USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 253 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc=-0.00756 (180deg=-0.0965) USER MOD Single : A 15 LYS NZ :NH3+ 127:sc= -0.205 (180deg=-0.896) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -0.383 (180deg=-1.74!) USER MOD Single : A 32 ASN : amide:sc= -0.518 K(o=-0.52,f=-6.8!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.172 0.181 -8.084 1.00 2.00 N ATOM 2 CA ALA A 1 -3.397 -0.987 -7.214 1.00 1.43 C ATOM 3 C ALA A 1 -4.823 -0.992 -6.675 1.00 1.28 C ATOM 4 O ALA A 1 -5.234 -0.062 -5.980 1.00 1.42 O ATOM 5 CB ALA A 1 -2.399 -0.991 -6.067 1.00 1.34 C ATOM 0 H1 ALA A 1 -2.195 0.165 -8.440 1.00 2.00 H new ATOM 0 H2 ALA A 1 -3.834 0.149 -8.886 1.00 2.00 H new ATOM 0 H3 ALA A 1 -3.328 1.054 -7.541 1.00 2.00 H new ATOM 0 HA ALA A 1 -3.252 -1.889 -7.808 1.00 1.43 H new ATOM 0 HB1 ALA A 1 -2.577 -1.859 -5.433 1.00 1.34 H new ATOM 0 HB2 ALA A 1 -1.386 -1.035 -6.466 1.00 1.34 H new ATOM 0 HB3 ALA A 1 -2.518 -0.081 -5.478 1.00 1.34 H new ATOM 13 N SER A 2 -5.574 -2.030 -7.009 1.00 1.26 N ATOM 14 CA SER A 2 -6.929 -2.198 -6.506 1.00 1.20 C ATOM 15 C SER A 2 -6.886 -2.836 -5.118 1.00 1.05 C ATOM 16 O SER A 2 -6.680 -4.044 -4.983 1.00 1.51 O ATOM 17 CB SER A 2 -7.733 -3.063 -7.473 1.00 1.42 C ATOM 18 OG SER A 2 -7.577 -2.605 -8.806 1.00 1.94 O ATOM 0 H SER A 2 -5.264 -2.776 -7.632 1.00 1.26 H new ATOM 0 HA SER A 2 -7.414 -1.225 -6.426 1.00 1.20 H new ATOM 0 HB2 SER A 2 -7.405 -4.100 -7.399 1.00 1.42 H new ATOM 0 HB3 SER A 2 -8.787 -3.041 -7.197 1.00 1.42 H new ATOM 0 HG SER A 2 -8.099 -3.173 -9.410 1.00 1.94 H new ATOM 24 N CYS A 3 -7.079 -2.021 -4.097 1.00 0.70 N ATOM 25 CA CYS A 3 -6.856 -2.449 -2.726 1.00 0.56 C ATOM 26 C CYS A 3 -8.146 -2.597 -1.937 1.00 0.61 C ATOM 27 O CYS A 3 -9.190 -2.039 -2.281 1.00 0.78 O ATOM 28 CB CYS A 3 -5.940 -1.452 -2.035 1.00 0.61 C ATOM 29 SG CYS A 3 -5.937 -1.500 -0.222 1.00 1.11 S ATOM 0 H CYS A 3 -7.391 -1.054 -4.191 1.00 0.70 H new ATOM 0 HA CYS A 3 -6.394 -3.435 -2.761 1.00 0.56 H new ATOM 0 HB2 CYS A 3 -4.922 -1.621 -2.385 1.00 0.61 H new ATOM 0 HB3 CYS A 3 -6.223 -0.448 -2.352 1.00 0.61 H new ATOM 34 N ARG A 4 -8.036 -3.379 -0.880 1.00 0.59 N ATOM 35 CA ARG A 4 -9.097 -3.583 0.073 1.00 0.69 C ATOM 36 C ARG A 4 -8.615 -3.216 1.480 1.00 0.61 C ATOM 37 O ARG A 4 -9.408 -2.868 2.351 1.00 0.77 O ATOM 38 CB ARG A 4 -9.543 -5.042 0.043 1.00 0.84 C ATOM 39 CG ARG A 4 -10.655 -5.354 -0.951 1.00 1.19 C ATOM 40 CD ARG A 4 -10.165 -5.292 -2.394 1.00 1.97 C ATOM 41 NE ARG A 4 -9.107 -6.269 -2.658 1.00 2.75 N ATOM 42 CZ ARG A 4 -8.590 -6.518 -3.864 1.00 3.73 C ATOM 43 NH1 ARG A 4 -9.073 -5.908 -4.944 1.00 4.13 N ATOM 44 NH2 ARG A 4 -7.599 -7.393 -3.988 1.00 4.64 N ATOM 0 H ARG A 4 -7.186 -3.899 -0.660 1.00 0.59 H new ATOM 0 HA ARG A 4 -9.940 -2.944 -0.191 1.00 0.69 H new ATOM 0 HB2 ARG A 4 -8.680 -5.665 -0.192 1.00 0.84 H new ATOM 0 HB3 ARG A 4 -9.878 -5.325 1.041 1.00 0.84 H new ATOM 0 HG2 ARG A 4 -11.056 -6.347 -0.747 1.00 1.19 H new ATOM 0 HG3 ARG A 4 -11.472 -4.646 -0.815 1.00 1.19 H new ATOM 0 HD2 ARG A 4 -11.002 -5.473 -3.069 1.00 1.97 H new ATOM 0 HD3 ARG A 4 -9.794 -4.290 -2.608 1.00 1.97 H new ATOM 0 HE ARG A 4 -8.739 -6.796 -1.866 1.00 2.75 H new ATOM 0 HH11 ARG A 4 -9.843 -5.245 -4.854 1.00 4.13 H new ATOM 0 HH12 ARG A 4 -8.673 -6.103 -5.862 1.00 4.13 H new ATOM 0 HH21 ARG A 4 -7.236 -7.872 -3.164 1.00 4.64 H new ATOM 0 HH22 ARG A 4 -7.201 -7.586 -4.907 1.00 4.64 H new ATOM 58 N THR A 5 -7.302 -3.284 1.667 1.00 0.46 N