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+ -113:sc= 1.68 (180deg=-1.77!) USER MOD Single : A 5 TYR OH : rot -78:sc= 1.21 USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= -1.05 (180deg=-3.29!) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.249 F(o=-1.6,f=-0.25) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.258 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.566 10.035 2.768 1.00 0.00 N ATOM 2 CA GLY A 1 1.858 9.896 3.479 1.00 0.00 C ATOM 3 C GLY A 1 2.961 9.447 2.545 1.00 0.00 C ATOM 4 O GLY A 1 2.769 8.529 1.757 1.00 0.00 O ATOM 0 H1 GLY A 1 0.289 11.037 2.743 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.665 9.679 1.796 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.165 9.486 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.129 10.850 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.752 9.176 4.291 1.00 0.00 H new ATOM 10 N LEU A 2 4.111 10.105 2.626 1.00 0.00 N ATOM 11 CA LEU A 2 5.251 9.779 1.770 1.00 0.00 C ATOM 12 C LEU A 2 5.772 8.369 2.035 1.00 0.00 C ATOM 13 O LEU A 2 6.298 7.718 1.139 1.00 0.00 O ATOM 14 CB LEU A 2 6.377 10.795 1.978 1.00 0.00 C ATOM 15 CG LEU A 2 6.032 12.237 1.594 1.00 0.00 C ATOM 16 CD1 LEU A 2 7.197 13.165 1.901 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.660 12.322 0.120 1.00 0.00 C ATOM 0 H LEU A 2 4.282 10.871 3.278 1.00 0.00 H new ATOM 0 HA LEU A 2 4.908 9.822 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.673 10.776 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.243 10.478 1.397 1.00 0.00 H new ATOM 0 HG LEU A 2 5.174 12.554 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.933 14.185 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.421 13.127 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.073 12.849 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.418 13.354 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.500 11.986 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.795 11.688 -0.074 1.00 0.00 H new ATOM 29 N LEU A 3 5.630 7.913 3.271 1.00 0.00 N ATOM 30 CA LEU A 3 6.096 6.584 3.650 1.00 0.00 C ATOM 31 C LEU A 3 5.248 5.498 2.994 1.00 0.00 C ATOM 32 O LEU A 3 4.053 5.376 3.269 1.00 0.00 O ATOM 33 CB LEU A 3 6.072 6.406 5.175 1.00 0.00 C ATOM 34 CG LEU A 3 7.116 7.209 5.963 1.00 0.00 C ATOM 35 CD1 LEU A 3 6.764 8.690 6.000 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.247 6.661 7.375 1.00 0.00 C ATOM 0 H LEU A 3 5.197 8.441 4.028 1.00 0.00 H new ATOM 0 HA LEU A 3 7.124 6.487 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.082 6.681 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.211 5.348 5.400 1.00 0.00 H new ATOM 0 HG LEU A 3 8.074 7.106 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.523 9.230 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.723 9.080 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.793 8.821 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.991 7.240 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.286 6.732 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.559 5.617 7.333 1.00 0.00 H new ATOM 48 N CYS A 4 5.882 4.709 2.141 1.00 0.00 N ATOM 49 CA CYS A 4 5.216 3.616 1.450 1.00 0.00 C ATOM 50 C CYS A 4 5.319 2.347 2.286 1.00 0.00 C ATOM 51 O CYS A 4 6.212 2.230 3.126 1.00 0.00 O ATOM 52 CB CYS A 4 5.852 3.386 0.079 1.00 0.00 C ATOM 53 SG CYS A 4 5.896 4.860 -0.990 1.00 0.00 S ATOM 0 H CYS A 4 6.870 4.808 1.909 1.00 0.00 H new ATOM 0 HA CYS A 4 4.167 3.875 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.871 3.025 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.303 2.597 -0.434 1.00 0.00 H new ATOM 58 N TYR A 5 4.423 1.391 2.065 1.00 0.00 N ATOM 59 CA TYR A 5 4.462 0.155 2.817 1.00 0.00 C ATOM 60 C TYR A 5 3.828 -0.998 2.053 1.00 0.00 C ATOM 61 O TYR A 5 3.040 -0.808 1.119 1.00 0.00 O ATOM 62 CB TYR A 5 3.811 0.322 4.202 1.00 0.00 C ATOM 63 CG TYR A 5 2.361 0.774 4.196 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.338 -0.074 3.779 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.016 2.042 4.643 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.018 0.336 3.801 1.00 0.00 C ATOM 67 CE2 TYR A 5 0.697 