USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 250 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 VAL N :NH3+ 142:sc= -0.312 (180deg=-0.518) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00504 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0572 (180deg=-0.356) USER MOD Single : A 10 TYR OH : rot 141:sc= -0.739 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.5) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 135:sc= -1.64 (180deg=-5.56!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.62) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.0705 (180deg=0.0444) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.21 (180deg=-0.833) USER MOD Single : A 32 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.829 0.526 -6.259 1.00 1.00 N ATOM 2 CA VAL A 1 -8.501 1.063 -6.657 1.00 1.00 C ATOM 3 C VAL A 1 -8.337 2.511 -6.208 1.00 1.00 C ATOM 4 O VAL A 1 -9.266 3.311 -6.308 1.00 1.00 O ATOM 5 CB VAL A 1 -8.302 0.989 -8.182 1.00 1.00 C ATOM 6 CG1 VAL A 1 -8.139 -0.455 -8.631 1.00 1.00 C ATOM 7 CG2 VAL A 1 -9.465 1.652 -8.905 1.00 1.00 C ATOM 0 H1 VAL A 1 -10.195 -0.089 -7.013 1.00 1.00 H new ATOM 0 H2 VAL A 1 -9.733 -0.023 -5.381 1.00 1.00 H new ATOM 0 H3 VAL A 1 -10.490 1.314 -6.104 1.00 1.00 H new ATOM 0 HA VAL A 1 -7.749 0.444 -6.167 1.00 1.00 H new ATOM 0 HB VAL A 1 -7.390 1.529 -8.437 1.00 1.00 H new ATOM 0 HG11 VAL A 1 -8.000 -0.486 -9.712 1.00 1.00 H new ATOM 0 HG12 VAL A 1 -7.270 -0.893 -8.140 1.00 1.00 H new ATOM 0 HG13 VAL A 1 -9.031 -1.022 -8.364 1.00 1.00 H new ATOM 0 HG21 VAL A 1 -9.307 1.590 -9.982 1.00 1.00 H new ATOM 0 HG22 VAL A 1 -10.393 1.143 -8.645 1.00 1.00 H new ATOM 0 HG23 VAL A 1 -9.529 2.699 -8.607 1.00 1.00 H new ATOM 19 N SER A 2 -7.148 2.840 -5.713 1.00 1.00 N ATOM 20 CA SER A 2 -6.859 4.192 -5.248 1.00 1.00 C ATOM 21 C SER A 2 -7.751 4.564 -4.068 1.00 1.00 C ATOM 22 O SER A 2 -8.977 4.551 -4.174 1.00 1.00 O ATOM 23 CB SER A 2 -7.052 5.198 -6.384 1.00 1.00 C ATOM 24 OG SER A 2 -6.426 4.751 -7.574 1.00 1.00 O ATOM 0 H SER A 2 -6.369 2.188 -5.624 1.00 1.00 H new ATOM 0 HA SER A 2 -5.820 4.221 -4.919 1.00 1.00 H new ATOM 0 HB2 SER A 2 -8.117 5.348 -6.564 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.639 6.164 -6.093 1.00 1.00 H new ATOM 0 HG SER A 2 -6.566 5.411 -8.285 1.00 1.00 H new ATOM 30 N CYS A 3 -7.125 4.895 -2.942 1.00 1.00 N ATOM 31 CA CYS A 3 -7.862 5.272 -1.740 1.00 1.00 C ATOM 32 C CYS A 3 -7.298 6.545 -1.129 1.00 1.00 C ATOM 33 O CYS A 3 -6.285 7.075 -1.586 1.00 1.00 O ATOM 34 CB CYS A 3 -7.829 4.144 -0.702 1.00 1.00 C ATOM 35 SG CYS A 3 -6.354 3.074 -0.791 1.00 1.00 S ATOM 0 H CYS A 3 -6.111 4.910 -2.837 1.00 1.00 H new ATOM 0 HA CYS A 3 -8.896 5.453 -2.034 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -7.884 4.583 0.294 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -8.718 3.526 -0.828 1.00 1.00 H new ATOM 40 N THR A 4 -7.964 7.028 -0.087 1.00 1.00 N ATOM 41 CA THR A 4 -7.537 8.241 0.600 1.00 1.00 C ATOM 42 C THR A 4 -8.193 8.347 1.973 1.00 1.00 C ATOM 43 O THR A 4 -8.438 9.446 2.471 1.00 1.00 O ATOM 44 CB THR A 4 -7.874 9.476 -0.237 1.00 1.00 C ATOM 45 OG1 THR A 4 -8.049 9.130 -1.599 1.00 1.00 O ATOM 46 CG2 THR A 4 -6.810 10.551 -0.170 1.00 1.00 C ATOM 0 H THR A 4 -8.803 6.597 0.301 1.00 1.00 H new ATOM 0 HA THR A 4 -6.457 8.190 0.736 1.00 1.00 H new ATOM 0 HB THR A 4 -8.796 9.870 0.190 1.00 1.00 H new ATOM 0 HG1 THR A 4 -8.265 9.934 -2.116 1.00 1.00 H new ATOM 0 HG21 THR A 4 -7.110 11.399 -0.785 1.00 1.00 H new ATOM 0 HG22 THR A 4 -6.687 10.877 0.863 1.00 1.00 H new ATOM 0 HG23 THR A 4 -5.865 10.152 -0.539 1.00 1.00 H new ATOM 54 N GLY A 5 -8.474 7.199 2.580 1.00 1.00 N ATOM 55 CA GLY