ATOM 59 CA THR A 5 -6.653 -3.019 2.948 1.00 0.40 C ATOM 60 C THR A 5 -5.182 -2.659 2.721 1.00 0.34 C ATOM 61 O THR A 5 -4.614 -3.053 1.710 1.00 0.41 O ATOM 62 CB THR A 5 -6.718 -4.239 3.897 1.00 0.40 C ATOM 63 OG1 THR A 5 -6.515 -5.451 3.157 1.00 0.49 O ATOM 64 CG2 THR A 5 -8.035 -4.299 4.652 1.00 0.65 C ATOM 0 H THR A 5 -6.648 -3.528 0.923 1.00 0.46 H new ATOM 0 HA THR A 5 -7.188 -2.190 3.413 1.00 0.40 H new ATOM 0 HB THR A 5 -5.922 -4.127 4.633 1.00 0.40 H new ATOM 0 HG1 THR A 5 -6.556 -6.217 3.767 1.00 0.49 H new ATOM 0 HG21 THR A 5 -8.040 -5.170 5.307 1.00 0.65 H new ATOM 0 HG22 THR A 5 -8.153 -3.395 5.250 1.00 0.65 H new ATOM 0 HG23 THR A 5 -8.858 -4.375 3.942 1.00 0.65 H new ATOM 72 N PRO A 6 -4.529 -1.935 3.644 1.00 0.42 N ATOM 73 CA PRO A 6 -3.124 -1.562 3.489 1.00 0.54 C ATOM 74 C PRO A 6 -2.250 -2.793 3.273 1.00 0.54 C ATOM 75 O PRO A 6 -1.368 -2.807 2.407 1.00 0.67 O ATOM 76 CB PRO A 6 -2.790 -0.880 4.820 1.00 0.64 C ATOM 77 CG PRO A 6 -4.098 -0.431 5.353 1.00 0.74 C ATOM 78 CD PRO A 6 -5.079 -1.465 4.914 1.00 0.50 C ATOM 0 HA PRO A 6 -2.948 -0.922 2.625 1.00 0.54 H new ATOM 0 HB2 PRO A 6 -2.299 -1.570 5.506 1.00 0.64 H new ATOM 0 HB3 PRO A 6 -2.112 -0.039 4.675 1.00 0.64 H new ATOM 0 HG2 PRO A 6 -4.073 -0.349 6.440 1.00 0.74 H new ATOM 0 HG3 PRO A 6 -4.364 0.553 4.966 1.00 0.74 H new ATOM 0 HD2 PRO A 6 -5.162 -2.274 5.640 1.00 0.50 H new ATOM 0 HD3 PRO A 6 -6.077 -1.045 4.789 1.00 0.50 H new ATOM 86 N LYS A 7 -2.539 -3.835 4.049 1.00 0.50 N ATOM 87 CA LYS A 7 -1.889 -5.125 3.916 1.00 0.64 C ATOM 88 C LYS A 7 -2.079 -5.700 2.511 1.00 0.56 C ATOM 89 O LYS A 7 -1.242 -6.463 2.030 1.00 0.65 O ATOM 90 CB LYS A 7 -2.454 -6.091 4.965 1.00 0.84 C ATOM 91 CG LYS A 7 -1.996 -7.529 4.795 1.00 1.56 C ATOM 92 CD LYS A 7 -0.491 -7.672 4.956 1.00 1.95 C ATOM 93 CE LYS A 7 -0.026 -9.060 4.559 1.00 2.39 C ATOM 94 NZ LYS A 7 -0.676 -10.121 5.371 1.00 3.13 N ATOM 0 H LYS A 7 -3.237 -3.802 4.792 1.00 0.50 H new ATOM 0 HA LYS A 7 -0.819 -4.993 4.078 1.00 0.64 H new ATOM 0 HB2 LYS A 7 -2.164 -5.744 5.957 1.00 0.84 H new ATOM 0 HB3 LYS A 7 -3.543 -6.060 4.922 1.00 0.84 H new ATOM 0 HG2 LYS A 7 -2.500 -8.159 5.528 1.00 1.56 H new ATOM 0 HG3 LYS A 7 -2.291 -7.889 3.809 1.00 1.56 H new ATOM 0 HD2 LYS A 7 0.015 -6.927 4.343 1.00 1.95 H new ATOM 0 HD3 LYS A 7 -0.213 -7.475 5.991 1.00 1.95 H new ATOM 0 HE2 LYS A 7 -0.244 -9.227 3.504 1.00 2.39 H new ATOM 0 HE3 LYS A 7 1.056 -9.127 4.675 1.00 2.39 H new ATOM 0 HZ1 LYS A 7 -0.222 -11.036 5.175 1.00 3.13 H new ATOM 0 HZ2 LYS A 7 -0.577 -9.895 6.381 1.00 3.13 H new ATOM 0 HZ3 LYS A 7 -1.685 -10.176 5.126 1.00 3.13 H new ATOM 108 N ASP A 8 -3.154 -5.307 1.831 1.00 0.46 N ATOM 109 CA ASP A 8 -3.453 -5.868 0.519 1.00 0.49 C ATOM 110 C ASP A 8 -2.477 -5.323 -0.513 1.00 0.46 C ATOM 111 O ASP A 8 -2.309 -5.897 -1.589 1.00 0.56 O ATOM 112 CB ASP A 8 -4.899 -5.560 0.112 1.00 0.55 C ATOM 113 CG ASP A 8 -5.368 -6.385 -1.063 1.00 0.71 C ATOM 114 OD1 ASP A 8 -5.712 -7.569 -0.872 1.00 1.12 O ATOM 115 OD2 ASP A 8 -5.363 -5.856 -2.199 1.00 1.29 O ATOM 0 H ASP A 8 -3.823 -4.612 2.162 1.00 0.46 H new ATOM 0 HA ASP A 8 -3.342 -6.951 0.569 1.00 0.49 H new ATOM 0 HB2 ASP A 8 -5.557 -5.741 0.962 1.00 0.55 H new ATOM 0 HB3 ASP A 8 -4.984 -4.502 -0.137 1.00 0.55 H new ATOM 120 N CYS A 9 -1.814 -4.226 -0.172 1.00 0.45 N ATOM 121 CA CYS A 9 -0.834 -3.621 -1.043 1.00 0.47 C ATOM 122 C CYS A 9 0.566 -3.855 -0.522 1.00 0.40 C ATOM 123 O CYS A 9 1.509 -3.241 -1.003 1.00 0.41 O ATOM 124 CB CYS A 9 -1.065 -2.119 -1.143 