2.456 4.673 1.00 0.00 C ATOM 68 CZ TYR A 5 -0.296 1.601 4.251 1.00 0.00 C ATOM 69 OH TYR A 5 -1.610 2.013 4.283 1.00 0.00 O ATOM 0 H TYR A 5 3.671 1.452 1.378 1.00 0.00 H new ATOM 0 HA TYR A 5 5.513 -0.093 2.965 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.874 -0.629 4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.395 1.043 4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.580 -1.068 3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.792 2.717 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.763 -0.331 3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.447 3.446 5.026 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.898 2.258 3.379 1.00 0.00 H new ATOM 79 N CYS A 6 4.206 -2.187 2.472 1.00 0.00 N ATOM 80 CA CYS A 6 3.731 -3.433 1.895 1.00 0.00 C ATOM 81 C CYS A 6 2.459 -3.886 2.607 1.00 0.00 C ATOM 82 O CYS A 6 2.346 -3.735 3.824 1.00 0.00 O ATOM 83 CB CYS A 6 4.826 -4.493 2.035 1.00 0.00 C ATOM 84 SG CYS A 6 4.326 -6.178 1.570 1.00 0.00 S ATOM 0 H CYS A 6 4.865 -2.320 3.239 1.00 0.00 H new ATOM 0 HA CYS A 6 3.500 -3.287 0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.676 -4.199 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.170 -4.504 3.069 1.00 0.00 H new ATOM 89 N ARG A 7 1.504 -4.433 1.863 1.00 0.00 N ATOM 90 CA ARG A 7 0.264 -4.891 2.468 1.00 0.00 C ATOM 91 C ARG A 7 -0.344 -6.042 1.678 1.00 0.00 C ATOM 92 O ARG A 7 -0.423 -5.997 0.450 1.00 0.00 O ATOM 93 CB ARG A 7 -0.740 -3.738 2.587 1.00 0.00 C ATOM 94 CG ARG A 7 -1.957 -4.091 3.427 1.00 0.00 C ATOM 95 CD ARG A 7 -2.812 -2.869 3.727 1.00 0.00 C ATOM 96 NE ARG A 7 -3.913 -3.190 4.642 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.007 -3.874 4.293 1.00 0.00 C ATOM 98 NH1 ARG A 7 -5.217 -4.204 3.024 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.906 -4.206 5.215 1.00 0.00 N ATOM 0 H ARG A 7 1.565 -4.568 0.854 1.00 0.00 H new ATOM 0 HA ARG A 7 0.499 -5.254 3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.241 -2.874 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.067 -3.445 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.557 -4.834 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.633 -4.546 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.190 -2.088 4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.216 -2.470 2.797 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.839 -2.870 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.541 -3.935 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.054 -4.726 2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.761 -3.939 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.741 -4.728 4.949 1.00 0.00 H new ATOM 113 N LYS A 8 -0.767 -7.071 2.397 1.00 0.00 N ATOM 114 CA LYS A 8 -1.373 -8.243 1.784 1.00 0.00 C ATOM 115 C LYS A 8 -2.815 -7.955 1.378 1.00 0.00 C ATOM 116 O LYS A 8 -3.569 -7.328 2.127 1.00 0.00 O ATOM 117 CB LYS A 8 -1.330 -9.435 2.751 1.00 0.00 C ATOM 118 CG LYS A 8 -1.889 -10.725 2.162 1.00 0.00 C ATOM 119 CD LYS A 8 -1.740 -11.912 3.110 1.00 0.00 C ATOM 120 CE LYS A 8 -2.771 -11.898 4.233 1.00 0.00 C ATOM 121 NZ LYS A 8 -2.491 -10.850 5.254 1.00 0.00 N ATOM 0 H LYS A 8 -0.701 -7.117 3.414 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.802 -8.492 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.298 -9.604 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.893 -9.183 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.943 -10.585 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.377 -10.945 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.837 -12.839 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.739 -11.905 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.762 -11.732 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.790 -12.875 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.653 -11.240 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.502 -10.539 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.123 -10.038 5.101 1.00 0.00 H new ATOM 135 N GLY A 9 -3.190 -8.427 0.199 1.00 0.00 N ATOM 136 CA GLY A 9 -4.536 -8.235 -0.295 1.00 0.00 C ATOM 137 C GLY A 9 -4.675 -7.020 -1.182 1.00 