USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 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+ -118:sc= 1.27 (180deg=0.17) USER MOD Single : A 5 TYR OH : rot -169:sc= 1.86 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -0.0222 (180deg=-0.21) USER MOD Single : A 10 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.025) USER MOD Single : A 12 LYS NZ :NH3+ -104:sc= 0.431 (180deg=-0.895) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 27 TYR OH : rot -62:sc= 0.409 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.670 9.933 1.696 1.00 0.00 N ATOM 2 CA GLY A 1 3.562 9.057 2.493 1.00 0.00 C ATOM 3 C GLY A 1 5.008 9.242 2.103 1.00 0.00 C ATOM 4 O GLY A 1 5.303 9.467 0.934 1.00 0.00 O ATOM 0 H1 GLY A 1 2.177 10.594 2.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.235 10.469 1.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.971 9.350 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.439 9.278 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.275 8.015 2.349 1.00 0.00 H new ATOM 10 N LEU A 2 5.902 9.168 3.083 1.00 0.00 N ATOM 11 CA LEU A 2 7.332 9.342 2.838 1.00 0.00 C ATOM 12 C LEU A 2 7.902 8.150 2.076 1.00 0.00 C ATOM 13 O LEU A 2 8.782 8.299 1.233 1.00 0.00 O ATOM 14 CB LEU A 2 8.071 9.517 4.168 1.00 0.00 C ATOM 15 CG LEU A 2 9.569 9.807 4.053 1.00 0.00 C ATOM 16 CD1 LEU A 2 9.807 11.137 3.355 1.00 0.00 C ATOM 17 CD2 LEU A 2 10.218 9.799 5.428 1.00 0.00 C ATOM 0 H LEU A 2 5.662 8.988 4.058 1.00 0.00 H new ATOM 0 HA LEU A 2 7.471 10.235 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.602 10.331 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.938 8.612 4.760 1.00 0.00 H new ATOM 0 HG LEU A 2 10.026 9.021 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.878 11.324 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.377 11.105 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.336 11.937 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.283 10.007 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.756 10.563 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.081 8.821 5.889 1.00 0.00 H new ATOM 29 N LEU A 3 7.389 6.971 2.385 1.00 0.00 N ATOM 30 CA LEU A 3 7.838 5.746 1.745 1.00 0.00 C ATOM 31 C LEU A 3 6.657 4.801 1.567 1.00 0.00 C ATOM 32 O LEU A 3 5.626 4.957 2.228 1.00 0.00 O ATOM 33 CB LEU A 3 8.932 5.081 2.591 1.00 0.00 C ATOM 34 CG LEU A 3 9.612 3.864 1.959 1.00 0.00 C ATOM 35 CD1 LEU A 3 10.368 4.263 0.701 1.00 0.00 C ATOM 36 CD2 LEU A 3 10.548 3.200 2.958 1.00 0.00 C ATOM 0 H LEU A 3 6.655 6.836 3.081 1.00 0.00 H new ATOM 0 HA LEU A 3 8.254 5.982 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.696 5.826 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.495 4.777 3.542 1.00 0.00 H new ATOM 0 HG LEU A 3 8.840 3.147 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.844 3.383 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.673 4.692 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.130 5.000 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.023 2.336 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.313 3.912 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.979 2.875 3.829 1.00 0.00 H new ATOM 48 N CYS A 4 6.805 3.831 0.677 1.00 0.00 N ATOM 49 CA CYS A 4 5.748 2.866 0.418 1.00 0.00 C ATOM 50 C CYS A 4 5.860 1.697 1.391 1.00 0.00 C ATOM 51 O CYS A 4 6.958 1.310 1.793 1.00 0.00 O ATOM 52 CB CYS A 4 5.814 2.351 -1.023 1.00 0.00 C ATOM 53 SG CYS A 4 5.324 3.552 -2.315 1.00 0.00 S ATOM 0 H CYS A 4 7.649 3.692 0.121 1.00 0.00 H new ATOM 0 HA CYS A 4 4.790 3.365 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.833 2.022 -1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.173 1.473 -1.106 1.00 0.00 H new ATOM 58 N TYR A 5 4.718 1.148 1.767 1.00 0.00 N ATOM 59 CA TYR A 5 4.652 0.041 2.686 1.00 0.00 C ATOM 60 C TYR A 5 4.135 -1.201 1.980 1.00 0.00 C ATOM 61 O TYR A 5 3.490 -1.120 0.932 