A 5 -9.099 7.185 3.889 1.00 1.00 C ATOM 56 C GLY A 5 -8.098 6.947 5.003 1.00 1.00 C ATOM 57 O GLY A 5 -8.295 7.398 6.131 1.00 1.00 O ATOM 0 H GLY A 5 -8.280 6.277 2.188 1.00 1.00 H new ATOM 0 HA2 GLY A 5 -9.607 8.135 4.057 1.00 1.00 H new ATOM 0 HA3 GLY A 5 -9.862 6.407 3.917 1.00 1.00 H new ATOM 61 N SER A 6 -7.021 6.235 4.684 1.00 1.00 N ATOM 62 CA SER A 6 -5.984 5.938 5.664 1.00 1.00 C ATOM 63 C SER A 6 -5.375 7.224 6.217 1.00 1.00 C ATOM 64 O SER A 6 -5.941 8.306 6.062 1.00 1.00 O ATOM 65 CB SER A 6 -4.894 5.069 5.032 1.00 1.00 C ATOM 66 OG SER A 6 -5.458 4.023 4.261 1.00 1.00 O ATOM 0 H SER A 6 -6.845 5.854 3.755 1.00 1.00 H new ATOM 0 HA SER A 6 -6.440 5.392 6.490 1.00 1.00 H new ATOM 0 HB2 SER A 6 -4.254 5.685 4.401 1.00 1.00 H new ATOM 0 HB3 SER A 6 -4.261 4.648 5.814 1.00 1.00 H new ATOM 0 HG SER A 6 -4.741 3.484 3.867 1.00 1.00 H new ATOM 72 N LYS A 7 -4.218 7.100 6.861 1.00 1.00 N ATOM 73 CA LYS A 7 -3.537 8.255 7.434 1.00 1.00 C ATOM 74 C LYS A 7 -2.026 8.038 7.479 1.00 1.00 C ATOM 75 O LYS A 7 -1.251 8.954 7.206 1.00 1.00 O ATOM 76 CB LYS A 7 -4.078 8.553 8.837 1.00 1.00 C ATOM 77 CG LYS A 7 -3.636 7.560 9.903 1.00 1.00 C ATOM 78 CD LYS A 7 -4.348 6.223 9.759 1.00 1.00 C ATOM 79 CE LYS A 7 -5.859 6.383 9.828 1.00 1.00 C ATOM 80 NZ LYS A 7 -6.276 7.227 10.981 1.00 1.00 N ATOM 0 H LYS A 7 -3.734 6.213 6.999 1.00 1.00 H new ATOM 0 HA LYS A 7 -3.734 9.114 6.793 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -3.758 9.552 9.133 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -5.167 8.566 8.798 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -2.559 7.408 9.834 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -3.836 7.974 10.891 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -4.073 5.764 8.809 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -4.017 5.547 10.547 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -6.219 6.830 8.902 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -6.325 5.401 9.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -7.302 7.134 11.126 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -5.776 6.916 11.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -6.042 8.221 10.786 1.00 1.00 H new ATOM 94 N ASP A 8 -1.612 6.822 7.826 1.00 1.00 N ATOM 95 CA ASP A 8 -0.193 6.493 7.905 1.00 1.00 C ATOM 96 C ASP A 8 0.082 5.118 7.305 1.00 1.00 C ATOM 97 O ASP A 8 0.861 4.336 7.850 1.00 1.00 O ATOM 98 CB ASP A 8 0.280 6.533 9.360 1.00 1.00 C ATOM 99 CG ASP A 8 1.786 6.659 9.475 1.00 1.00 C ATOM 100 OD1 ASP A 8 2.470 5.614 9.499 1.00 1.00 O ATOM 101 OD2 ASP A 8 2.283 7.804 9.541 1.00 1.00 O ATOM 0 H ASP A 8 -2.238 6.050 8.056 1.00 1.00 H new ATOM 0 HA ASP A 8 0.360 7.236 7.330 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -0.192 7.373 9.870 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -0.046 5.627 9.870 1.00 1.00 H new ATOM 106 N CYS A 9 -0.560 4.829 6.177 1.00 1.00 N ATOM 107 CA CYS A 9 -0.380 3.548 5.505 1.00 1.00 C ATOM 108 C CYS A 9 0.472 3.699 4.259 1.00 1.00 C ATOM 109 O CYS A 9 1.599 3.207 4.197 1.00 1.00 O ATOM 110 CB CYS A 9 -1.726 2.946 5.136 1.00 1.00 C ATOM 111 SG CYS A 9 -1.759 1.122 5.134 1.00 1.00 S ATOM 0 H CYS A 9 -1.208 5.464 5.710 1.00 1.00 H new ATOM 0 HA CYS A 9 0.133 2.880 6.197 1.00 1.00 H new ATOM 0 HB2 CYS A 9 -2.478 3.310 5.836 1.00 1.00 H new ATOM 0 HB3 CYS A 9 -2.012 3.304 4.147 1.00 1.00 H new ATOM 116 N TYR A 10 -0.075 4.385 3.269 1.00 1.00 N ATOM 117 CA TYR A 10 0.627 4.610 2.014 1.00 1.00 C ATOM 118 C TYR A 10 2.025 5.173 2.257 1.00 1.00 C ATOM 119 O TYR A 10 2.913 5.029 1.419 1.00 1.00 O ATOM 120 CB TYR A 10 -0.170 5.575 1.133 1.00 1.00 C ATOM 121 CG TYR A 10 -1.039 4.884 0.108 