1.00 0.59 C ATOM 125 SG CYS A 9 -2.712 -1.637 -1.732 1.00 1.03 S ATOM 0 H CYS A 9 -1.945 -3.738 0.714 1.00 0.45 H new ATOM 0 HA CYS A 9 -0.940 -4.081 -2.026 1.00 0.47 H new ATOM 0 HB2 CYS A 9 -0.902 -1.675 -0.161 1.00 0.59 H new ATOM 0 HB3 CYS A 9 -0.317 -1.695 -1.813 1.00 0.59 H new ATOM 130 N ALA A 10 0.716 -4.737 0.444 1.00 0.43 N ATOM 131 CA ALA A 10 2.016 -4.940 1.060 1.00 0.46 C ATOM 132 C ALA A 10 3.020 -5.491 0.061 1.00 0.40 C ATOM 133 O ALA A 10 4.197 -5.146 0.102 1.00 0.43 O ATOM 134 CB ALA A 10 1.909 -5.849 2.276 1.00 0.59 C ATOM 0 H ALA A 10 -0.034 -5.319 0.818 1.00 0.43 H new ATOM 0 HA ALA A 10 2.377 -3.968 1.395 1.00 0.46 H new ATOM 0 HB1 ALA A 10 2.896 -5.984 2.717 1.00 0.59 H new ATOM 0 HB2 ALA A 10 1.242 -5.397 3.010 1.00 0.59 H new ATOM 0 HB3 ALA A 10 1.512 -6.818 1.972 1.00 0.59 H new ATOM 140 N ASP A 11 2.551 -6.325 -0.845 1.00 0.42 N ATOM 141 CA ASP A 11 3.424 -6.865 -1.875 1.00 0.47 C ATOM 142 C ASP A 11 3.692 -5.809 -2.949 1.00 0.41 C ATOM 143 O ASP A 11 4.849 -5.498 -3.224 1.00 0.42 O ATOM 144 CB ASP A 11 2.845 -8.139 -2.496 1.00 0.64 C ATOM 145 CG ASP A 11 3.819 -8.796 -3.455 1.00 0.79 C ATOM 146 OD1 ASP A 11 4.780 -9.440 -2.984 1.00 0.96 O ATOM 147 OD2 ASP A 11 3.637 -8.663 -4.682 1.00 0.89 O ATOM 0 H ASP A 11 1.583 -6.642 -0.892 1.00 0.42 H new ATOM 0 HA ASP A 11 4.370 -7.135 -1.405 1.00 0.47 H new ATOM 0 HB2 ASP A 11 2.585 -8.842 -1.705 1.00 0.64 H new ATOM 0 HB3 ASP A 11 1.923 -7.898 -3.024 1.00 0.64 H new ATOM 152 N PRO A 12 2.637 -5.242 -3.579 1.00 0.43 N ATOM 153 CA PRO A 12 2.788 -4.135 -4.522 1.00 0.49 C ATOM 154 C PRO A 12 3.601 -2.963 -3.972 1.00 0.41 C ATOM 155 O PRO A 12 4.407 -2.398 -4.698 1.00 0.47 O ATOM 156 CB PRO A 12 1.355 -3.697 -4.842 1.00 0.62 C ATOM 157 CG PRO A 12 0.467 -4.463 -3.921 1.00 0.65 C ATOM 158 CD PRO A 12 1.235 -5.679 -3.496 1.00 0.53 C ATOM 0 HA PRO A 12 3.347 -4.461 -5.399 1.00 0.49 H new ATOM 0 HB2 PRO A 12 1.235 -2.624 -4.695 1.00 0.62 H new ATOM 0 HB3 PRO A 12 1.108 -3.906 -5.883 1.00 0.62 H new ATOM 0 HG2 PRO A 12 0.191 -3.858 -3.057 1.00 0.65 H new ATOM 0 HG3 PRO A 12 -0.459 -4.745 -4.422 1.00 0.65 H new ATOM 0 HD2 PRO A 12 0.970 -5.989 -2.485 1.00 0.53 H new ATOM 0 HD3 PRO A 12 1.039 -6.528 -4.151 1.00 0.53 H new ATOM 166 N CYS A 13 3.410 -2.594 -2.708 1.00 0.36 N ATOM 167 CA CYS A 13 4.175 -1.505 -2.127 1.00 0.37 C ATOM 168 C CYS A 13 5.617 -1.924 -1.881 1.00 0.31 C ATOM 169 O CYS A 13 6.529 -1.103 -1.935 1.00 0.39 O ATOM 170 CB CYS A 13 3.524 -1.030 -0.835 1.00 0.44 C ATOM 171 SG CYS A 13 2.103 0.075 -1.090 1.00 1.49 S ATOM 0 H CYS A 13 2.739 -3.030 -2.076 1.00 0.36 H new ATOM 0 HA CYS A 13 4.183 -0.677 -2.835 1.00 0.37 H new ATOM 0 HB2 CYS A 13 3.198 -1.899 -0.263 1.00 0.44 H new ATOM 0 HB3 CYS A 13 4.270 -0.513 -0.232 1.00 0.44 H new ATOM 176 N ARG A 14 5.826 -3.208 -1.636 1.00 0.25 N ATOM 177 CA ARG A 14 7.173 -3.743 -1.513 1.00 0.29 C ATOM 178 C ARG A 14 7.835 -3.813 -2.888 1.00 0.35 C ATOM 179 O ARG A 14 9.057 -3.872 -3.003 1.00 0.44 O ATOM 180 CB ARG A 14 7.140 -5.126 -0.851 1.00 0.36 C ATOM 181 CG ARG A 14 8.501 -5.792 -0.710 1.00 0.53 C ATOM 182 CD ARG A 14 8.395 -7.123 0.013 1.00 0.98 C ATOM 183 NE ARG A 14 7.473 -8.046 -0.645 1.00 1.37 N ATOM 184 CZ ARG A 14 7.103 -9.222 -0.139 1.00 2.12 C ATOM 185 NH1 ARG A 14 7.605 -9.638 1.013 1.00 2.66 N ATOM 186 NH2 ARG A 14 6.233 -9.988 -0.781 1.00 2.88 N ATOM 0 H ARG A 14 5.083 -3.897 -1.519 1.00 0.25 H new ATOM 0 HA ARG A 14 7.762 -3.079 -0.880 1.00 0.29 H new ATOM 0 HB2 ARG A 14 6.692 -5.030 0.138 