1.00 0.00 O ATOM 62 CB TYR A 5 3.724 0.390 3.858 1.00 0.00 C ATOM 63 CG TYR A 5 2.282 0.602 3.438 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.408 -0.471 3.296 1.00 0.00 C ATOM 65 CD2 TYR A 5 1.805 1.873 3.156 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.105 -0.280 2.883 1.00 0.00 C ATOM 67 CE2 TYR A 5 0.501 2.071 2.749 1.00 0.00 C ATOM 68 CZ TYR A 5 -0.342 0.992 2.612 1.00 0.00 C ATOM 69 OH TYR A 5 -1.635 1.187 2.197 1.00 0.00 O ATOM 0 H TYR A 5 3.807 1.466 1.436 1.00 0.00 H new ATOM 0 HA TYR A 5 5.655 -0.158 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.766 -0.410 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.090 1.294 4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.755 -1.471 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.465 2.722 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.559 -1.124 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.144 3.068 2.539 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.741 2.108 1.878 1.00 0.00 H new ATOM 79 N CYS A 6 4.403 -2.329 2.584 1.00 0.00 N ATOM 80 CA CYS A 6 3.955 -3.612 2.074 1.00 0.00 C ATOM 81 C CYS A 6 2.670 -4.008 2.793 1.00 0.00 C ATOM 82 O CYS A 6 2.552 -3.807 4.006 1.00 0.00 O ATOM 83 CB CYS A 6 5.039 -4.669 2.293 1.00 0.00 C ATOM 84 SG CYS A 6 4.579 -6.346 1.757 1.00 0.00 S ATOM 0 H CYS A 6 4.941 -2.391 3.449 1.00 0.00 H new ATOM 0 HA CYS A 6 3.762 -3.538 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.939 -4.364 1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.292 -4.697 3.353 1.00 0.00 H new ATOM 89 N ARG A 7 1.703 -4.554 2.069 1.00 0.00 N ATOM 90 CA ARG A 7 0.452 -4.951 2.680 1.00 0.00 C ATOM 91 C ARG A 7 -0.164 -6.113 1.934 1.00 0.00 C ATOM 92 O ARG A 7 -0.002 -6.249 0.730 1.00 0.00 O ATOM 93 CB ARG A 7 -0.537 -3.791 2.734 1.00 0.00 C ATOM 94 CG ARG A 7 -1.683 -4.036 3.702 1.00 0.00 C ATOM 95 CD ARG A 7 -1.200 -4.051 5.146 1.00 0.00 C ATOM 96 NE ARG A 7 -0.513 -2.809 5.511 1.00 0.00 N ATOM 97 CZ ARG A 7 0.030 -2.578 6.708 1.00 0.00 C ATOM 98 NH1 ARG A 7 -0.038 -3.500 7.664 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.641 -1.421 6.949 1.00 0.00 N ATOM 0 H ARG A 7 1.764 -4.729 1.066 1.00 0.00 H new ATOM 0 HA ARG A 7 0.674 -5.260 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.009 -2.883 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.941 -3.618 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.438 -3.260 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.162 -4.987 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.050 -4.203 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.526 -4.895 5.293 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.446 -2.075 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.507 -4.388 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.378 -3.319 8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.694 -0.711 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.056 -1.244 7.864 1.00 0.00 H new ATOM 113 N LYS A 8 -0.870 -6.946 2.664 1.00 0.00 N ATOM 114 CA LYS A 8 -1.518 -8.109 2.084 1.00 0.00 C ATOM 115 C LYS A 8 -2.915 -7.773 1.578 1.00 0.00 C ATOM 116 O LYS A 8 -3.642 -6.991 2.193 1.00 0.00 O ATOM 117 CB LYS A 8 -1.562 -9.267 3.097 1.00 0.00 C ATOM 118 CG LYS A 8 -2.065 -8.884 4.487 1.00 0.00 C ATOM 119 CD LYS A 8 -3.585 -8.930 4.587 1.00 0.00 C ATOM 120 CE LYS A 8 -4.123 -10.343 4.414 1.00 0.00 C ATOM 121 NZ LYS A 8 -3.654 -11.257 5.493 1.00 0.00 N ATOM 0 H LYS A 8 -1.013 -6.842 3.669 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.927 -8.427 1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.201 -10.055 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.560 -9.687 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.634 -9.560 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.717 -7.880 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.897 -8.539 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.019 -8.281 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.213 -10.318 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.809 -10.734 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.196 -12.144 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.644 -11.463 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.794 -10.803 6.418 1.00 0.00 H new ATOM 135 N GLY A 9 -3.282 -8.371 0.458 1.00 0.00 N ATOM 136 CA GLY A 9 -4.589 -8.144 -0.119 1.00 0.00 C ATOM 137 C GLY A 9 -4.643 -6.946 -1.038 1.00 0.00 C ATOM 138 O GLY A 9 -4.992 -7.080 -2.209 1.00 0.00 O ATOM 0 H GLY A 9 -2.692 -9.016 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.891 -9.032 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.313 -8.009 0.684 1.00 0.00 H new ATOM 142 N HIS A 10 -4.303 -5.779 -0.509 1.00 0.00 N ATOM 143 CA HIS A 10 -4.319 -4.540 -1.291 1.00 0.00 C ATOM 144 C HIS A 10 -3.884 -3.339 -0.455 1.00 0.00 C ATOM 145 O HIS A 10 -3.579 -3.470 0.731 1.00 0.00 O ATOM 146 CB HIS A 10 -5.719 -4.273 -1.881 1.00 0.00 C ATOM 147 CG HIS A 10 -6.827 -4.149 -0.865 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.147 -3.957 -1.220 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.811 -4.193 0.491 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.889 -3.888 -0.130 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.104 -4.029 0.919 1.00 0.00 N ATOM 0 H HIS A 10 -4.011 -5.659 0.461 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.606 -4.673 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.680 -3.355 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.967 -5.081 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.942 -4.331 1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.959 -3.741 -0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.409 -4.018 1.892 1.00 0.00 H new ATOM 160 N CYS A 11 -3.881 -2.177 -1.094 1.00 0.00 N ATOM 161 CA CYS A 11 -3.506 -0.917 -0.456 1.00 0.00 C ATOM 162 C CYS A 11 -4.593 -0.435 0.492 1.00 0.00 C ATOM 163 O CYS A 11 -5.722 -0.944 0.475 1.00 0.00 O ATOM 164 CB CYS A 11 -3.306 0.154 -1.528 1.00 0.00 C ATOM 165 SG CYS A 11 -2.245 -0.368 -2.914 1.00 0.00 S ATOM 0 H CYS A 11 -4.140 -2.079 -2.076 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.588 -1.087 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.280 0.446 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.870 1.039 -1.065 1.00 0.00 H new ATOM 170 N LYS A 12 -4.264 0.581 1.278 1.00 0.00 N ATOM 171 CA LYS A 12 -5.218 1.185 2.191 1.00 0.00 C ATOM 172 C LYS A 12 -6.276 1.910 1.366 1.00 0.00 C ATOM 173 O LYS A 12 -5.979 2.400 0.275 1.00 0.00 O ATOM 174 CB LYS A 12 -4.498 2.159 3.131 1.00 0.00 C ATOM 175 CG LYS A 12 -5.415 3.058 3.946 1.00 0.00 C ATOM 176 CD LYS A 12 -4.624 4.161 4.632 1.00 0.00 C ATOM 177 CE LYS A 12 -5.536 5.170 5.308 1.00 0.00 C ATOM 178 NZ LYS A 12 -4.775 6.327 5.848 1.00 0.00 N ATOM 0 H LYS A 12 -3.336 1.005 1.300 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.695 0.420 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.873 1.585 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.831 2.786 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.171 3.498 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.943 2.465 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.955 3.722 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.998 4.670 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.278 5.525 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.080 4.683 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.691 6.236 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.825 6.346 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.275 7.209 5.618 1.00 0.00 H new ATOM 192 N ARG A 13 -7.503 1.958 1.866 1.00 0.00 N ATOM 193 CA ARG A 13 -8.589 2.616 1.152 1.00 0.00 C ATOM 194 C ARG A 13 -8.271 4.092 0.923 1.00 0.00 C ATOM 195 O ARG A 