USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 262 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 GLY N :NH3+ -113:sc= 1.1 (180deg=-1.97!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0378 (180deg=-0.282) USER MOD Single : A 10 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.97) USER MOD Single : A 12 LYS NZ :NH3+ -131:sc= -1.48 (180deg=-3.97!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0402 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.601 11.381 1.777 1.00 0.00 N ATOM 2 CA GLY A 1 7.192 12.416 2.752 1.00 0.00 C ATOM 3 C GLY A 1 6.271 11.849 3.804 1.00 0.00 C ATOM 4 O GLY A 1 6.610 11.827 4.985 1.00 0.00 O ATOM 0 H1 GLY A 1 8.619 11.195 1.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.070 10.505 1.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.401 11.715 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.076 12.838 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.692 13.232 2.230 1.00 0.00 H new ATOM 10 N LEU A 2 5.116 11.361 3.377 1.00 0.00 N ATOM 11 CA LEU A 2 4.168 10.768 4.302 1.00 0.00 C ATOM 12 C LEU A 2 4.444 9.273 4.409 1.00 0.00 C ATOM 13 O LEU A 2 4.756 8.625 3.409 1.00 0.00 O ATOM 14 CB LEU A 2 2.728 11.032 3.850 1.00 0.00 C ATOM 15 CG LEU A 2 1.655 10.784 4.916 1.00 0.00 C ATOM 16 CD1 LEU A 2 1.949 11.595 6.169 1.00 0.00 C ATOM 17 CD2 LEU A 2 0.277 11.134 4.377 1.00 0.00 C ATOM 0 H LEU A 2 4.816 11.365 2.402 1.00 0.00 H new ATOM 0 HA LEU A 2 4.288 11.224 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.653 12.067 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.513 10.401 2.987 1.00 0.00 H new ATOM 0 HG LEU A 2 1.670 9.725 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.177 11.406 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.920 11.305 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.962 12.656 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.472 10.952 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.255 12.185 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.059 10.516 3.506 1.00 0.00 H new ATOM 29 N LEU A 3 4.359 8.741 5.619 1.00 0.00 N ATOM 30 CA LEU A 3 4.625 7.327 5.858 1.00 0.00 C ATOM 31 C LEU A 3 3.639 6.440 5.102 1.00 0.00 C ATOM 32 O LEU A 3 2.433 6.696 5.091 1.00 0.00 O ATOM 33 CB LEU A 3 4.586 6.999 7.360 1.00 0.00 C ATOM 34 CG LEU A 3 3.217 7.111 8.049 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.228 6.350 9.364 1.00 0.00 C ATOM 36 CD2 LEU A 3 2.847 8.568 8.296 1.00 0.00 C ATOM 0 H LEU A 3 4.107 9.268 6.455 1.00 0.00 H new ATOM 0 HA LEU A 3 5.628 7.121 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.955 5.983 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.282 7.663 7.873 1.00 0.00 H new ATOM 0 HG LEU A 3 2.469 6.674 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.253 6.437 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.447 5.299 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.992 6.767 10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.874 8.618 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.599 9.031 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.803 9.099 7.345 1.00 0.00 H new ATOM 48 N CYS A 4 4.164 5.397 4.476 1.00 0.00 N ATOM 49 CA CYS A 4 3.345 4.460 3.727 1.00 0.00 C ATOM 50 C CYS A 4 2.610 3.533 4.691 1.00 0.00 C ATOM 51 O CYS A 4 2.981 3.422 5.860 1.00 0.00 O ATOM 52 CB CYS A 4 4.210 3.661 2.752 1.00 0.00 C ATOM 53 SG CYS A 4 5.300 4.692 1.711 1.00 0.00 S ATOM 0 H CYS A 4 5.160 5.179 4.473 1.00 0.00 H new ATOM 0 HA CYS A 4 2.607 5.013 3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.822 2.958 3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.561 3.070 2.106 1.00 0.00 H new ATOM 58 N TYR A 5 1.561 2.885 4.214 1.00 0.00 N ATOM 59 CA TYR A 5 0.776 1.998 5.056 1.00 0.00 C ATOM 60 C TYR A 5 0.649 0.600 4.473 1.00 