00 1.00 C ATOM 551 SG CYS A 37 -14.177 -0.852 0.695 1.00 1.00 S ATOM 0 H CYS A 37 -12.166 2.667 2.465 1.00 1.00 H new ATOM 0 HA CYS A 37 -12.167 0.882 0.097 1.00 1.00 H new ATOM 0 HB2 CYS A 37 -13.142 0.258 2.544 1.00 1.00 H new ATOM 0 HB3 CYS A 37 -14.506 1.170 1.930 1.00 1.00 H new ATOM 556 N THR A 38 -12.696 3.677 -0.313 1.00 1.00 N ATOM 557 CA THR A 38 -13.276 4.821 -1.020 1.00 1.00 C ATOM 558 C THR A 38 -14.428 5.374 -0.170 1.00 1.00 C ATOM 559 O THR A 38 -14.151 5.723 1.002 1.00 1.00 O ATOM 560 CB THR A 38 -13.545 4.418 -2.496 1.00 1.00 C ATOM 561 OG1 THR A 38 -12.287 4.336 -3.157 1.00 1.00 O ATOM 562 CG2 THR A 38 -14.424 5.349 -3.342 1.00 1.00 C ATOM 563 OXT THR A 38 -15.554 5.593 -0.659 1.00 1.00 O ATOM 0 H THR A 38 -11.705 3.793 -0.103 1.00 1.00 H new ATOM 0 HA THR A 38 -12.611 5.678 -1.129 1.00 1.00 H new ATOM 0 HB THR A 38 -14.104 3.485 -2.420 1.00 1.00 H new ATOM 0 HG1 THR A 38 -12.425 4.081 -4.093 1.00 1.00 H new ATOM 0 HG21 THR A 38 -14.524 4.941 -4.348 1.00 1.00 H new ATOM 0 HG22 THR A 38 -15.410 5.433 -2.885 1.00 1.00 H new ATOM 0 HG23 THR A 38 -13.963 6.335 -3.395 1.00 1.00 H new TER 571 THR A 38