13 -8.451 4.918 1.818 1.00 0.00 O ATOM 196 CB ARG A 13 -9.903 2.478 1.931 1.00 0.00 C ATOM 197 CG ARG A 13 -11.093 3.140 1.250 1.00 0.00 C ATOM 198 CD ARG A 13 -12.312 3.181 2.162 1.00 0.00 C ATOM 199 NE ARG A 13 -12.809 1.843 2.492 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.860 1.613 3.284 1.00 0.00 C ATOM 201 NH1 ARG A 13 -14.516 2.632 3.833 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.253 0.366 3.524 1.00 0.00 N ATOM 0 H ARG A 13 -7.771 1.550 2.762 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.700 2.130 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.121 1.420 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.775 2.914 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.825 4.154 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.339 2.597 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.057 3.708 3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.105 3.751 1.678 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.324 1.039 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.217 3.590 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.318 2.456 4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.752 -0.417 3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.056 0.192 4.129 1.00 0.00 H new ATOM 216 N GLY A 14 -7.796 4.408 -0.274 1.00 0.00 N ATOM 217 CA GLY A 14 -7.461 5.776 -0.598 1.00 0.00 C ATOM 218 C GLY A 14 -5.994 5.964 -0.938 1.00 0.00 C ATOM 219 O GLY A 14 -5.616 7.007 -1.476 1.00 0.00 O ATOM 0 H GLY A 14 -7.637 3.738 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.068 6.103 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.717 6.416 0.246 1.00 0.00 H new ATOM 223 N ASP A 15 -5.162 4.969 -0.626 1.00 0.00 N ATOM 224 CA ASP A 15 -3.729 5.060 -0.898 1.00 0.00 C ATOM 225 C ASP A 15 -3.425 4.915 -2.384 1.00 0.00 C ATOM 226 O ASP A 15 -4.317 5.035 -3.229 1.00 0.00 O ATOM 227 CB ASP A 15 -2.967 4.012 -0.085 1.00 0.00 C ATOM 228 CG ASP A 15 -2.688 4.483 1.327 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.057 5.631 1.663 1.00 0.00 O ATOM 230 OD2 ASP A 15 -2.083 3.717 2.099 1.00 0.00 O ATOM 0 H ASP A 15 -5.455 4.096 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.396 6.052 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.545 3.088 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.025 3.781 -0.583 1.00 0.00 H new ATOM 235 N ARG A 16 -2.164 4.675 -2.720 1.00 0.00 N ATOM 236 CA ARG A 16 -1.790 4.540 -4.118 1.00 0.00 C ATOM 237 C ARG A 16 -0.832 3.376 -4.327 1.00 0.00 C ATOM 238 O ARG A 16 0.206 3.280 -3.668 1.00 0.00 O ATOM 239 CB ARG A 16 -1.175 5.849 -4.623 1.00 0.00 C ATOM 240 CG ARG A 16 -1.119 5.969 -6.140 1.00 0.00 C ATOM 241 CD ARG A 16 -2.469 5.684 -6.796 1.00 0.00 C ATOM 242 NE ARG A 16 -3.605 6.106 -5.967 1.00 0.00 N ATOM 243 CZ ARG A 16 -4.872 6.123 -6.384 1.00 0.00 C ATOM 244 NH1 ARG A 16 -5.163 5.847 -7.652 1.00 0.00 N ATOM 245 NH2 ARG A 16 -5.847 6.420 -5.530 1.00 0.00 N ATOM 0 H ARG A 16 -1.397 4.572 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.691 4.327 -4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.750 6.685 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.164 5.940 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.791 6.973 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.375 5.275 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.516 6.196 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.551 4.616 -7.000 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.413 6.405 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.416 5.621 -8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.133 5.861 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.626 6.634 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.816 6.433 -5.847 1.00 0.00 H new ATOM 259 N VAL A 17 -1.209 2.495 -5.244 1.00 0.00 N ATOM 260 CA VAL A 17 -0.422 1.313 -5.568 1.00 0.00 C ATOM 261 