1.00 0.36 H new ATOM 0 HB3 ARG A 14 6.489 -5.778 -1.434 1.00 0.36 H new ATOM 0 HG2 ARG A 14 8.936 -5.946 -1.697 1.00 0.53 H new ATOM 0 HG3 ARG A 14 9.176 -5.132 -0.164 1.00 0.53 H new ATOM 0 HD2 ARG A 14 9.382 -7.581 0.071 1.00 0.98 H new ATOM 0 HD3 ARG A 14 8.063 -6.951 1.037 1.00 0.98 H new ATOM 0 HE ARG A 14 7.088 -7.773 -1.549 1.00 1.37 H new ATOM 0 HH11 ARG A 14 8.277 -9.058 1.516 1.00 2.66 H new ATOM 0 HH12 ARG A 14 7.320 -10.539 1.398 1.00 2.66 H new ATOM 0 HH21 ARG A 14 5.841 -9.679 -1.670 1.00 2.88 H new ATOM 0 HH22 ARG A 14 5.956 -10.887 -0.386 1.00 2.88 H new ATOM 200 N LYS A 15 7.020 -3.792 -3.927 1.00 0.38 N ATOM 201 CA LYS A 15 7.517 -3.754 -5.283 1.00 0.49 C ATOM 202 C LYS A 15 7.708 -2.305 -5.729 1.00 0.55 C ATOM 203 O LYS A 15 8.646 -1.980 -6.453 1.00 0.65 O ATOM 204 CB LYS A 15 6.526 -4.460 -6.207 1.00 0.59 C ATOM 205 CG LYS A 15 7.087 -4.747 -7.582 1.00 1.29 C ATOM 206 CD LYS A 15 8.201 -5.777 -7.504 1.00 1.63 C ATOM 207 CE LYS A 15 9.193 -5.597 -8.635 1.00 2.43 C ATOM 208 NZ LYS A 15 9.858 -4.269 -8.570 1.00 3.13 N ATOM 0 H LYS A 15 6.003 -3.801 -3.852 1.00 0.38 H new ATOM 0 HA LYS A 15 8.479 -4.264 -5.330 1.00 0.49 H new ATOM 0 HB2 LYS A 15 6.216 -5.398 -5.746 1.00 0.59 H new ATOM 0 HB3 LYS A 15 5.633 -3.844 -6.308 1.00 0.59 H new ATOM 0 HG2 LYS A 15 6.294 -5.111 -8.235 1.00 1.29 H new ATOM 0 HG3 LYS A 15 7.467 -3.826 -8.025 1.00 1.29 H new ATOM 0 HD2 LYS A 15 8.716 -5.688 -6.547 1.00 1.63 H new ATOM 0 HD3 LYS A 15 7.776 -6.780 -7.545 1.00 1.63 H new ATOM 0 HE2 LYS A 15 9.945 -6.384 -8.589 1.00 2.43 H new ATOM 0 HE3 LYS A 15 8.680 -5.702 -9.591 1.00 2.43 H new ATOM 0 HZ1 LYS A 15 10.890 -4.396 -8.591 1.00 3.13 H new ATOM 0 HZ2 LYS A 15 9.564 -3.693 -9.384 1.00 3.13 H new ATOM 0 HZ3 LYS A 15 9.586 -3.787 -7.689 1.00 3.13 H new ATOM 222 N GLU A 16 6.804 -1.451 -5.277 1.00 0.55 N ATOM 223 CA GLU A 16 6.795 -0.053 -5.624 1.00 0.69 C ATOM 224 C GLU A 16 7.855 0.718 -4.866 1.00 0.69 C ATOM 225 O GLU A 16 8.737 1.338 -5.461 1.00 0.82 O ATOM 226 CB GLU A 16 5.416 0.498 -5.294 1.00 0.78 C ATOM 227 CG GLU A 16 4.512 0.676 -6.503 1.00 1.06 C ATOM 228 CD GLU A 16 5.101 1.614 -7.532 1.00 1.90 C ATOM 229 OE1 GLU A 16 5.838 1.139 -8.418 1.00 2.59 O ATOM 230 OE2 GLU A 16 4.832 2.833 -7.456 1.00 2.52 O ATOM 0 H GLU A 16 6.047 -1.721 -4.649 1.00 0.55 H new ATOM 0 HA GLU A 16 7.017 0.057 -6.686 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.929 -0.172 -4.585 1.00 0.78 H new ATOM 0 HB3 GLU A 16 5.531 1.460 -4.795 1.00 0.78 H new ATOM 0 HG2 GLU A 16 4.330 -0.295 -6.963 1.00 1.06 H new ATOM 0 HG3 GLU A 16 3.545 1.060 -6.177 1.00 1.06 H new ATOM 237 N THR A 17 7.772 0.663 -3.549 1.00 0.61 N ATOM 238 CA THR A 17 8.624 1.462 -2.693 1.00 0.70 C ATOM 239 C THR A 17 9.699 0.575 -2.090 1.00 0.60 C ATOM 240 O THR A 17 10.792 1.022 -1.743 1.00 0.74 O ATOM 241 CB THR A 17 7.799 2.122 -1.568 1.00 0.83 C ATOM 242 OG1 THR A 17 6.639 2.754 -2.127 1.00 1.42 O ATOM 243 CG2 THR A 17 8.622 3.152 -0.807 1.00 1.43 C ATOM 0 H THR A 17 7.115 0.066 -3.047 1.00 0.61 H new ATOM 0 HA THR A 17 9.086 2.250 -3.288 1.00 0.70 H new ATOM 0 HB THR A 17 7.498 1.342 -0.868 1.00 0.83 H new ATOM 0 HG1 THR A 17 6.116 3.171 -1.410 1.00 1.42 H new ATOM 0 HG21 THR A 17 8.011 3.598 -0.022 1.00 1.43 H new ATOM 0 HG22 THR A 17 9.490 2.666 -0.360 1.00 1.43 H new ATOM 0 HG23 THR A 17 8.955 3.930 -1.493 1.00 1.43 H new ATOM 251 N GLY A 18 9.370 -0.695 -1.987 1.00 0.47 N ATOM 252 CA GLY A 18 10.295 -1.659 -1.450 1.00 0.48 C ATOM 253 C GLY A 18 9.908 -2.101 -0.059 1.00 0.49 C ATOM 254 O GLY A 18 10.403 -3.107 0.440 1.00 0.69 O ATOM 0 H GLY A 18 8.468 -1.080 -2.269 1.00 0.47 H new ATOM 0 HA2 GLY A 18 10.336 -2.527 -2.108 1.00 0.48 H new ATOM 0 HA3 GLY A 18 11.296 -1.228 -1.428 1.00 0.48 H new ATOM 258 N CYS A 19 9.014 -1.352 0.553 1.00 0.44 N ATOM 259 CA CYS A 19 8.565 -1.639 1.897 1.00 0.51 C ATOM 260 C CYS A 19 7.121 -2.129 1.881 1.00 0.38 C ATOM 261 O CYS A 19 6.269 -1.532 1.225 1.00 0.33 O ATOM 262 CB CYS A 19 8.685 -0.376 2.739 1.00 0.69 C ATOM 263 SG CYS A 19 10.348 0.325 2.773 1.00 1.17 S ATOM 0 H CYS A 19 8.580 -0.530 0.133 1.00 0.44 H new ATOM 0 HA CYS A 19 9.185 -2.425 2.328 1.00 0.51 H new ATOM 0 HB2 CYS A 19 7.993 0.373 2.353 1.00 0.69 H new ATOM 0 HB3 CYS A 19 8.375 -0.601 3.760 1.00 0.69 H new ATOM 0 HG CYS A 19 10.353 1.396 3.510 1.00 1.17 H new ATOM 269 N PRO A 20 6.828 -3.222 2.603 1.00 0.39 N ATOM 270 CA PRO A 20 5.478 -3.789 2.664 1.00 0.35 C ATOM 271 C PRO A 20 4.559 -3.014 3.608 1.00 0.29 C ATOM 272 O PRO A 20 3.894 -3.601 4.469 1.00 0.37 O ATOM 273 CB PRO A 20 5.733 -5.202 3.195 1.00 0.48 C ATOM 274 CG PRO A 20 6.951 -5.067 4.042 1.00 0.55 C ATOM 275 CD PRO A 20 7.794 -3.994 3.406 1.00 0.53 C ATOM 0 HA PRO A 20 4.970 -3.759 1.700 1.00 0.35 H new ATOM 0 HB2 PRO A 20 4.885 -5.568 3.774 1.00 0.48 H new ATOM 0 HB3 PRO A 20 5.892 -5.909 2.381 1.00 0.48 H new ATOM 0 HG2 PRO A 20 6.685 -4.797 5.064 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.496 -6.010 4.092 1.00 0.55 H new ATOM 0 HD2 PRO A 20 8.281 -3.370 4.156 1.00 0.53 H new ATOM 0 HD3 PRO A 20 8.582 -4.419 2.785 1.00 0.53 H new ATOM 283 N TYR A 21 4.533 -1.699 3.455 1.00 0.26 N ATOM 284 CA TYR A 21 3.719 -0.842 4.284 1.00 0.27 C ATOM 285 C TYR A 21 2.943 0.139 3.428 1.00 0.37 C ATOM 286 O TYR A 21 3.085 0.165 2.207 1.00 0.60 O ATOM 287 CB TYR A 21 4.597 -0.092 5.272 1.00 0.44 C ATOM 288 CG TYR A 21 5.289 -0.979 6.278 1.00 0.49 C ATOM 289 CD1 TYR A 21 4.575 -1.565 7.318 1.00 0.96 C ATOM 290 CD2 TYR A 21 6.654 -1.234 6.189 1.00 0.60 C ATOM 291 CE1 TYR A 21 5.202 -2.383 8.238 1.00 1.32 C ATOM 292 CE2 TYR A 21 7.287 -2.051 7.106 1.00 0.78 C ATOM 293 CZ TYR A 21 6.556 -2.623 8.128 1.00 1.14 C ATOM 294 OH TYR A 21 7.180 -3.442 9.042 1.00 1.51 O ATOM 0 H TYR A 21 5.078 -1.202 2.751 1.00 0.26 H new ATOM 0 HA TYR A 21 3.009 -1.459 4.835 1.00 0.27 H new ATOM 0 HB2 TYR A 21 5.351 0.469 4.719 1.00 0.44 H new ATOM 0 HB3 TYR A 21 3.986 0.636 5.805 1.00 0.44 H new ATOM 0 HD1 TYR A 21 3.515 -1.378 7.408 1.00 0.96 H new ATOM 0 HD2 TYR A 21 7.228 -0.786 5.391 1.00 0.60 H new ATOM 0 HE1 TYR A 21 4.635 -2.832 9.040 1.00 1.32 H new ATOM 0 HE2 TYR A 21 8.347 -2.241 7.024 1.00 0.78 H new ATOM 0 HH TYR A 21 8.133 -3.509 8.824 1.00 1.51 H new ATOM 304 N GLY A 22 2.150 0.964 4.087 1.00 0.39 N ATOM 305 CA GLY A 22 1.311 1.912 3.397 1.00 0.50 C ATOM 306 C GLY A 22 -0.063 2.001 4.004 1.00 0.45 C ATOM 307 O GLY A 22 -0.312 1.442 5.076 1.00 0.57 O ATOM 0 H GLY A 22 2.073 0.992 5.104 1.00 0.39 H new ATOM 0 HA2 GLY A 22 1.781 2.895 3.420 1.00 0.50 H new ATOM 0 HA3 GLY A 22 1.226 1.624 2.349 1.00 0.50 H new ATOM 311 N LYS A 23 -0.963 2.691 3.321 1.00 0.42 N ATOM 312 CA LYS A 23 -2.323 2.863 3.797 1.00 0.42 C ATOM 313 C LYS A 23 -3.277 2.907 2.612 1.00 0.40 C ATOM 314 O LYS A 23 -2.973 3.496 1.579 1.00 0.54 O ATOM 315 CB LYS A 23 -2.451 4.149 4.599 1.00 0.52 C ATOM 316 CG LYS A 23 -3.357 4.032 5.819 1.00 0.71 C ATOM 317 CD LYS A 23 -2.793 3.060 6.845 1.00 1.57 C ATOM 318 CE LYS A 23 -1.437 3.521 7.362 1.00 2.04 C ATOM 319 NZ LYS