1.00 1.00 C ATOM 122 CD1 TYR A 10 -0.548 3.824 -0.641 1.00 1.00 C ATOM 123 CD2 TYR A 10 -2.349 5.292 -0.109 1.00 1.00 C ATOM 124 CE1 TYR A 10 -1.337 3.190 -1.580 1.00 1.00 C ATOM 125 CE2 TYR A 10 -3.145 4.663 -1.046 1.00 1.00 C ATOM 126 CZ TYR A 10 -2.635 3.612 -1.779 1.00 1.00 C ATOM 127 OH TYR A 10 -3.425 2.983 -2.714 1.00 1.00 O ATOM 0 H TYR A 10 -1.007 4.798 3.310 1.00 1.00 H new ATOM 0 HA TYR A 10 0.726 3.650 1.507 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.799 6.198 1.769 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.523 6.241 0.619 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.467 3.490 -0.487 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -2.751 6.114 0.464 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -0.940 2.367 -2.156 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -4.161 4.992 -1.204 1.00 1.00 H new ATOM 0 HH TYR A 10 -4.337 2.897 -2.367 1.00 1.00 H new ATOM 137 N ALA A 11 2.212 5.827 3.399 1.00 1.00 N ATOM 138 CA ALA A 11 3.505 6.421 3.730 1.00 1.00 C ATOM 139 C ALA A 11 4.562 5.368 4.062 1.00 1.00 C ATOM 140 O ALA A 11 5.496 5.155 3.287 1.00 1.00 O ATOM 141 CB ALA A 11 3.361 7.423 4.865 1.00 1.00 C ATOM 0 H ALA A 11 1.490 5.959 4.108 1.00 1.00 H new ATOM 0 HA ALA A 11 3.853 6.948 2.841 1.00 1.00 H new ATOM 0 HB1 ALA A 11 4.335 7.854 5.096 1.00 1.00 H new ATOM 0 HB2 ALA A 11 2.676 8.216 4.566 1.00 1.00 H new ATOM 0 HB3 ALA A 11 2.969 6.919 5.748 1.00 1.00 H new ATOM 147 N PRO A 12 4.437 4.692 5.220 1.00 1.00 N ATOM 148 CA PRO A 12 5.394 3.664 5.639 1.00 1.00 C ATOM 149 C PRO A 12 5.633 2.633 4.545 1.00 1.00 C ATOM 150 O PRO A 12 6.665 1.962 4.520 1.00 1.00 O ATOM 151 CB PRO A 12 4.730 3.012 6.862 1.00 1.00 C ATOM 152 CG PRO A 12 3.325 3.522 6.878 1.00 1.00 C ATOM 153 CD PRO A 12 3.364 4.862 6.207 1.00 1.00 C ATOM 0 HA PRO A 12 6.374 4.087 5.860 1.00 1.00 H new ATOM 0 HB2 PRO A 12 4.751 1.925 6.786 1.00 1.00 H new ATOM 0 HB3 PRO A 12 5.254 3.278 7.780 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.657 2.841 6.351 1.00 1.00 H new ATOM 0 HG3 PRO A 12 2.953 3.608 7.899 1.00 1.00 H new ATOM 0 HD2 PRO A 12 2.413 5.107 5.734 1.00 1.00 H new ATOM 0 HD3 PRO A 12 3.585 5.663 6.913 1.00 1.00 H new ATOM 161 N CYS A 13 4.667 2.514 3.643 1.00 1.00 N ATOM 162 CA CYS A 13 4.757 1.569 2.543 1.00 1.00 C ATOM 163 C CYS A 13 5.422 2.188 1.332 1.00 1.00 C ATOM 164 O CYS A 13 6.363 1.627 0.779 1.00 1.00 O ATOM 165 CB CYS A 13 3.373 1.090 2.160 1.00 1.00 C ATOM 166 SG CYS A 13 3.259 -0.696 1.825 1.00 1.00 S ATOM 0 H CYS A 13 3.808 3.065 3.654 1.00 1.00 H new ATOM 0 HA CYS A 13 5.365 0.728 2.878 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.680 1.341 2.963 1.00 1.00 H new ATOM 0 HB3 CYS A 13 3.046 1.635 1.274 1.00 1.00 H new ATOM 171 N ARG A 14 4.920 3.343 0.909 1.00 1.00 N ATOM 172 CA ARG A 14 5.470 4.015 -0.257 1.00 1.00 C ATOM 173 C ARG A 14 6.982 4.083 -0.167 1.00 1.00 C ATOM 174 O ARG A 14 7.680 3.972 -1.174 1.00 1.00 O ATOM 175 CB ARG A 14 4.874 5.415 -0.413 1.00 1.00 C ATOM 176 CG ARG A 14 5.482 6.217 -1.553 1.00 1.00 C ATOM 177 CD ARG A 14 5.085 7.683 -1.476 1.00 1.00 C ATOM 178 NE ARG A 14 3.635 7.855 -1.413 1.00 1.00 N ATOM 179 CZ ARG A 14 2.832 7.774 -2.472 1.00 1.00 C ATOM 180 NH1 ARG A 14 3.332 7.523 -3.676 1.00 1.00 N ATOM 181 NH2 ARG A 14 1.525 7.943 -2.326 1.00 1.00 N ATOM 0 H ARG A 14 4.140 3.828 1.353 1.00 1.00 H new ATOM 0 HA ARG A 14 5.203 3.436 -1.141 1.00 1.00 H new ATOM 0 HB2 ARG A 14 3.800 5.326 -0.576 1.00 1.00 H new ATOM 0 HB3 ARG A 14 5.011 5.964 0.519 1.00 1.00 H new ATOM 0 HG2 ARG A 14 6.568 6.131 -1.521 1.00 1.00 H new ATOM 0 HG3 ARG A 14 5.157 5.800 -2.506 1.00 1.00 H new ATOM 0 HD2 ARG A 14 5.542 8.137 -0.597 1.00 1.00 H new ATOM 0 HD3 ARG A 14 5.475 8.210 -2.346 1.00 1.00 H new ATOM 0 HE ARG A 14 3.213 8.048 -0.505 1.00 1.00 H new ATOM 0 HH11 ARG A 14 4.337 7.391 -3.794 1.00 1.00 H new ATOM 0 HH12 ARG A 14 2.712 7.462 -4.483 1.00 1.00 H new ATOM 0 HH21 ARG A 14 1.136 8.135 -1.403 1.00 1.00 H new ATOM 0 HH22 ARG A 14 0.909 7.881 -3.137 1.00 1.00 H new ATOM 195 N LYS A 15 7.489 4.227 1.048 1.00 1.00 N ATOM 196 CA LYS A 15 8.925 4.263 1.253 1.00 1.00 C ATOM 197 C LYS A 15 9.524 2.960 0.742 1.00 1.00 C ATOM 198 O LYS A 15 10.494 2.959 -0.015 1.00 1.00 O ATOM 199 CB LYS A 15 9.255 4.458 2.736 1.00 1.00 C ATOM 200 CG LYS A 15 9.849 5.821 3.052 1.00 1.00 C ATOM 201 CD LYS A 15 8.844 6.936 2.812 1.00 1.00 C ATOM 202 CE LYS A 15 9.056 8.093 3.777 1.00 1.00 C ATOM 203 NZ LYS A 15 8.380 7.858 5.082 1.00 1.00 N ATOM 0 H LYS A 15 6.932 4.320 1.898 1.00 1.00 H new ATOM 0 HA LYS A 15 9.350 5.104 0.705 1.00 1.00 H new ATOM 0 HB2 LYS A 15 8.347 4.322 3.323 1.00 1.00 H new ATOM 0 HB3 LYS A 15 9.956 3.684 3.049 1.00 1.00 H new ATOM 0 HG2 LYS A 15 10.178 5.844 4.091 1.00 1.00 H new ATOM 0 HG3 LYS A 15 10.732 5.986 2.434 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.934 7.295 1.787 1.00 1.00 H new ATOM 0 HD3 LYS A 15 7.832 6.546 2.926 1.00 1.00 H new ATOM 0 HE2 LYS A 15 10.124 8.237 3.942 1.00 1.00 H new ATOM 0 HE3 LYS A 15 8.675 9.012 3.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 8.548 8.669 5.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 7.358 7.746 4.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 8.761 6.995 5.520 1.00 1.00 H new ATOM 217 N GLN A 16 8.912 1.851 1.150 1.00 1.00 N ATOM 218 CA GLN A 16 9.353 0.532 0.726 1.00 1.00 C ATOM 219 C GLN A 16 9.029 0.281 -0.748 1.00 1.00 C ATOM 220 O GLN A 16 9.926 0.069 -1.564 1.00 1.00 O ATOM 221 CB GLN A 16 8.699 -0.548 1.592 1.00 1.00 C ATOM 222 CG GLN A 16 9.487 -0.877 2.849 1.00 1.00 C ATOM 223 CD GLN A 16 9.784 0.349 3.689 1.00 1.00 C ATOM 224 OE1 GLN A 16 8.938 0.814 4.452 1.00 1.00 O ATOM 225 NE2 GLN A 16 10.994 0.880 3.552 1.00 1.00 N ATOM 0 H GLN A 16 8.107 1.844 1.776 1.00 1.00 H new ATOM 0 HA GLN A 16 10.435 0.489 0.848 1.00 1.00 H new ATOM 0 HB2 GLN A 16 7.699 -0.219 1.875 1.00 1.00 H new ATOM 0 HB3 GLN A 16 8.580 -1.455 0.999 1.00 1.00 H new ATOM 0 HG2 GLN A 16 8.926 -1.595 3.447 1.00 1.00 H new ATOM 0 HG3 GLN A 16 10.425 -1.357 2.570 1.00 1.00 H new ATOM 0 HE21 GLN A 16 11.665 0.461 2.907 1.00 1.00 H new ATOM 0 HE22 GLN A 16 11.252 1.706 4.091 1.00 1.00 H new ATOM 234 N THR A 17 7.735 0.287 -1.074 1.00 1.00 N ATOM 235 CA THR A 17 7.276 0.041 -2.433 1.00 1.00 C ATOM 236 C THR A 17 7.596 1.200 -3.367 1.00 1.00 C ATOM 237 O THR A 17 8.286 1.035 -4.373 1.00 1.00 O ATOM 238 CB THR A 17 5.768 -0.229 -2.429 1.00 1.00 C ATOM 239 OG1 THR A 17 5.238 -0.107 -1.121 1.00 1.00 O ATOM 240 CG2 THR A 17 5.405 -1.605 -2.942 1.00 1.00 C ATOM 0 H THR A 17 6.985 0.462 -0.406 1.00 1.00 H new ATOM 0 HA THR A 17 7.808 -0.833 -2.808 1.00 1.00 H new ATOM 0 HB THR A 17 5.341 0.517 -3.099 1.00 1.00 H new ATOM 0 HG1 THR A 17 4.274 -0.282 -1.141 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.323 -1.731 -2.912 1.00 1.00 H new ATOM 0 HG22 THR A 17 5.755 -1.715 -3.968 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.875 -2.363 -2.315 1.00 1.00 H new ATOM 248 N GLY A 18 7.067 2.363 -3.030 1.00 1.00 N ATOM 249 CA GLY A 18 7.268 3.542 -3.840 1.00 1.00 C ATOM 250 C GLY A 18 6.410 3.532 -5.078 1.00 1.00 C ATOM 251 O GLY A 18 6.740 2.895 -6.078 1.00 1.00 O ATOM 0 H GLY A 18 6.495 2.512 -2.199 1.00 1.00 H new ATOM 0 HA2 GLY A 18 7.041 4.430 -3.250 1.00 1.00 H new ATOM 0 HA3 GLY A 18 8.317 3.609 -4.127 1.00 1.00 H new ATOM 255 N CYS A 