0.00 C ATOM 138 O GLY A 9 -4.984 -7.145 -2.368 1.00 0.00 O ATOM 0 H GLY A 9 -2.577 -8.946 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.842 -9.121 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.217 -8.140 0.551 1.00 0.00 H new ATOM 142 N HIS A 10 -4.447 -5.850 -0.608 1.00 0.00 N ATOM 143 CA HIS A 10 -4.546 -4.588 -1.339 1.00 0.00 C ATOM 144 C HIS A 10 -4.148 -3.418 -0.452 1.00 0.00 C ATOM 145 O HIS A 10 -3.901 -3.588 0.742 1.00 0.00 O ATOM 146 CB HIS A 10 -5.971 -4.363 -1.860 1.00 0.00 C ATOM 147 CG HIS A 10 -6.096 -4.452 -3.352 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.163 -4.680 -4.308 1.00 0.00 N flip ATOM 149 CD2 HIS A 10 -7.293 -4.296 -4.019 1.00 0.00 C flip ATOM 150 CE1 HIS A 10 -5.808 -4.658 -5.519 1.00 0.00 C flip ATOM 151 NE2 HIS A 10 -7.092 -4.426 -5.318 1.00 0.00 N flip ATOM 0 H HIS A 10 -4.189 -5.744 0.373 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.863 -4.648 -2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.634 -5.100 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.315 -3.381 -1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.246 -4.098 -3.552 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.341 -4.807 -6.481 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.807 -4.359 -6.042 1.00 0.00 H new ATOM 160 N CYS A 11 -4.102 -2.236 -1.051 1.00 0.00 N ATOM 161 CA CYS A 11 -3.750 -1.009 -0.347 1.00 0.00 C ATOM 162 C CYS A 11 -4.911 -0.536 0.525 1.00 0.00 C ATOM 163 O CYS A 11 -6.041 -1.012 0.382 1.00 0.00 O ATOM 164 CB CYS A 11 -3.408 0.082 -1.363 1.00 0.00 C ATOM 165 SG CYS A 11 -2.358 -0.483 -2.746 1.00 0.00 S ATOM 0 H CYS A 11 -4.308 -2.100 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.889 -1.210 0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.335 0.489 -1.768 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.901 0.897 -0.847 1.00 0.00 H new ATOM 170 N LYS A 12 -4.638 0.423 1.398 1.00 0.00 N ATOM 171 CA LYS A 12 -5.663 0.991 2.260 1.00 0.00 C ATOM 172 C LYS A 12 -6.423 2.073 1.504 1.00 0.00 C ATOM 173 O LYS A 12 -5.942 2.579 0.490 1.00 0.00 O ATOM 174 CB LYS A 12 -5.035 1.582 3.524 1.00 0.00 C ATOM 175 CG LYS A 12 -4.727 0.558 4.605 1.00 0.00 C ATOM 176 CD LYS A 12 -5.897 0.398 5.565 1.00 0.00 C ATOM 177 CE LYS A 12 -6.161 1.688 6.330 1.00 0.00 C ATOM 178 NZ LYS A 12 -7.329 1.569 7.247 1.00 0.00 N ATOM 0 H LYS A 12 -3.710 0.825 1.528 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.353 0.200 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.113 2.095 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.709 2.334 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.498 -0.403 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.840 0.866 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.790 0.112 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.687 -0.408 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.275 1.955 6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.338 2.498 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.471 2.470 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.181 1.340 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.151 0.814 7.939 1.00 0.00 H new ATOM 192 N ARG A 13 -7.601 2.434 1.995 1.00 0.00 N ATOM 193 CA ARG A 13 -8.393 3.471 1.350 1.00 0.00 C ATOM 194 C ARG A 13 -7.637 4.794 1.417 1.00 0.00 C ATOM 195 O ARG A 13 -7.475 5.375 2.493 1.00 0.00 O ATOM 196 CB ARG A 13 -9.764 3.604 2.020 1.00 0.00 C ATOM 197 CG ARG A 13 -10.692 4.597 1.332 1.00 0.00 C ATOM 198 CD ARG A 13 -11.008 4.173 -0.097 1.00 0.00 C ATOM 199 NE ARG A 13 -11.896 5.121 -0.779 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.190 5.293 -0.485 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.774 4.550 0.453 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.905 6.200 -1.145 1.00 0.00 N ATOM 0 H ARG A 13 -8.025 2.029 2.829 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.556 3.198 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.245 2.626 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.623 3.911 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.618 4.683 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.229 