0.00 C ATOM 61 O TYR A 5 0.397 0.412 3.279 1.00 0.00 O ATOM 62 CB TYR A 5 -0.606 2.613 5.331 1.00 0.00 C ATOM 63 CG TYR A 5 -1.300 3.189 4.109 1.00 0.00 C ATOM 64 CD1 TYR A 5 -1.832 2.364 3.129 1.00 0.00 C ATOM 65 CD2 TYR A 5 -1.437 4.563 3.949 1.00 0.00 C ATOM 66 CE1 TYR A 5 -2.473 2.885 2.024 1.00 0.00 C ATOM 67 CE2 TYR A 5 -2.081 5.094 2.846 1.00 0.00 C ATOM 68 CZ TYR A 5 -2.596 4.249 1.887 1.00 0.00 C ATOM 69 OH TYR A 5 -3.242 4.768 0.789 1.00 0.00 O ATOM 0 H TYR A 5 1.234 2.956 3.251 1.00 0.00 H new ATOM 0 HA TYR A 5 1.309 1.889 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.248 1.849 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.496 3.402 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.743 1.293 3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.034 5.227 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.876 2.226 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.180 6.164 2.737 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.244 5.747 0.843 1.00 0.00 H new ATOM 79 N CYS A 6 0.818 -0.381 5.345 1.00 0.00 N ATOM 80 CA CYS A 6 0.713 -1.776 4.971 1.00 0.00 C ATOM 81 C CYS A 6 -0.760 -2.163 4.930 1.00 0.00 C ATOM 82 O CYS A 6 -1.501 -1.875 5.873 1.00 0.00 O ATOM 83 CB CYS A 6 1.466 -2.640 5.984 1.00 0.00 C ATOM 84 SG CYS A 6 1.460 -4.420 5.613 1.00 0.00 S ATOM 0 H CYS A 6 1.032 -0.229 6.331 1.00 0.00 H new ATOM 0 HA CYS A 6 1.155 -1.935 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.499 -2.297 6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.028 -2.486 6.970 1.00 0.00 H new ATOM 89 N ARG A 7 -1.200 -2.778 3.843 1.00 0.00 N ATOM 90 CA ARG A 7 -2.603 -3.152 3.712 1.00 0.00 C ATOM 91 C ARG A 7 -2.770 -4.593 3.250 1.00 0.00 C ATOM 92 O ARG A 7 -2.046 -5.068 2.374 1.00 0.00 O ATOM 93 CB ARG A 7 -3.321 -2.227 2.721 1.00 0.00 C ATOM 94 CG ARG A 7 -3.230 -0.747 3.061 1.00 0.00 C ATOM 95 CD ARG A 7 -3.747 -0.448 4.460 1.00 0.00 C ATOM 96 NE ARG A 7 -5.138 -0.870 4.643 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.780 -0.824 5.812 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.147 -0.408 6.904 1.00 0.00 N ATOM 99 NH2 ARG A 7 -7.051 -1.208 5.892 1.00 0.00 N ATOM 0 H ARG A 7 -0.615 -3.027 3.046 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.046 -3.052 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.902 -2.385 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.372 -2.512 2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.193 -0.420 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.803 -0.172 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.118 -0.953 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.666 0.622 4.653 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.645 -1.219 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.169 -0.123 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.639 -0.373 7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.537 -1.539 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.539 -1.172 6.787 1.00 0.00 H new ATOM 113 N LYS A 8 -3.756 -5.268 3.825 1.00 0.00 N ATOM 114 CA LYS A 8 -4.069 -6.646 3.469 1.00 0.00 C ATOM 115 C LYS A 8 -5.029 -6.653 2.279 1.00 0.00 C ATOM 116 O LYS A 8 -6.067 -7.313 2.279 1.00 0.00 O ATOM 117 CB LYS A 8 -4.659 -7.370 4.684 1.00 0.00 C ATOM 118 CG LYS A 8 -4.972 -8.845 4.462 1.00 0.00 C ATOM 119 CD LYS A 8 -3.774 -9.597 3.912 1.00 0.00 C ATOM 120 CE LYS A 8 -4.043 -11.089 3.820 1.00 0.00 C ATOM 121 NZ LYS A 8 -4.259 -11.695 5.161 1.00 0.00 N ATOM 0 H LYS A 8 -4.360 -4.878 4.549 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.164 -7.178 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.960 -7.283 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.575 -6.860 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.284 -9.296 