19 5.313 4.257 -4.986 1.00 1.00 N ATOM 256 CA CYS A 19 4.338 4.400 -6.056 1.00 1.00 C ATOM 257 C CYS A 19 2.955 4.728 -5.487 1.00 1.00 C ATOM 258 O CYS A 19 2.533 4.139 -4.493 1.00 1.00 O ATOM 259 CB CYS A 19 4.262 3.171 -6.937 1.00 1.00 C ATOM 260 SG CYS A 19 4.169 1.580 -6.050 1.00 1.00 S ATOM 0 H CYS A 19 5.066 4.778 -4.144 1.00 1.00 H new ATOM 0 HA CYS A 19 4.675 5.227 -6.681 1.00 1.00 H new ATOM 0 HB2 CYS A 19 3.388 3.260 -7.582 1.00 1.00 H new ATOM 0 HB3 CYS A 19 5.137 3.155 -7.587 1.00 1.00 H new ATOM 265 N PRO A 20 2.236 5.687 -6.101 1.00 1.00 N ATOM 266 CA PRO A 20 0.903 6.102 -5.635 1.00 1.00 C ATOM 267 C PRO A 20 -0.121 4.968 -5.624 1.00 1.00 C ATOM 268 O PRO A 20 -1.187 5.096 -5.023 1.00 1.00 O ATOM 269 CB PRO A 20 0.484 7.177 -6.645 1.00 1.00 C ATOM 270 CG PRO A 20 1.755 7.647 -7.262 1.00 1.00 C ATOM 271 CD PRO A 20 2.668 6.457 -7.281 1.00 1.00 C ATOM 0 HA PRO A 20 0.943 6.447 -4.602 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -0.192 6.769 -7.397 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -0.042 7.996 -6.154 1.00 1.00 H new ATOM 0 HG2 PRO A 20 1.584 8.024 -8.270 1.00 1.00 H new ATOM 0 HG3 PRO A 20 2.190 8.464 -6.686 1.00 1.00 H new ATOM 0 HD2 PRO A 20 2.561 5.881 -8.200 1.00 1.00 H new ATOM 0 HD3 PRO A 20 3.715 6.751 -7.210 1.00 1.00 H new ATOM 279 N TYR A 21 0.189 3.867 -6.302 1.00 1.00 N ATOM 280 CA TYR A 21 -0.710 2.738 -6.377 1.00 1.00 C ATOM 281 C TYR A 21 -0.829 2.021 -5.032 1.00 1.00 C ATOM 282 O TYR A 21 0.000 2.204 -4.141 1.00 1.00 O ATOM 283 CB TYR A 21 -0.217 1.764 -7.443 1.00 1.00 C ATOM 284 CG TYR A 21 0.689 2.375 -8.495 1.00 1.00 C ATOM 285 CD1 TYR A 21 0.342 3.557 -9.137 1.00 1.00 C ATOM 286 CD2 TYR A 21 1.887 1.766 -8.844 1.00 1.00 C ATOM 287 CE1 TYR A 21 1.165 4.115 -10.098 1.00 1.00 C ATOM 288 CE2 TYR A 21 2.716 2.317 -9.803 1.00 1.00 C ATOM 289 CZ TYR A 21 2.350 3.492 -10.427 1.00 1.00 C ATOM 290 OH TYR A 21 3.172 4.044 -11.381 1.00 1.00 O ATOM 0 H TYR A 21 1.065 3.740 -6.809 1.00 1.00 H new ATOM 0 HA TYR A 21 -1.699 3.110 -6.643 1.00 1.00 H new ATOM 0 HB2 TYR A 21 0.317 0.950 -6.952 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -1.081 1.324 -7.940 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -0.585 4.048 -8.881 1.00 1.00 H new ATOM 0 HD2 TYR A 21 2.176 0.846 -8.358 1.00 1.00 H new ATOM 0 HE1 TYR A 21 0.881 5.034 -10.588 1.00 1.00 H new ATOM 0 HE2 TYR A 21 3.645 1.831 -10.062 1.00 1.00 H new ATOM 0 HH TYR A 21 3.967 3.482 -11.493 1.00 1.00 H new ATOM 300 N GLY A 22 -1.869 1.198 -4.906 1.00 1.00 N ATOM 301 CA GLY A 22 -2.096 0.446 -3.679 1.00 1.00 C ATOM 302 C GLY A 22 -3.349 -0.402 -3.756 1.00 1.00 C ATOM 303 O GLY A 22 -4.273 -0.076 -4.500 1.00 1.00 O ATOM 0 H GLY A 22 -2.563 1.037 -5.636 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -1.236 -0.195 -3.482 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -2.177 1.137 -2.840 1.00 1.00 H new ATOM 307 N LYS A 23 -3.399 -1.486 -2.982 1.00 1.00 N ATOM 308 CA LYS A 23 -4.571 -2.347 -2.982 1.00 1.00 C ATOM 309 C LYS A 23 -5.463 -2.029 -1.785 1.00 1.00 C ATOM 310 O LYS A 23 -6.470 -2.697 -1.551 1.00 1.00 O ATOM 311 CB LYS A 23 -4.156 -3.823 -2.961 1.00 1.00 C ATOM 312 CG LYS A 23 -4.812 -4.653 -4.053 1.00 1.00 C ATOM 313 CD LYS A 23 -6.010 -5.425 -3.524 1.00 1.00 C ATOM 314 CE LYS A 23 -5.661 -6.880 -3.256 1.00 1.00 C ATOM 315 NZ LYS A 23 -6.376 -7.411 -2.062 1.00 1.00 N ATOM 0 H LYS A 23 -2.650 -1.782 -2.356 1.00 1.00 H new ATOM 0 HA LYS A 23 -5.135 -2.161 -3.896 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -3.073 -3.889 -3.066 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -4.409 -4.249 -1.990 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -5.129 -4.000 -4.866 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.084 -5.350 -4.469 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -6.367 -4.960 -2.605 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -6.826 -5.372 -4.245 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -5.915 -7.481 -4.129 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -4.585 -6.974 -3.