C VAL A 17 0.866 1.688 -6.292 1.00 0.00 C ATOM 262 O VAL A 17 0.883 2.600 -7.120 1.00 0.00 O ATOM 263 CB VAL A 17 -1.215 0.339 -6.472 1.00 0.00 C ATOM 264 CG1 VAL A 17 -0.610 -1.058 -6.426 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.689 0.305 -6.094 1.00 0.00 C ATOM 0 H VAL A 17 -2.070 2.580 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.187 0.828 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.145 0.707 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.184 -1.725 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.422 -1.019 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.634 -1.431 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.217 -0.389 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.792 -0.023 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.116 1.302 -6.203 1.00 0.00 H new ATOM 275 N ARG A 18 1.930 0.962 -5.992 1.00 0.00 N ATOM 276 CA ARG A 18 3.217 1.186 -6.629 1.00 0.00 C ATOM 277 C ARG A 18 3.670 -0.075 -7.342 1.00 0.00 C ATOM 278 O ARG A 18 4.235 -0.016 -8.432 1.00 0.00 O ATOM 279 CB ARG A 18 4.267 1.635 -5.615 1.00 0.00 C ATOM 280 CG ARG A 18 4.234 3.126 -5.331 1.00 0.00 C ATOM 281 CD ARG A 18 4.471 3.935 -6.594 1.00 0.00 C ATOM 282 NE ARG A 18 4.709 5.350 -6.310 1.00 0.00 N ATOM 283 CZ ARG A 18 4.885 6.277 -7.253 1.00 0.00 C ATOM 284 NH1 ARG A 18 4.807 5.944 -8.538 1.00 0.00 N ATOM 285 NH2 ARG A 18 5.134 7.538 -6.911 1.00 0.00 N ATOM 0 H ARG A 18 1.927 0.207 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 18 3.101 1.985 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.116 1.092 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.256 1.365 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.269 3.395 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.994 3.374 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.327 3.525 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.607 3.839 -7.252 1.00 0.00 H new ATOM 0 HE ARG A 18 4.742 5.645 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.612 4.979 -8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.942 6.654 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.191 7.798 -5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.268 8.245 -7.634 1.00 0.00 H new ATOM 299 N GLY A 19 3.406 -1.212 -6.723 1.00 0.00 N ATOM 300 CA GLY A 19 3.780 -2.479 -7.315 1.00 0.00 C ATOM 301 C GLY A 19 3.417 -3.653 -6.434 1.00 0.00 C ATOM 302 O GLY A 19 2.552 -3.541 -5.566 1.00 0.00 O ATOM 0 H GLY A 19 2.938 -1.282 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.286 -2.586 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.854 -2.487 -7.503 1.00 0.00 H new ATOM 306 N THR A 20 4.081 -4.775 -6.648 1.00 0.00 N ATOM 307 CA THR A 20 3.837 -5.975 -5.869 1.00 0.00 C ATOM 308 C THR A 20 4.888 -6.134 -4.779 1.00 0.00 C ATOM 309 O THR A 20 6.027 -5.700 -4.940 1.00 0.00 O ATOM 310 CB THR A 20 3.835 -7.222 -6.769 1.00 0.00 C ATOM 311 OG1 THR A 20 4.932 -7.156 -7.689 1.00 0.00 O ATOM 312 CG2 THR A 20 2.525 -7.337 -7.535 1.00 0.00 C ATOM 0 H THR A 20 4.801 -4.880 -7.363 1.00 0.00 H new ATOM 0 HA THR A 20 2.856 -5.874 -5.404 1.00 0.00 H new ATOM 0 HB THR A 20 3.941 -8.104 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.929 -7.953 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.548 -8.227 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.697 -7.413 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.390 -6.454 -8.160 1.00 0.00 H new ATOM 320 N CYS A 21 4.505 -6.751 -3.673 1.00 0.00 N ATOM 321 CA CYS A 21 5.426 -6.961 -2.565 1.00 0.00 C ATOM 322 C CYS A 21 5.810 -8.430 -2.464 1.00 0.00 C ATOM 323 O CYS A 21 6.984 -8.773 -2.357 1.00 0.00 O ATOM 324 CB CYS A 21 4.788 -6.493 -1.260 1.00 0.00 C ATOM 325 SG CYS A 21 5.838 -6.716 0.211 1.00 0.00 S ATOM 0 H CYS A 21 3.565 -7.115 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 21 6.329 -6.379 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.532 -5.437 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.854 -7.035 -1.111 1.00 0.00 H new ATOM 330 N GLY A 22 4.807 -9.294 -2.505 1.00 0.00 N ATOM 331 CA GLY A 22 5.056 -10.717 -2.420 1.00 0.00 C ATOM 332 C GLY A 22 3.811 -11.529 -2.684 1.00 0.00 C ATOM 333 O GLY A 22 2.910 -11.076 -3.393 1.00 0.00 O ATOM 0 H GLY A 22 3.825 -9.035 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.827 -10.993 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.442 -10.958 -1.430 1.00 0.00 H new ATOM 337 N ILE A 23 3.763 -12.726 -2.109 1.00 0.00 N ATOM 338 CA ILE A 23 2.626 -13.629 -2.273 1.00 0.00 C ATOM 339 C ILE A 23 1.332 -13.007 -1.753 1.00 0.00 C ATOM 340 O ILE A 23 1.016 -13.090 -0.569 1.00 0.00 O ATOM 341 CB ILE A 23 2.873 -14.987 -1.575 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.443 -14.781 -0.165 1.00 0.00 C ATOM 343 CG2 ILE A 23 3.811 -15.844 -2.415 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.611 -16.066 0.619 1.00 0.00 C ATOM 0 H ILE A 23 4.507 -13.098 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 23 2.519 -13.803 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 23 1.919 -15.505 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.410 -14.285 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.785 -14.112 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.978 -16.798 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.364 -16.021 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.763 -15.327 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.018 -15.840 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.643 -16.554 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.293 -16.730 0.088 1.00 0.00 H new ATOM 356 N ARG A 24 0.603 -12.370 -2.666 1.00 0.00 N ATOM 357 CA ARG A 24 -0.656 -11.695 -2.360 1.00 0.00 C ATOM 358 C ARG A 24 -0.417 -10.443 -1.516 1.00 0.00 C ATOM 359 O ARG A 24 -1.283 -10.023 -0.743 1.00 0.00 O ATOM 360 CB ARG A 24 -1.649 -12.636 -1.663 1.00 0.00 C ATOM 361 CG ARG A 24 -2.023 -13.853 -2.494 1.00 0.00 C ATOM 362 CD ARG A 24 -3.116 -14.677 -1.828 1.00 0.00 C ATOM 363 NE ARG A 24 -4.393 -13.955 -1.755 1.00 0.00 N ATOM 364 CZ ARG A 24 -5.158 -13.663 -2.814 1.00 0.00 C ATOM 365 NH1 ARG A 24 -4.811 -14.076 -4.031 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.283 -12.972 -2.650 1.00 0.00 N ATOM 0 H ARG A 24 0.872 -12.307 -3.648 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.098 -11.390 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.218 -12.970 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.555 -12.080 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.360 -13.531 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.141 -14.475 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.257 -15.605 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.799 -14.952 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.719 -13.656 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.957 -14.619 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.399 -13.850 -4.833 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.562 -12.665 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.867 -12.749 -3.456 1.00 0.00 H new ATOM 380 N PHE A 25 0.748 -9.829 -1.704 1.00 0.00 N ATOM 381 CA PHE A 25 1.093 -8.600 -1.004 1.00 0.00 C ATOM 382 C PHE A 25 1.380 -7.522 -2.030 1.00 0.00 C ATOM 383 O PHE A 25 2.037 -7.779 -3.042 1.00 0.00 O ATOM 384 CB PHE A 25 2.315 -8.757 -0.089 1.00 0.00 C ATOM 385 CG PHE A 25 2.070 -9.510 1.193 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.571 -10.800 1.183 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.352 -8.918 2.414 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.357 -11.486 2.363 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.139 -9.597 3.598 1.00 0.00 C ATOM 390 CZ PHE A 25 1.641 -10.884 3.572 1.00 0.00 C ATOM 0 H PHE A 25 1.471 -10.167 -2.339 1.00 0.00 H new ATOM 0 HA PHE A 25 0.247 -8.334 -0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.101 -9.267 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.692 -7.765 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.346 -11.277 0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.744 -7.912 2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.968 -12.493 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.362 -9.122 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.474 -11.419 4.495 1.00 0.00 H new ATOM 400 N LEU A 26 0.893 -6.331 -1.772 1.00 0.00 N ATOM 401 CA LEU A 26 1.092 -5.211 -2.672 1.00 0.00 C ATOM 402 C LEU A 26 1.930 -4.136 -2.007 1.00 0.00 C ATOM 403 O LEU A 26 1.899 -3.970 -0.785 1.00 0.00 O ATOM 404 CB LEU A 26 -0.245 -4.608 -3.123 1.00 0.00 C ATOM 405 CG LEU A 26 -1.079 -5.458 -4.092 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.727 -6.637 -3.381 1.00 0.00 C ATOM 407 CD2 LEU A 26 -2.137 -4.599 -4.768 1.00 0.00 C ATOM 0 H LEU A 26 0.350 -6.108 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 26 1.615 -5.589 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.847 -4.409 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.045 -3.646 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.407 -5.857 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.310 -7.218 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.953 -7.269 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.383 -6.270 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.722 -5.213 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.795 -4.171 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.653 -3.796 -5.324 1.00 0.00 H new ATOM 419 N TYR A 27 2.661 -3.403 -2.822 1.00 0.00 N ATOM 420 CA TYR A 27 3.493 -2.318 -2.345 1.00 0.00 C ATOM 421 C TYR A 27 2.797 -1.009 -2.692 1.00 0.00 C ATOM 422 O TYR A 27 2.580 -0.713 -3.873 1.00 0.00 O ATOM 423 CB TYR A 27 4.878 -2.388 -2.999 1.00 0.00 C ATOM 424 CG TYR A 27 5.974 -1.735 -2.189 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.132 -2.028 -0.841 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.852 -0.831 -2.771 1.00 0.00 C ATOM 427 CE1 TYR A 27 7.132 -1.438 -0.094 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.857 -0.236 -2.030 1.00 0.00 C ATOM 429 CZ TYR A 27 7.991 -0.543 -0.693 1.00 0.00 C ATOM 430 OH TYR A 27 8.983 0.052 0.051 1.00 0.00 O ATOM 0 H TYR A 27 2.695 -3.543 -3.832 1.00 0.00 H new ATOM 0 HA TYR A 27 3.634 -2.389 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.137 -3.433 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.831 -1.911 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.461 -2.730 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.749 -0.589 -3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.240 -1.677 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.533 0.465 -2.496 1.00 0.00 H new ATOM 0 HH TYR A 27 8.579 0.584 0.768 1.00 0.00 H new ATOM 440 N CYS A 28 2.409 -0.248 -1.676 1.00 0.00 N ATOM 441 CA CYS A 28 1.692 1.000 -1.903 1.00 0.00 C ATOM 442 C CYS A 28 2.199 2.115 -1.008 1.00 0.00 C ATOM 443 O CYS A 28 2.808 1.872 0.029 1.00 0.00 O ATOM 444 CB CYS A 28 0.203 0.821 -1.625 1.00 0.00 C ATOM 445 SG CYS A 28 -0.468 -0.815 -2.052 1.00 0.00 S ATOM 0 H CYS A 28 2.577 -0.471 -0.695 1.00 0.00 H new ATOM 0 HA CYS A 28 1.860 1.268 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.022 1.006 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.349 1.579 -2.180 1.00 0.00 H new ATOM 450 N CYS A 29 1.897 3.338 -1.401 1.00 0.00 N ATOM 451 CA CYS A 29 2.269 4.511 -0.629 1.00 0.00 C ATOM 452 C CYS A 29 1.028 5.204 -0.081 1.00 0.00 C ATOM 453 O CYS A 29 0.052 5.429 -0.815 1.00 0.00 O ATOM 454 CB CYS A 29 3.100 5.494 -1.461 1.00 0.00 C ATOM 455 SG CYS A 29 4.909 5.275 -1.327 1.00 0.00 S ATOM 0 H CYS A 29 1.389 3.547 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 