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.809 -8.939 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.524 -9.210 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.909 -9.422 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.921 -11.262 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.202 -11.580 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.169 -12.729 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.548 -11.329 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.211 -11.452 5.503 1.00 0.00 H new ATOM 135 N GLY A 9 -4.661 -5.890 1.272 1.00 0.00 N ATOM 136 CA GLY A 9 -5.461 -5.778 0.073 1.00 0.00 C ATOM 137 C GLY A 9 -4.966 -4.663 -0.821 1.00 0.00 C ATOM 138 O GLY A 9 -3.833 -4.205 -0.669 1.00 0.00 O ATOM 0 H GLY A 9 -3.806 -5.334 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.435 -6.722 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.501 -5.594 0.344 1.00 0.00 H new ATOM 142 N HIS A 10 -5.808 -4.216 -1.748 1.00 0.00 N ATOM 143 CA HIS A 10 -5.434 -3.141 -2.669 1.00 0.00 C ATOM 144 C HIS A 10 -5.461 -1.765 -1.989 1.00 0.00 C ATOM 145 O HIS A 10 -6.249 -0.887 -2.354 1.00 0.00 O ATOM 146 CB HIS A 10 -6.314 -3.146 -3.939 1.00 0.00 C ATOM 147 CG HIS A 10 -7.787 -2.898 -3.725 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.651 -2.614 -4.764 1.00 0.00 N ATOM 149 CD2 HIS A 10 -8.547 -2.901 -2.601 1.00 0.00 C ATOM 150 CE1 HIS A 10 -9.872 -2.450 -4.289 1.00 0.00 C ATOM 151 NE2 HIS A 10 -9.836 -2.620 -2.980 1.00 0.00 N ATOM 0 H HIS A 10 -6.752 -4.578 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.406 -3.335 -2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.934 -2.387 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.196 -4.110 -4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.202 -3.089 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.751 -2.217 -4.872 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.637 -2.553 -2.352 1.00 0.00 H new ATOM 159 N CYS A 11 -4.587 -1.587 -1.003 1.00 0.00 N ATOM 160 CA CYS A 11 -4.478 -0.328 -0.271 1.00 0.00 C ATOM 161 C CYS A 11 -5.795 0.036 0.411 1.00 0.00 C ATOM 162 O CYS A 11 -6.616 -0.833 0.719 1.00 0.00 O ATOM 163 CB CYS A 11 -4.061 0.792 -1.231 1.00 0.00 C ATOM 164 SG CYS A 11 -2.700 0.338 -2.352 1.00 0.00 S ATOM 0 H CYS A 11 -3.937 -2.308 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.721 -0.450 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.925 1.087 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.763 1.664 -0.648 1.00 0.00 H new ATOM 169 N LYS A 12 -5.991 1.328 0.628 1.00 0.00 N ATOM 170 CA LYS A 12 -7.207 1.840 1.250 1.00 0.00 C ATOM 171 C LYS A 12 -8.332 1.924 0.224 1.00 0.00 C ATOM 172 O LYS A 12 -8.894 2.998 0.009 1.00 0.00 O ATOM 173 CB LYS A 12 -6.958 3.225 1.850 1.00 0.00 C ATOM 174 CG LYS A 12 -6.134 3.215 3.126 1.00 0.00 C ATOM 175 CD LYS A 12 -5.865 4.627 3.644 1.00 0.00 C ATOM 176 CE LYS A 12 -7.145 5.367 4.026 1.00 0.00 C ATOM 177 NZ LYS A 12 -7.867 5.916 2.839 1.00 0.00 N ATOM 0 H LYS A 12 -5.315 2.050 0.380 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.498 1.154 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.451 3.843 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.919 3.697 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.657 2.642 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.186 2.710 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.209 4.572 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.336 5.196 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.805 4.688 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.900 6.182 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.107 6.913 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.258 5.845 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.739 5.372 2.681 1.00 0.00 H new ATOM 191 N