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -6.764 -8.351 -2.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -5.712 -7.486 -1.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -7.152 -6.767 -1.807 1.00 1.00 H new ATOM 329 N CYS A 24 -5.079 -0.999 -1.029 1.00 1.00 N ATOM 330 CA CYS A 24 -5.823 -0.575 0.148 1.00 1.00 C ATOM 331 C CYS A 24 -7.305 -0.383 -0.170 1.00 1.00 C ATOM 332 O CYS A 24 -7.678 0.474 -0.973 1.00 1.00 O ATOM 333 CB CYS A 24 -5.195 0.710 0.717 1.00 1.00 C ATOM 334 SG CYS A 24 -6.346 2.103 0.991 1.00 1.00 S ATOM 0 H CYS A 24 -4.247 -0.440 -1.218 1.00 1.00 H new ATOM 0 HA CYS A 24 -5.764 -1.357 0.905 1.00 1.00 H new ATOM 0 HB2 CYS A 24 -4.715 0.468 1.665 1.00 1.00 H new ATOM 0 HB3 CYS A 24 -4.410 1.040 0.037 1.00 1.00 H new ATOM 339 N MET A 25 -8.142 -1.186 0.477 1.00 1.00 N ATOM 340 CA MET A 25 -9.584 -1.111 0.287 1.00 1.00 C ATOM 341 C MET A 25 -10.237 -0.457 1.493 1.00 1.00 C ATOM 342 O MET A 25 -9.777 -0.618 2.623 1.00 1.00 O ATOM 343 CB MET A 25 -10.167 -2.509 0.066 1.00 1.00 C ATOM 344 CG MET A 25 -9.972 -3.032 -1.348 1.00 1.00 C ATOM 345 SD MET A 25 -11.204 -2.396 -2.500 1.00 1.00 S ATOM 346 CE MET A 25 -11.490 -3.838 -3.522 1.00 1.00 C ATOM 0 H MET A 25 -7.843 -1.900 1.141 1.00 1.00 H new ATOM 0 HA MET A 25 -9.787 -0.506 -0.596 1.00 1.00 H new ATOM 0 HB2 MET A 25 -9.704 -3.202 0.768 1.00 1.00 H new ATOM 0 HB3 MET A 25 -11.233 -2.489 0.294 1.00 1.00 H new ATOM 0 HG2 MET A 25 -8.977 -2.758 -1.699 1.00 1.00 H new ATOM 0 HG3 MET A 25 -10.018 -4.121 -1.338 1.00 1.00 H new ATOM 0 HE1 MET A 25 -12.232 -3.602 -4.285 1.00 1.00 H new ATOM 0 HE2 MET A 25 -10.557 -4.135 -4.002 1.00 1.00 H new ATOM 0 HE3 MET A 25 -11.855 -4.657 -2.902 1.00 1.00 H new ATOM 356 N ASN A 26 -11.303 0.293 1.245 1.00 1.00 N ATOM 357 CA ASN A 26 -12.017 0.987 2.320 1.00 1.00 C ATOM 358 C ASN A 26 -12.223 0.070 3.522 1.00 1.00 C ATOM 359 O ASN A 26 -12.845 -0.987 3.416 1.00 1.00 O ATOM 360 CB ASN A 26 -13.378 1.514 1.850 1.00 1.00 C ATOM 361 CG ASN A 26 -13.440 1.782 0.357 1.00 1.00 C ATOM 362 OD1 ASN A 26 -13.757 0.893 -0.433 1.00 1.00 O ATOM 363 ND2 ASN A 26 -13.136 3.014 -0.036 1.00 1.00 N ATOM 0 H ASN A 26 -11.694 0.439 0.314 1.00 1.00 H new ATOM 0 HA ASN A 26 -11.397 1.834 2.613 1.00 1.00 H new ATOM 0 HB2 ASN A 26 -14.150 0.791 2.114 1.00 1.00 H new ATOM 0 HB3 ASN A 26 -13.607 2.435 2.386 1.00 1.00 H new ATOM 0 HD21 ASN A 26 -13.160 3.254 -1.027 1.00 1.00 H new ATOM 0 HD22 ASN A 26 -12.879 3.720 0.653 1.00 1.00 H new ATOM 370 N ARG A 27 -11.690 0.488 4.662 1.00 1.00 N ATOM 371 CA ARG A 27 -11.797 -0.280 5.899 1.00 1.00 C ATOM 372 C ARG A 27 -10.847 -1.471 5.880 1.00 1.00 C ATOM 373 O ARG A 27 -11.113 -2.501 6.499 1.00 1.00 O ATOM 374 CB ARG A 27 -13.236 -0.757 6.119 1.00 1.00 C ATOM 375 CG ARG A 27 -13.723 -0.566 7.546 1.00 1.00 C ATOM 376 CD ARG A 27 -15.125 0.021 7.585 1.00 1.00 C ATOM 377 NE ARG A 27 -16.142 -0.964 7.223 1.00 1.00 N ATOM 378 CZ ARG A 27 -17.376 -0.649 6.839 1.00 1.00 C ATOM 379 NH1 ARG A 27 -17.752 0.623 6.766 1.00 1.00 N ATOM 380 NH2 ARG A 27 -18.238 -1.606 6.527 1.00 1.00 N ATOM 0 H ARG A 27 -11.174 1.363 4.758 1.00 1.00 H new ATOM 0 HA ARG A 27 -11.517 0.374 6.725 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -13.898 -0.217 5.442 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -13.305 -1.813 5.858 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -13.715 -1.524 8.065 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -13.037 0.092 8.080 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -15.330 0.403 8.585 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -15.182 0.869 6.902 1.00 1.00 H new ATOM 0 HE ARG A 27 -15.891 -1.952 7.267 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -17.093 1.364 7.005 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -18.700 0.859 6.471 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -17.955 -2.585 6.581 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -19.184 -1.364 6.233 1.00 1.00 H new ATOM 394 N LYS A 28 -9.735 -1.318 5.168 1.00 1.00 N ATOM 395 CA LYS A 28 -8.735 -2.381 5.069 1.00 1.00 C ATOM 396 C LYS A 28 -7.611 -1.998 4.108 1.00 1.00 C ATOM 397 O LYS A 28 -7.777 -2.054 2.891 1.00 1.00 O ATOM 398 CB LYS A 28 -9.386 -3.688 4.605 1.00 1.00 C ATOM 399 CG LYS A 28 -8.982 -4.897 5.434 1.00 1.00 C ATOM 400 CD LYS A 28 -9.494 -4.789 6.861 1.00 1.00 C ATOM 401 CE LYS A 28 -10.954 -5.203 6.962 1.00 1.00 C ATOM 402 NZ LYS A 28 -11.557 -4.797 8.262 1.00 1.00 N ATOM 0 H LYS A 28 -9.502 -0.470 4.651 1.00 1.00 H new ATOM 0 HA LYS A 28 -8.307 -2.524 6.061 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -10.470 -3.578 4.643 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -9.120 -3.867 3.563 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -9.374 -5.803 4.973 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -7.896 -4.988 5.442 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -8.890 -5.419 7.514 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -9.380 -3.764 7.213 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -11.517 -4.753 6.144 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -11.034 -6.284 6.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -12.477 -5.267 8.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -10.925 -5.075 9.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -11.690 -3.766 8.276 1.00 1.00 H new ATOM 416 N CYS A 29 -6.466 -1.612 4.664 1.00 1.00 N ATOM 417 CA CYS A 29 -5.316 -1.226 3.860 1.00 1.00 C ATOM 418 C CYS A 29 -4.652 -2.439 3.227 1.00 1.00 C ATOM 419 O CYS A 29 -4.835 -3.570 3.676 1.00 1.00 O ATOM 420 CB CYS A 29 -4.299 -0.484 4.710 1.00 1.00 C ATOM 421 SG CYS A 29 -3.213 0.657 3.791 1.00 1.00 S ATOM 0 H CYS A 29 -6.312 -1.559 5.671 1.00 1.00 H new ATOM 0 HA CYS A 29 -5.676 -0.571 3.067 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.831 0.082 5.475 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -3.678 -1.215 5.228 1.00 1.00 H new ATOM 426 N LYS A 30 -3.867 -2.187 2.190 1.00 1.00 N ATOM 427 CA LYS A 30 -3.145 -3.243 1.487 1.00 1.00 C ATOM 428 C LYS A 30 -2.444 -2.682 0.257 1.00 1.00 C ATOM 429 O LYS A 30 -2.978 -2.711 -0.845 1.00 1.00 O ATOM 430 CB LYS A 30 -4.071 -4.404 1.090 1.00 1.00 C ATOM 431 CG LYS A 30 -5.524 -4.009 0.880 1.00 1.00 C ATOM 432 CD LYS A 30 -6.249 -5.009 -0.005 1.00 1.00 C ATOM 433 CE LYS A 30 -6.702 -6.226 0.785 1.00 1.00 C ATOM 434 NZ LYS A 30 -7.595 -5.853 1.917 1.00 1.00 N ATOM 0 H LYS A 30 -3.712 -1.252 1.812 1.00 1.00 H new ATOM 0 HA LYS A 30 -2.397 -3.639 2.174 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -3.694 -4.855 0.172 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.024 -5.170 1.864 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.027 -3.943 1.844 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.571 -3.019 0.427 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.113 -4.530 -0.465 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.591 -5.324 -0.815 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.225 -6.915 0.122 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -5.830 -6.754 1.