A 23 -0.851 2.560 8.335 1.00 2.59 N ATOM 0 H LYS A 23 -0.772 3.144 2.427 1.00 0.42 H new ATOM 0 HA LYS A 23 -2.575 2.021 4.442 1.00 0.42 H new ATOM 0 HB2 LYS A 23 -1.459 4.462 4.925 1.00 0.52 H new ATOM 0 HB3 LYS A 23 -2.835 4.934 3.948 1.00 0.52 H new ATOM 0 HG2 LYS A 23 -3.481 5.014 6.277 1.00 0.71 H new ATOM 0 HG3 LYS A 23 -4.347 3.699 5.507 1.00 0.71 H new ATOM 0 HD2 LYS A 23 -3.489 2.965 7.679 1.00 1.57 H new ATOM 0 HD3 LYS A 23 -2.696 2.071 6.397 1.00 1.57 H new ATOM 0 HE2 LYS A 23 -0.754 3.648 6.522 1.00 2.04 H new ATOM 0 HE3 LYS A 23 -1.543 4.497 7.836 1.00 2.04 H new ATOM 0 HZ1 LYS A 23 0.071 2.914 8.660 1.00 2.59 H new ATOM 0 HZ2 LYS A 23 -1.490 2.458 9.149 1.00 2.59 H new ATOM 0 HZ3 LYS A 23 -0.724 1.635 7.876 1.00 2.59 H new ATOM 333 N CYS A 24 -4.438 2.319 2.777 1.00 0.38 N ATOM 334 CA CYS A 24 -5.360 2.133 1.670 1.00 0.35 C ATOM 335 C CYS A 24 -6.436 3.217 1.679 1.00 0.36 C ATOM 336 O CYS A 24 -6.782 3.742 2.738 1.00 0.53 O ATOM 337 CB CYS A 24 -5.993 0.744 1.790 1.00 0.51 C ATOM 338 SG CYS A 24 -6.914 0.185 0.321 1.00 0.57 S ATOM 0 H CYS A 24 -4.772 1.958 3.670 1.00 0.38 H new ATOM 0 HA CYS A 24 -4.821 2.210 0.726 1.00 0.35 H new ATOM 0 HB2 CYS A 24 -5.206 0.020 2.003 1.00 0.51 H new ATOM 0 HB3 CYS A 24 -6.668 0.742 2.646 1.00 0.51 H new ATOM 343 N MET A 25 -6.946 3.573 0.503 1.00 0.36 N ATOM 344 CA MET A 25 -8.059 4.500 0.412 1.00 0.50 C ATOM 345 C MET A 25 -9.310 3.700 0.101 1.00 0.69 C ATOM 346 O MET A 25 -9.210 2.503 -0.158 1.00 0.93 O ATOM 347 CB MET A 25 -7.781 5.559 -0.645 1.00 0.68 C ATOM 348 CG MET A 25 -8.682 6.783 -0.569 1.00 1.00 C ATOM 349 SD MET A 25 -8.208 8.062 -1.746 1.00 2.05 S ATOM 350 CE MET A 25 -9.433 9.324 -1.395 1.00 2.34 C ATOM 0 H MET A 25 -6.604 3.232 -0.395 1.00 0.36 H new ATOM 0 HA MET A 25 -8.200 5.029 1.354 1.00 0.50 H new ATOM 0 HB2 MET A 25 -6.744 5.882 -0.553 1.00 0.68 H new ATOM 0 HB3 MET A 25 -7.888 5.106 -1.631 1.00 0.68 H new ATOM 0 HG2 MET A 25 -9.713 6.484 -0.758 1.00 1.00 H new ATOM 0 HG3 MET A 25 -8.649 7.192 0.441 1.00 1.00 H new ATOM 0 HE1 MET A 25 -9.269 10.182 -2.047 1.00 2.34 H new ATOM 0 HE2 MET A 25 -10.431 8.921 -1.570 1.00 2.34 H new ATOM 0 HE3 MET A 25 -9.345 9.637 -0.355 1.00 2.34 H new ATOM 360 N ASN A 26 -10.474 4.340 0.148 1.00 0.73 N ATOM 361 CA ASN A 26 -11.753 3.657 -0.088 1.00 0.98 C ATOM 362 C ASN A 26 -11.655 2.678 -1.254 1.00 0.94 C ATOM 363 O ASN A 26 -11.894 1.481 -1.088 1.00 1.33 O ATOM 364 CB ASN A 26 -12.869 4.669 -0.335 1.00 1.24 C ATOM 365 CG ASN A 26 -14.216 4.009 -0.579 1.00 1.98 C ATOM 366 OD1 ASN A 26 -14.581 3.716 -1.715 1.00 2.63 O ATOM 367 ND2 ASN A 26 -14.969 3.778 0.480 1.00 2.59 N ATOM 0 H ASN A 26 -10.564 5.336 0.348 1.00 0.73 H new ATOM 0 HA ASN A 26 -11.992 3.087 0.810 1.00 0.98 H new ATOM 0 HB2 ASN A 26 -12.946 5.336 0.524 1.00 1.24 H new ATOM 0 HB3 ASN A 26 -12.610 5.286 -1.195 1.00 1.24 H new ATOM 0 HD21 ASN A 26 -15.885 3.343 0.369 1.00 2.59 H new ATOM 0 HD22 ASN A 26 -14.635 4.034 1.409 1.00 2.59 H new ATOM 374 N ARG A 27 -11.285 3.177 -2.423 1.00 0.67 N ATOM 375 CA ARG A 27 -11.047 2.318 -3.575 1.00 0.69 C ATOM 376 C ARG A 27 -9.668 2.580 -4.173 1.00 0.73 C ATOM 377 O ARG A 27 -9.434 2.330 -5.352 1.00 0.99 O ATOM 378 CB ARG A 27 -12.123 2.515 -4.642 1.00 0.81 C ATOM 379 CG ARG A 27 -13.506 1.992 -4.267 1.00 1.34 C ATOM 380 CD ARG A 27 -13.558 0.469 -4.201 1.00 1.23 C ATOM 381 NE ARG A 27 -12.937 -0.062 -2.987 1.00 1.00 N ATOM 382 CZ ARG A 27 -13.212 -1.254 -2.470 1.00 1.31 C ATOM 383 NH1 ARG A 27 -14.103 -2.046 -3.052 