ARG A 13 -8.632 0.791 -0.410 1.00 0.00 N ATOM 192 CA ARG A 13 -9.671 0.711 -1.435 1.00 0.00 C ATOM 193 C ARG A 13 -9.253 1.521 -2.663 1.00 0.00 C ATOM 194 O ARG A 13 -9.993 2.369 -3.155 1.00 0.00 O ATOM 195 CB ARG A 13 -11.025 1.196 -0.890 1.00 0.00 C ATOM 196 CG ARG A 13 -12.199 0.917 -1.816 1.00 0.00 C ATOM 197 CD ARG A 13 -13.475 1.578 -1.317 1.00 0.00 C ATOM 198 NE ARG A 13 -13.902 1.053 -0.018 1.00 0.00 N ATOM 199 CZ ARG A 13 -14.968 1.494 0.650 1.00 0.00 C ATOM 200 NH1 ARG A 13 -15.703 2.483 0.150 1.00 0.00 N ATOM 201 NH2 ARG A 13 -15.296 0.950 1.818 1.00 0.00 N ATOM 0 H ARG A 13 -8.162 -0.096 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.791 -0.332 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.211 0.717 0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.968 2.269 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.968 1.280 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.353 -0.159 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.317 2.654 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.270 1.426 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.350 0.304 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.451 2.904 -0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.519 2.821 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.732 0.194 2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.112 1.289 2.327 1.00 0.00 H new ATOM 215 N GLY A 14 -8.049 1.249 -3.148 1.00 0.00 N ATOM 216 CA GLY A 14 -7.541 1.955 -4.304 1.00 0.00 C ATOM 217 C GLY A 14 -6.421 1.198 -4.984 1.00 0.00 C ATOM 218 O GLY A 14 -6.548 0.001 -5.249 1.00 0.00 O ATOM 0 H GLY A 14 -7.415 0.551 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.352 2.118 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.181 2.938 -3.999 1.00 0.00 H new ATOM 222 N GLY A 15 -5.327 1.890 -5.268 1.00 0.00 N ATOM 223 CA GLY A 15 -4.199 1.260 -5.926 1.00 0.00 C ATOM 224 C GLY A 15 -2.957 2.127 -5.900 1.00 0.00 C ATOM 225 O GLY A 15 -2.478 2.575 -6.942 1.00 0.00 O ATOM 0 H GLY A 15 -5.200 2.879 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.984 0.308 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.463 1.038 -6.960 1.00 0.00 H new ATOM 229 N ARG A 16 -2.430 2.369 -4.708 1.00 0.00 N ATOM 230 CA ARG A 16 -1.231 3.183 -4.548 1.00 0.00 C ATOM 231 C ARG A 16 -0.106 2.360 -3.936 1.00 0.00 C ATOM 232 O ARG A 16 0.682 2.856 -3.127 1.00 0.00 O ATOM 233 CB ARG A 16 -1.522 4.416 -3.687 1.00 0.00 C ATOM 234 CG ARG A 16 -2.375 5.473 -4.381 1.00 0.00 C ATOM 235 CD ARG A 16 -1.657 6.094 -5.575 1.00 0.00 C ATOM 236 NE ARG A 16 -1.532 5.161 -6.698 1.00 0.00 N ATOM 237 CZ ARG A 16 -0.861 5.415 -7.820 1.00 0.00 C ATOM 238 NH1 ARG A 16 -0.232 6.576 -7.977 1.00 0.00 N ATOM 239 NH2 ARG A 16 -0.817 4.500 -8.782 1.00 0.00 N ATOM 0 H ARG A 16 -2.815 2.012 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.915 3.522 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.027 4.098 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.576 4.867 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.310 5.023 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.635 6.255 -3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.200 6.981 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.665 6.424 -5.268 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.991 4.254 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.262 7.277 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.281 6.766 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.296 3.608 -8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.304 4.690 -9.643 1.00 0.00 H new ATOM 253 N VAL A 17 -0.042 1.099 -4.336 1.00 0.00 N ATOM 254 CA VAL A 17 0.978 0.187 -3.847 1.00 0.00 C ATOM 255 C VAL A 17 2.338 0.529 -4.450 1.00 0.00 C ATOM 256 O VAL A 17 2.446 0.816 -5.643 1.00 0.00 O ATOM 257 CB VAL A 17 0.606 -1.285 -4.155 1.00 0.00 C ATOM 258 CG1 VAL A 17 0.353 -1.491 -5.642 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.682 -2.239 -3.658 1.00 0.00 C ATOM 0 H VAL A 17 -0.691 0.682 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 17 1.038 0.302 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.318 -1.507 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.094 -2.534 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.469 -0.851 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.252 -1.236 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.393 -3.265 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.627 -2.009 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.797 -2.128 -2.580 1.00 0.00 H new ATOM 269 N ARG A 18 3.367 0.507 -3.620 1.00 0.00 N ATOM 270 CA ARG A 18 4.713 0.813 -4.071 1.00 0.00 C ATOM 271 C ARG A 18 5.666 -0.324 -3.738 1.00 0.00 C ATOM 272 O ARG A 18 6.844 -0.278 -4.086 1.00 0.00 O ATOM 273 CB ARG A 18 5.216 2.117 -3.449 1.00 0.00 C ATOM 274 CG ARG A 18 4.699 3.363 -4.150 1.00 0.00 C ATOM 275 CD ARG A 18 5.342 4.624 -3.590 1.00 0.00 C ATOM 276 NE ARG A 18 6.808 4.542 -3.567 1.00 0.00 N ATOM 277 CZ ARG A 18 7.584 4.514 -4.657 1.00 0.00 C ATOM 278 NH1 ARG A 18 7.046 4.619 -5.870 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.901 4.395 -4.529 1.00 0.00 N ATOM 0 H ARG A 18 3.295 0.280 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 18 4.680 0.936 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.917 2.149 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.306 2.124 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.904 3.292 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.617 3.424 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.038 5.481 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.975 4.798 -2.579 1.00 0.00 H new ATOM 0 HE ARG A 18 7.267 4.504 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.036 4.722 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.643 4.597 -6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.319 4.325 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.494 4.373 -5.359 1.00 0.00 H new ATOM 293 N GLY A 19 5.151 -1.346 -3.067 1.00 0.00 N ATOM 294 CA GLY A 19 5.981 -2.478 -2.711 1.00 0.00 C ATOM 295 C GLY A 19 5.203 -3.561 -2.001 1.00 0.00 C ATOM 296 O GLY A 19 4.009 -3.411 -1.749 1.00 0.00 O ATOM 0 H GLY A 19 4.179 -1.411 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.434 -2.891 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.796 -2.141 -2.071 1.00 0.00 H new ATOM 300 N THR A 20 5.873 -4.650 -1.673 1.00 0.00 N ATOM 301 CA THR A 20 5.239 -5.754 -0.979 1.00 0.00 C ATOM 302 C THR A 20 5.459 -5.638 0.525 1.00 0.00 C ATOM 303 O THR A 20 6.545 -5.281 0.978 1.00 0.00 O ATOM 304 CB THR A 20 5.769 -7.107 -1.482 1.00 0.00 C ATOM 305 OG1 THR A 20 7.184 -7.023 -1.704 1.00 0.00 O ATOM 306 CG2 THR A 20 5.070 -7.521 -2.769 1.00 0.00 C ATOM 0 H THR A 20 6.862 -4.793 -1.878 1.00 0.00 H new ATOM 0 HA THR A 20 4.170 -5.705 -1.188 1.00 0.00 H new ATOM 0 HB THR A 20 5.563 -7.860 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.517 -7.888 -2.023 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.463 -8.481 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.999 -7.610 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.247 -6.769 -3.537 1.00 0.00 H new ATOM 314 N CYS A 21 4.428 -5.937 1.295 1.00 0.00 N ATOM 315 CA CYS A 21 4.514 -5.865 2.746 1.00 0.00 C ATOM 316 C CYS A 21 4.616 -7.273 3.330 1.00 0.00 C ATOM 317 O CYS A 21 3.901 -7.636 4.261 1.00 0.00 O ATOM 318 CB CYS A 21 3.301 -5.124 3.313 1.00 0.00 C ATOM 319 SG CYS A 21 3.384 -4.803 5.104 1.00 0.00 S ATOM 0 H CYS A 21 3.519 -6.233 0.940 1.00 0.00 H new ATOM 0 HA CYS A 21 5.409 -5.310 