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -8.168 -6.676 2.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -7.019 -5.545 2.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.222 -5.077 1.623 1.00 1.00 H new ATOM 448 N CYS A 31 -1.239 -2.171 0.478 1.00 1.00 N ATOM 449 CA CYS A 31 -0.403 -1.584 -0.579 1.00 1.00 C ATOM 450 C CYS A 31 -0.476 -2.359 -1.881 1.00 1.00 C ATOM 451 O CYS A 31 -1.039 -3.447 -1.963 1.00 1.00 O ATOM 452 CB CYS A 31 1.056 -1.515 -0.111 1.00 1.00 C ATOM 453 SG CYS A 31 1.264 -1.004 1.630 1.00 1.00 S ATOM 0 H CYS A 31 -0.805 -2.149 1.401 1.00 1.00 H new ATOM 0 HA CYS A 31 -0.790 -0.583 -0.771 1.00 1.00 H new ATOM 0 HB2 CYS A 31 1.516 -2.494 -0.247 1.00 1.00 H new ATOM 0 HB3 CYS A 31 1.597 -0.817 -0.749 1.00 1.00 H new ATOM 458 N ASN A 32 0.085 -1.747 -2.903 1.00 1.00 N ATOM 459 CA ASN A 32 0.117 -2.314 -4.237 1.00 1.00 C ATOM 460 C ASN A 32 1.300 -3.253 -4.402 1.00 1.00 C ATOM 461 O ASN A 32 2.109 -3.428 -3.490 1.00 1.00 O ATOM 462 CB ASN A 32 0.244 -1.192 -5.246 1.00 1.00 C ATOM 463 CG ASN A 32 -0.396 -1.515 -6.582 1.00 1.00 C ATOM 464 OD1 ASN A 32 -1.620 -1.595 -6.694 1.00 1.00 O ATOM 465 ND2 ASN A 32 0.431 -1.704 -7.604 1.00 1.00 N ATOM 0 H ASN A 32 0.536 -0.835 -2.832 1.00 1.00 H new ATOM 0 HA ASN A 32 -0.803 -2.877 -4.396 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -0.216 -0.292 -4.838 1.00 1.00 H new ATOM 0 HB3 ASN A 32 1.300 -0.969 -5.401 1.00 1.00 H new ATOM 0 HD21 ASN A 32 0.058 -1.925 -8.527 1.00 1.00 H new ATOM 0 HD22 ASN A 32 1.439 -1.628 -7.465 1.00 1.00 H new ATOM 472 N ARG A 33 1.408 -3.825 -5.590 1.00 1.00 N ATOM 473 CA ARG A 33 2.510 -4.720 -5.913 1.00 1.00 C ATOM 474 C ARG A 33 3.521 -3.981 -6.769 1.00 1.00 C ATOM 475 O ARG A 33 3.538 -4.103 -7.995 1.00 1.00 O ATOM 476 CB ARG A 33 2.005 -5.971 -6.634 1.00 1.00 C ATOM 477 CG ARG A 33 2.741 -7.241 -6.238 1.00 1.00 C ATOM 478 CD ARG A 33 4.136 -7.286 -6.838 1.00 1.00 C ATOM 479 NE ARG A 33 5.068 -8.038 -6.001 1.00 1.00 N ATOM 480 CZ ARG A 33 6.392 -7.944 -6.097 1.00 1.00 C ATOM 481 NH1 ARG A 33 6.945 -7.133 -6.991 1.00 1.00 N ATOM 482 NH2 ARG A 33 7.167 -8.664 -5.298 1.00 1.00 N ATOM 0 H ARG A 33 0.743 -3.685 -6.351 1.00 1.00 H new ATOM 0 HA ARG A 33 2.988 -5.043 -4.988 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.943 -6.097 -6.425 1.00 1.00 H new ATOM 0 HB3 ARG A 33 2.103 -5.825 -7.710 1.00 1.00 H new ATOM 0 HG2 ARG A 33 2.809 -7.300 -5.152 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.173 -8.110 -6.569 1.00 1.00 H new ATOM 0 HD2 ARG A 33 4.090 -7.740 -7.828 1.00 1.00 H new ATOM 0 HD3 ARG A 33 4.507 -6.270 -6.970 1.00 1.00 H new ATOM 0 HE ARG A 33 4.681 -8.672 -5.302 1.00 1.00 H new ATOM 0 HH11 ARG A 33 6.354 -6.577 -7.610 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.960 -7.066 -7.059 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.748 -9.290 -4.610 1.00 1.00 H new ATOM 0 HH22 ARG A 33 8.182 -8.592 -5.371 1.00 1.00 H new ATOM 496 N CYS A 34 4.348 -3.195 -6.100 1.00 1.00 N ATOM 497 CA CYS A 34 5.364 -2.395 -6.761 1.00 1.00 C ATOM 498 C CYS A 34 6.680 -3.156 -6.887 1.00 1.00 C ATOM 499 O CYS A 34 7.290 -3.458 -5.840 1.00 1.00 O ATOM 500 CB CYS A 34 5.567 -1.107 -5.985 1.00 1.00 C ATOM 501 SG CYS A 34 5.530 0.407 -6.999 1.00 1.00 S ATOM 502 OXT CYS A 34 7.088 -3.445 -8.032 1.00 1.00 O ATOM 0 H CYS A 34 4.334 -3.094 -5.085 1.00 1.00 H new ATOM 0 HA CYS A 34 5.025 -2.165 -7.771 1.00 1.00 H new ATOM 0 HB2 CYS A 34 4.794 -1.034 -5.220 1.00 1.00 H new ATOM 0 HB3 CYS A 34 6.525 -1.158 -5.467 1.00 1.00 H new TER 507 CYS A 34