1.00 2.08 N ATOM 384 NH2 ARG A 27 -12.601 -1.652 -1.358 1.00 1.65 N ATOM 0 H ARG A 27 -11.143 4.171 -2.600 1.00 0.67 H new ATOM 0 HA ARG A 27 -11.089 1.286 -3.228 1.00 0.69 H new ATOM 0 HB2 ARG A 27 -12.202 3.579 -4.865 1.00 0.81 H new ATOM 0 HB3 ARG A 27 -11.800 2.020 -5.558 1.00 0.81 H new ATOM 0 HG2 ARG A 27 -13.797 2.404 -3.301 1.00 1.34 H new ATOM 0 HG3 ARG A 27 -14.234 2.346 -4.997 1.00 1.34 H new ATOM 0 HD2 ARG A 27 -14.597 0.142 -4.246 1.00 1.23 H new ATOM 0 HD3 ARG A 27 -13.055 0.054 -5.074 1.00 1.23 H new ATOM 0 HE ARG A 27 -12.250 0.520 -2.508 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -14.580 -1.740 -3.900 1.00 2.08 H new ATOM 0 HH12 ARG A 27 -14.311 -2.961 -2.651 1.00 2.08 H new ATOM 0 HH21 ARG A 27 -11.922 -1.042 -0.903 1.00 1.65 H new ATOM 0 HH22 ARG A 27 -12.811 -2.567 -0.960 1.00 1.65 H new ATOM 398 N LYS A 28 -8.752 3.082 -3.350 1.00 0.61 N ATOM 399 CA LYS A 28 -7.395 3.359 -3.787 1.00 0.68 C ATOM 400 C LYS A 28 -6.427 2.802 -2.774 1.00 0.63 C ATOM 401 O LYS A 28 -6.831 2.215 -1.784 1.00 1.05 O ATOM 402 CB LYS A 28 -7.148 4.860 -3.965 1.00 0.84 C ATOM 403 CG LYS A 28 -7.694 5.448 -5.258 1.00 1.18 C ATOM 404 CD LYS A 28 -9.171 5.786 -5.153 1.00 1.79 C ATOM 405 CE LYS A 28 -9.700 6.327 -6.469 1.00 1.94 C ATOM 406 NZ LYS A 28 -11.100 6.809 -6.358 1.00 1.65 N ATOM 0 H LYS A 28 -8.931 3.305 -2.371 1.00 0.61 H new ATOM 0 HA LYS A 28 -7.247 2.884 -4.757 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -7.596 5.390 -3.124 1.00 0.84 H new ATOM 0 HB3 LYS A 28 -6.075 5.045 -3.923 1.00 0.84 H new ATOM 0 HG2 LYS A 28 -7.134 6.348 -5.511 1.00 1.18 H new ATOM 0 HG3 LYS A 28 -7.542 4.738 -6.071 1.00 1.18 H new ATOM 0 HD2 LYS A 28 -9.732 4.896 -4.870 1.00 1.79 H new ATOM 0 HD3 LYS A 28 -9.324 6.523 -4.365 1.00 1.79 H new ATOM 0 HE2 LYS A 28 -9.062 7.144 -6.806 1.00 1.94 H new ATOM 0 HE3 LYS A 28 -9.646 5.547 -7.228 1.00 1.94 H new ATOM 0 HZ1 LYS A 28 -11.417 7.169 -7.281 1.00 1.65 H new ATOM 0 HZ2 LYS A 28 -11.715 6.024 -6.062 1.00 1.65 H new ATOM 0 HZ3 LYS A 28 -11.150 7.572 -5.653 1.00 1.65 H new ATOM 420 N CYS A 29 -5.160 2.986 -3.027 1.00 0.58 N ATOM 421 CA CYS A 29 -4.134 2.551 -2.108 1.00 0.56 C ATOM 422 C CYS A 29 -2.916 3.438 -2.208 1.00 0.50 C ATOM 423 O CYS A 29 -2.574 3.931 -3.287 1.00 0.56 O ATOM 424 CB CYS A 29 -3.744 1.121 -2.417 1.00 0.83 C ATOM 425 SG CYS A 29 -2.922 0.253 -1.043 1.00 1.23 S ATOM 0 H CYS A 29 -4.807 3.439 -3.870 1.00 0.58 H new ATOM 0 HA CYS A 29 -4.530 2.614 -1.094 1.00 0.56 H new ATOM 0 HB2 CYS A 29 -4.639 0.566 -2.698 1.00 0.83 H new ATOM 0 HB3 CYS A 29 -3.081 1.117 -3.282 1.00 0.83 H new ATOM 430 N LYS A 30 -2.282 3.655 -1.081 1.00 0.51 N ATOM 431 CA LYS A 30 -1.039 4.401 -1.038 1.00 0.56 C ATOM 432 C LYS A 30 -0.025 3.662 -0.189 1.00 0.62 C ATOM 433 O LYS A 30 -0.382 2.982 0.759 1.00 0.90 O ATOM 434 CB LYS A 30 -1.265 5.794 -0.465 1.00 0.66 C ATOM 435 CG LYS A 30 -0.146 6.779 -0.786 1.00 0.79 C ATOM 436 CD LYS A 30 -0.368 8.143 -0.136 1.00 1.31 C ATOM 437 CE LYS A 30 -1.653 8.812 -0.605 1.00 1.99 C ATOM 438 NZ LYS A 30 -2.832 8.413 0.204 1.00 2.72 N ATOM 0 H LYS A 30 -2.606 3.324 -0.172 1.00 0.51 H new ATOM 0 HA LYS A 30 -0.662 4.499 -2.056 1.00 0.56 H new ATOM 0 HB2 LYS A 30 -2.205 6.188 -0.851 1.00 0.66 H new ATOM 0 HB3 LYS A 30 -1.371 5.719 0.617 1.00 0.66 H new ATOM 0 HG2 LYS A 30 0.805 6.368 -0.447 1.00 0.79 H new ATOM 0 HG3 LYS A 30 -0.072 6.902 -1.867 1.00 0.79 H new ATOM 0 HD2 LYS A 30 -0.399 8.025 0.947 1.00 1.31 H new ATOM 0 HD3 LYS A 30 0.478 8.791 -0.362 