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.195 -4.173 2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.404 -5.706 3.102 1.00 0.00 H new ATOM 324 N GLY A 22 5.506 -8.070 2.765 1.00 0.00 N ATOM 325 CA GLY A 22 5.679 -9.427 3.231 1.00 0.00 C ATOM 326 C GLY A 22 4.838 -10.415 2.449 1.00 0.00 C ATOM 327 O GLY A 22 4.736 -10.318 1.223 1.00 0.00 O ATOM 0 H GLY A 22 6.113 -7.801 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.730 -9.705 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.414 -9.483 4.287 1.00 0.00 H new ATOM 331 N ILE A 23 4.242 -11.370 3.146 1.00 0.00 N ATOM 332 CA ILE A 23 3.421 -12.384 2.500 1.00 0.00 C ATOM 333 C ILE A 23 1.950 -11.968 2.416 1.00 0.00 C ATOM 334 O ILE A 23 1.290 -11.740 3.430 1.00 0.00 O ATOM 335 CB ILE A 23 3.550 -13.753 3.217 1.00 0.00 C ATOM 336 CG1 ILE A 23 2.603 -14.784 2.589 1.00 0.00 C ATOM 337 CG2 ILE A 23 3.288 -13.614 4.713 1.00 0.00 C ATOM 338 CD1 ILE A 23 2.724 -16.170 3.189 1.00 0.00 C ATOM 0 H ILE A 23 4.311 -11.465 4.159 1.00 0.00 H new ATOM 0 HA ILE A 23 3.796 -12.486 1.482 1.00 0.00 H new ATOM 0 HB ILE A 23 4.573 -14.107 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.576 -14.437 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.803 -14.843 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.385 -14.589 5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.011 -12.923 5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.280 -13.230 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.024 -16.843 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.741 -16.539 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.495 -16.127 4.254 1.00 0.00 H new ATOM 350 N ARG A 24 1.450 -11.892 1.182 1.00 0.00 N ATOM 351 CA ARG A 24 0.056 -11.530 0.903 1.00 0.00 C ATOM 352 C ARG A 24 -0.331 -10.178 1.505 1.00 0.00 C ATOM 353 O ARG A 24 -1.455 -10.001 1.972 1.00 0.00 O ATOM 354 CB ARG A 24 -0.897 -12.622 1.407 1.00 0.00 C ATOM 355 CG ARG A 24 -0.710 -13.967 0.719 1.00 0.00 C ATOM 356 CD ARG A 24 -0.974 -13.874 -0.778 1.00 0.00 C ATOM 357 NE ARG A 24 -0.775 -15.157 -1.461 1.00 0.00 N ATOM 358 CZ ARG A 24 -1.582 -16.217 -1.333 1.00 0.00 C ATOM 359 NH1 ARG A 24 -2.684 -16.139 -0.590 1.00 0.00 N ATOM 360 NH2 ARG A 24 -1.293 -17.350 -1.965 1.00 0.00 N ATOM 0 H ARG A 24 2.000 -12.080 0.344 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.034 -11.441 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.753 -12.750 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.925 -12.290 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.306 -14.324 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.384 -14.700 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.996 -13.532 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.312 -13.126 -1.215 1.00 0.00 H new ATOM 0 HE ARG A 24 0.034 -15.247 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.918 -15.268 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.295 -16.951 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.457 -17.411 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.907 -18.159 -1.868 1.00 0.00 H new ATOM 374 N PHE A 25 0.591 -9.228 1.466 1.00 0.00 N ATOM 375 CA PHE A 25 0.344 -7.887 1.983 1.00 0.00 C ATOM 376 C PHE A 25 0.927 -6.854 1.029 1.00 0.00 C ATOM 377 O PHE A 25 2.023 -7.042 0.495 1.00 0.00 O ATOM 378 CB PHE A 25 0.952 -7.702 3.377 1.00 0.00 C ATOM 379 CG PHE A 25 0.032 -8.053 4.514 1.00 0.00 C ATOM 380 CD1 PHE A 25 -0.170 -9.371 4.892 1.00 0.00 C ATOM 381 CD2 PHE A 25 -0.633 -7.054 5.206 1.00 0.00 C ATOM 382 CE1 PHE A 25 -1.017 -9.683 5.937 1.00 0.00 C ATOM 383 CE2 PHE A 25 -1.481 -7.361 6.252 1.00 0.00 C ATOM 384 CZ PHE A 25 -1.673 -8.677 6.618 1.00 0.00 C ATOM 0 H PHE A 25 1.525 -9.361 1.079 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.734 -7.750 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.850 -8.315 3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.265 -6.664 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.341 -10.163 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.486 -6.022 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.166 -10.714 6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.993 -6.572 6.783 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.335 -8.920 7.436 1.00 0.00 H new ATOM 394 N LEU A 26 0.196 -5.774 0.806 1.00 0.00 N ATOM 395 CA LEU A 26 0.646 -4.725 -0.096 1.00 0.00 C ATOM 396 C LEU A 26 1.103 -3.492 0.673 1.00 0.00 C ATOM 397 O LEU A 26 0.418 -3.019 1.582 1.00 0.00 O ATOM 398 CB LEU A 26 -0.463 -4.333 -1.083 1.00 0.00 C ATOM 399 CG LEU A 26 -0.770 -5.352 -2.191 1.00 0.00 C ATOM 400 CD1 LEU A 26 -1.518 -6.558 -1.643 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.566 -4.691 -3.304 1.00 0.00 C ATOM 0 H LEU A 26 -0.712 -5.600 1.237 1.00 0.00 H new ATOM 0 HA LEU A 26 1.493 -5.123 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.378 -4.154 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.187 -3.388 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 26 0.178 -5.707 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.720 -7.260 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.911 -7.047 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.460 -6.232 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.778 -5.423 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.504 -4.307 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.988 -3.868 -3.726 1.00 0.00 H new ATOM 413 N TYR A 27 2.251 -2.964 0.283 1.00 0.00 N ATOM 414 CA TYR A 27 2.798 -1.770 0.902 1.00 0.00 C ATOM 415 C TYR A 27 2.439 -0.572 0.031 1.00 0.00 C ATOM 416 O TYR A 27 3.052 -0.346 -1.021 1.00 0.00 O ATOM 417 CB TYR A 27 4.316 -1.901 1.055 1.00 0.00 C ATOM 418 CG TYR A 27 4.942 -0.869 1.966 1.00 0.00 C ATOM 419 CD1 TYR A 27 4.420 -0.619 3.229 1.00 0.00 C ATOM 420 CD2 TYR A 27 6.062 -0.152 1.565 1.00 0.00 C ATOM 421 CE1 TYR A 27 4.995 0.317 4.066 1.00 0.00 C ATOM 422 CE2 TYR A 27 6.643 0.786 2.395 1.00 0.00 C ATOM 423 CZ TYR A 27 6.107 1.017 3.644 1.00 0.00 C ATOM 424 OH TYR A 27 6.681 1.952 4.473 1.00 0.00 O ATOM 0 H TYR A 27 2.826 -3.348 -0.467 1.00 0.00 H new ATOM 0 HA TYR A 27 2.377 -1.635 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.546 -2.895 1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.776 -1.826 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.550 -1.166 3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.485 -0.331 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.577 0.500 5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.513 1.336 2.067 1.00 0.00 H new ATOM 0 HH TYR A 27 7.455 2.354 4.026 1.00 0.00 H new ATOM 434 N CYS A 28 1.420 0.163 0.450 1.00 0.00 N ATOM 435 CA CYS A 28 0.939 1.311 -0.304 1.00 0.00 C ATOM 436 C CYS A 28 1.350 2.624 0.344 1.00 0.00 C ATOM 437 O CYS A 28 1.323 2.760 1.563 1.00 0.00 O ATOM 438 CB CYS A 28 -0.582 1.259 -0.410 1.00 0.00 C ATOM 439 SG CYS A 28 -1.236 -0.293 -1.099 1.00 0.00 S ATOM 0 H CYS A 28 0.907 -0.017 1.313 1.00 0.00 H new ATOM 0 HA CYS A 28 1.388 1.265 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.008 1.410 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.919 2.089 -1.032 1.00 0.00 H new ATOM 444 N CYS A 29 1.702 3.594 -0.479 1.00 0.00 N ATOM 445 CA CYS A 29 2.088 4.906 0.011 1.00 0.00 C ATOM 446 C CYS A 29 0.994 5.918 -0.310 1.00 0.00 C ATOM 447 O CYS A 29 0.338 5.816 -1.346 1.00 0.00 O ATOM 448 CB CYS A 29 3.425 5.328 -0.597 1.00 0.00 C ATOM 449 SG CYS A 29 4.797 4.195 -0.195 1.00 0.00 S ATOM 0 H CYS A 29 1.729 3.498 -1.494 1.00 0.00 H new ATOM 0 HA CYS A 29 2.212 4.864 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.320 5.388 -1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.676 6.329 -0.245 1.00 0.00 H new ATOM 454 N PRO A 30 0.759 6.884 0.593 1.00 0.00 N ATOM 455 CA PRO A 30 -0.288 7.903 0.423 1.00 0.00 C ATOM 456 C PRO A 30 -0.187 8.669 -0.895 1.00 0.00 C ATOM 457 O PRO A 30 -1.168 8.776 -1.630 1.00 0.00 O ATOM 458 CB PRO A 30 -0.060 8.844 1.605 1.00 0.00 C ATOM 459 CG PRO A 30 0.605 8.000 2.633 1.00 0.00 C ATOM 460 CD PRO A 30 1.474 7.042 1.873 1.00 0.00 C ATOM 0 HA PRO A 30 -1.279 7.449 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.565 9.691 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.001 9.251 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.198 8.609 3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.130 7.467 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.479 7.438 1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.579 6.091 2.396 1.00 0.00 H new ATOM 468 N ARG A 31 0.994 9.199 -1.195 1.00 0.00 N ATOM 469 CA ARG A 31 1.190 9.948 -2.430 1.00 0.00 C ATOM 470 C ARG A 31 2.670 10.186 -2.703 1.00 0.00 C ATOM 471 O ARG A 31 3.153 9.901 -3.799 1.00 0.00 O ATOM 472 CB ARG A 31 0.454 11.292 -2.364 1.00 0.00 C ATOM 473 CG ARG A 31 0.535 12.105 -3.648 1.00 0.00 C ATOM 474 CD ARG A 31 -0.043 11.343 -4.833 1.00 0.00 C ATOM 475 NE ARG A 31 -0.014 12.131 -6.068 1.00 0.00 N ATOM 476 CZ ARG A 31 -0.814 13.174 -6.319 1.00 0.00 C ATOM 477 NH1 ARG A 31 -1.754 13.524 -5.445 1.00 0.00 N ATOM 478 NH2 ARG A 31 -0.684 13.854 -7.455 1.00 0.00 N ATOM 0 H ARG A 31 1.823 9.125 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 31 0.780 9.353 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.594 11.109 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.868 11.882 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.005 13.043 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.575 12.361 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.520 10.421 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.071 11.056 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 31 0.662 11.867 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.867 12.997 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.361 14.320 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.025 13.580 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.294 14.649 -7.646 1.00 0.00 H new ATOM 492 N ARG A 32 3.377 10.710 -1.708 1.00 0.00 N ATOM 493 CA ARG A 32 4.798 10.991 -1.839 1.00 0.00 C ATOM 494 C ARG A 32 5.372 11.400 -0.491 1.00 0.00 C ATOM 495 O ARG A 32 4.683 11.210 0.534 1.00 0.00 O ATOM 496 CB ARG A 32 5.049 12.106 -2.863 1.00 0.00 C ATOM 497 CG ARG A 32 4.460 13.450 -2.466 1.00 0.00 C ATOM 498 CD ARG A 32 4.839 14.539 -3.456 1.00 0.00 C ATOM 499 NE ARG A 32 4.313 15.846 -3.062 1.00 0.00 N ATOM 500 CZ ARG A 32 4.504 16.969 -3.757 1.00 0.00 C ATOM 501 NH1 ARG A 32 5.219 16.946 -4.878 1.00 0.00 N ATOM 502 NH2 ARG A 32 3.984 18.115 -3.326 1.00 0.00 N ATOM 503 OXT ARG A 32 6.505 11.915 -0.460 1.00 0.00 O ATOM 0 H ARG A 32 2.984 10.949 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 32 5.291 10.084 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.124 12.219 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.629 11.806 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.374 13.370 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.812 13.723 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.925 14.594 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.460 14.279 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 32 3.766 15.902 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.622 16.069 -5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.364 17.805 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.439 18.136 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.130 18.973 -3.857 1.00 0.00 H new TER 517 ARG A 32