29 2.885 4.174 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.813 5.395 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.848 6.510 -1.156 1.00 0.00 H new ATOM 460 N PRO A 30 1.046 5.529 1.225 1.00 0.00 N ATOM 461 CA PRO A 30 -0.072 6.184 1.907 1.00 0.00 C ATOM 462 C PRO A 30 -0.359 7.582 1.373 1.00 0.00 C ATOM 463 O PRO A 30 0.554 8.400 1.209 1.00 0.00 O ATOM 464 CB PRO A 30 0.379 6.281 3.370 1.00 0.00 C ATOM 465 CG PRO A 30 1.531 5.347 3.501 1.00 0.00 C ATOM 466 CD PRO A 30 2.161 5.252 2.141 1.00 0.00 C ATOM 0 HA PRO A 30 -0.993 5.619 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.671 7.300 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.429 6.004 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.247 5.715 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.199 4.367 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.968 5.975 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.589 4.265 1.965 1.00 0.00 H new ATOM 474 N ARG A 31 -1.627 7.858 1.127 1.00 0.00 N ATOM 475 CA ARG A 31 -2.049 9.162 0.642 1.00 0.00 C ATOM 476 C ARG A 31 -2.407 10.060 1.817 1.00 0.00 C ATOM 477 O ARG A 31 -1.971 11.212 1.891 1.00 0.00 O ATOM 478 CB ARG A 31 -3.242 9.028 -0.304 1.00 0.00 C ATOM 479 CG ARG A 31 -2.881 8.437 -1.655 1.00 0.00 C ATOM 480 CD ARG A 31 -2.020 9.390 -2.466 1.00 0.00 C ATOM 481 NE ARG A 31 -2.716 10.648 -2.750 1.00 0.00 N ATOM 482 CZ ARG A 31 -2.182 11.658 -3.437 1.00 0.00 C ATOM 483 NH1 ARG A 31 -0.943 11.563 -3.909 1.00 0.00 N ATOM 484 NH2 ARG A 31 -2.887 12.766 -3.649 1.00 0.00 N ATOM 0 H ARG A 31 -2.388 7.192 1.256 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.224 9.610 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.000 8.402 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.689 10.011 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.349 7.496 -1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.792 8.207 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.099 9.599 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.735 8.913 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.668 10.758 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.399 10.716 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.537 12.337 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.837 12.843 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.478 13.538 -4.175 1.00 0.00 H new ATOM 498 N ARG A 32 -3.191 9.510 2.733 1.00 0.00 N ATOM 499 CA ARG A 32 -3.621 10.221 3.923 1.00 0.00 C ATOM 500 C ARG A 32 -4.277 9.237 4.878 1.00 0.00 C ATOM 501 O ARG A 32 -3.934 9.238 6.073 1.00 0.00 O ATOM 502 CB ARG A 32 -4.606 11.339 3.564 1.00 0.00 C ATOM 503 CG ARG A 32 -5.059 12.166 4.758 1.00 0.00 C ATOM 504 CD ARG A 32 -3.886 12.856 5.437 1.00 0.00 C ATOM 505 NE ARG A 32 -3.165 13.743 4.522 1.00 0.00 N ATOM 506 CZ ARG A 32 -2.128 14.501 4.879 1.00 0.00 C ATOM 507 NH1 ARG A 32 -1.680 14.471 6.131 1.00 0.00 N ATOM 508 NH2 ARG A 32 -1.535 15.283 3.981 1.00 0.00 N ATOM 509 OXT ARG A 32 -5.116 8.441 4.412 1.00 0.00 O ATOM 0 H ARG A 32 -3.546 8.556 2.670 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.752 10.676 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.140 11.999 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.481 10.899 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.782 12.913 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.568 11.522 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.248 13.431 6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.200 12.104 5.828 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.475 13.783 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.130 13.868 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.887 15.051 6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.874 15.303 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.742 15.863 4.254 1.00 0.00 H new TER 523 ARG A 32