1.00 1.31 H new ATOM 0 HE2 LYS A 30 -1.533 9.894 -0.557 1.00 1.99 H new ATOM 0 HE3 LYS A 30 -1.831 8.557 -1.650 1.00 1.99 H new ATOM 0 HZ1 LYS A 30 -3.552 7.991 -0.416 1.00 2.72 H new ATOM 0 HZ2 LYS A 30 -2.542 7.718 0.921 1.00 2.72 H new ATOM 0 HZ3 LYS A 30 -3.229 9.251 0.675 1.00 2.72 H new ATOM 452 N CYS A 31 1.224 3.786 -0.546 1.00 0.48 N ATOM 453 CA CYS A 31 2.291 3.174 0.185 1.00 0.49 C ATOM 454 C CYS A 31 2.817 4.130 1.237 1.00 0.56 C ATOM 455 O CYS A 31 2.379 5.280 1.322 1.00 0.69 O ATOM 456 CB CYS A 31 3.403 2.809 -0.770 1.00 0.62 C ATOM 457 SG CYS A 31 2.902 1.654 -2.091 1.00 1.39 S ATOM 0 H CYS A 31 1.529 4.320 -1.360 1.00 0.48 H new ATOM 0 HA CYS A 31 1.920 2.276 0.679 1.00 0.49 H new ATOM 0 HB2 CYS A 31 3.789 3.720 -1.226 1.00 0.62 H new ATOM 0 HB3 CYS A 31 4.222 2.364 -0.204 1.00 0.62 H new ATOM 462 N ASN A 32 3.762 3.649 2.028 1.00 0.64 N ATOM 463 CA ASN A 32 4.382 4.438 3.068 1.00 0.87 C ATOM 464 C ASN A 32 5.391 5.430 2.503 1.00 1.12 C ATOM 465 O ASN A 32 6.524 5.536 2.968 1.00 1.42 O ATOM 466 CB ASN A 32 5.052 3.517 4.090 1.00 1.14 C ATOM 467 CG ASN A 32 6.148 2.640 3.497 1.00 1.58 C ATOM 468 OD1 ASN A 32 6.033 2.138 2.379 1.00 2.12 O ATOM 469 ND2 ASN A 32 7.233 2.468 4.241 1.00 1.83 N ATOM 0 H ASN A 32 4.119 2.696 1.963 1.00 0.64 H new ATOM 0 HA ASN A 32 3.600 5.017 3.560 1.00 0.87 H new ATOM 0 HB2 ASN A 32 5.477 4.124 4.889 1.00 1.14 H new ATOM 0 HB3 ASN A 32 4.293 2.879 4.543 1.00 1.14 H new ATOM 0 HD21 ASN A 32 8.007 1.904 3.891 1.00 1.83 H new ATOM 0 HD22 ASN A 32 7.293 2.900 5.163 1.00 1.83 H new ATOM 476 N ARG A 33 4.946 6.167 1.511 1.00 1.17 N ATOM 477 CA ARG A 33 5.749 7.212 0.910 1.00 1.57 C ATOM 478 C ARG A 33 5.526 8.519 1.665 1.00 1.90 C ATOM 479 O ARG A 33 4.448 9.112 1.574 1.00 2.03 O ATOM 480 CB ARG A 33 5.379 7.409 -0.554 1.00 1.75 C ATOM 481 CG ARG A 33 6.318 8.355 -1.288 1.00 2.23 C ATOM 482 CD ARG A 33 5.581 9.184 -2.326 1.00 2.59 C ATOM 483 NE ARG A 33 4.604 10.081 -1.708 1.00 3.11 N ATOM 484 CZ ARG A 33 3.980 11.066 -2.357 1.00 3.98 C ATOM 485 NH1 ARG A 33 4.244 11.303 -3.638 1.00 4.34 N ATOM 486 NH2 ARG A 33 3.091 11.821 -1.715 1.00 4.85 N ATOM 0 H ARG A 33 4.020 6.061 1.097 1.00 1.17 H new ATOM 0 HA ARG A 33 6.797 6.918 0.967 1.00 1.57 H new ATOM 0 HB2 ARG A 33 5.383 6.442 -1.056 1.00 1.75 H new ATOM 0 HB3 ARG A 33 4.362 7.796 -0.616 1.00 1.75 H new ATOM 0 HG2 ARG A 33 6.802 9.017 -0.570 1.00 2.23 H new ATOM 0 HG3 ARG A 33 7.107 7.781 -1.774 1.00 2.23 H new ATOM 0 HD2 ARG A 33 6.299 9.769 -2.901 1.00 2.59 H new ATOM 0 HD3 ARG A 33 5.074 8.522 -3.028 1.00 2.59 H new ATOM 0 HE ARG A 33 4.387 9.945 -0.721 1.00 3.11 H new ATOM 0 HH11 ARG A 33 4.928 10.730 -4.132 1.00 4.34 H new ATOM 0 HH12 ARG A 33 3.763 12.058 -4.127 1.00 4.34 H new ATOM 0 HH21 ARG A 33 2.889 11.646 -0.731 1.00 4.85 H new ATOM 0 HH22 ARG A 33 2.612 12.575 -2.207 1.00 4.85 H new ATOM 500 N CYS A 34 6.527 8.954 2.409 1.00 2.31 N ATOM 501 CA CYS A 34 6.410 10.165 3.200 1.00 2.80 C ATOM 502 C CYS A 34 7.701 10.967 3.102 1.00 3.51 C ATOM 503 O CYS A 34 8.548 10.858 4.015 1.00 4.11 O ATOM 504 CB CYS A 34 6.098 9.810 4.661 1.00 3.10 C ATOM 505 SG CYS A 34 5.688 11.226 5.707 1.00 3.93 S ATOM 506 OXT CYS A 34 7.885 11.673 2.089 1.00 3.88 O ATOM 0 H CYS A 34 7.430 8.486 2.482 1.00 2.31 H new ATOM 0 HA CYS A 34 5.592 10.773 2.814 1.00 2.80 H new ATOM 0 HB2 CYS A 34 5.265 9.107 4.681 1.00 3.10 H new ATOM 0 HB3 CYS A 34 6.959 9.296 5.088 1.00 3.10 H new ATOM 0 HG CYS A 34 5.441 10.816 6.916 1.00 3.93 H new TER 512 CYS A 34