5.584 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.079 4.081 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.473 3.187 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.500 5.688 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.234 3.844 0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.761 4.687 0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.467 6.763 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.892 6.332 -0.922 1.00 0.00 H new ATOM 216 N GLY A 14 -7.152 5.244 0.272 1.00 0.00 N ATOM 217 CA GLY A 14 -6.392 6.472 0.223 1.00 0.00 C ATOM 218 C GLY A 14 -4.994 6.241 -0.308 1.00 0.00 C ATOM 219 O GLY A 14 -4.317 7.180 -0.731 1.00 0.00 O ATOM 0 H GLY A 14 -7.272 4.778 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.907 7.195 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.336 6.906 1.221 1.00 0.00 H new ATOM 223 N ASP A 15 -4.557 4.986 -0.282 1.00 0.00 N ATOM 224 CA ASP A 15 -3.235 4.628 -0.760 1.00 0.00 C ATOM 225 C ASP A 15 -3.237 4.542 -2.277 1.00 0.00 C ATOM 226 O ASP A 15 -4.286 4.619 -2.917 1.00 0.00 O ATOM 227 CB ASP A 15 -2.789 3.275 -0.201 1.00 0.00 C ATOM 228 CG ASP A 15 -2.834 3.171 1.312 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.265 4.133 1.985 1.00 0.00 O ATOM 230 OD2 ASP A 15 -2.450 2.103 1.832 1.00 0.00 O ATOM 0 H ASP A 15 -5.105 4.200 0.067 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.544 5.400 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.422 2.495 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.771 3.076 -0.536 1.00 0.00 H new ATOM 235 N ARG A 16 -2.060 4.359 -2.841 1.00 0.00 N ATOM 236 CA ARG A 16 -1.909 4.233 -4.280 1.00 0.00 C ATOM 237 C ARG A 16 -0.983 3.064 -4.578 1.00 0.00 C ATOM 238 O ARG A 16 0.124 2.990 -4.036 1.00 0.00 O ATOM 239 CB ARG A 16 -1.348 5.523 -4.890 1.00 0.00 C ATOM 240 CG ARG A 16 -2.137 6.771 -4.519 1.00 0.00 C ATOM 241 CD ARG A 16 -1.631 7.997 -5.262 1.00 0.00 C ATOM 242 NE ARG A 16 -1.985 7.965 -6.683 1.00 0.00 N ATOM 243 CZ ARG A 16 -1.634 8.908 -7.561 1.00 0.00 C ATOM 244 NH1 ARG A 16 -0.884 9.936 -7.175 1.00 0.00 N ATOM 245 NH2 ARG A 16 -2.033 8.818 -8.828 1.00 0.00 N ATOM 0 H ARG A 16 -1.185 4.294 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.887 4.054 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.315 5.648 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.332 5.424 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.191 6.616 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.065 6.941 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.048 8.895 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.548 8.061 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.533 7.174 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.575 10.006 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.618 10.654 -7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.606 8.029 -9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.765 9.538 -9.499 1.00 0.00 H new ATOM 259 N VAL A 17 -1.444 2.147 -5.415 1.00 0.00 N ATOM 260 CA VAL A 17 -0.667 0.966 -5.767 1.00 0.00 C ATOM 261 C VAL A 17 0.602 1.351 -6.518 1.00 0.00 C ATOM 262 O VAL A 17 0.579 2.209 -7.406 1.00 0.00 O ATOM 263 CB VAL A 17 -1.485 -0.013 -6.641 1.00 0.00 C ATOM 264 CG1 VAL A 17 -0.780 -1.357 -6.758 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.892 -0.189 -6.090 1.00 0.00 C ATOM 0 H VAL A 17 -2.358 2.198 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.404 0.473 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.564 0.416 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.376 -2.028 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.200 -1.215 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.659 -1.792 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.446 -0.882 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.839 -0.586 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.400 0.775 -6.076 1.00 0.00 H new ATOM 275 N ARG A 18 1.706 0.717 -6.162 1.00 0.00 N ATOM 276 CA ARG A 18 2.977 0.987 -6.807 1.00 0.00 C ATOM 277 C ARG A 18 3.506 -0.257 -7.491 1.00 0.00 C ATOM 278 O ARG A 18 4.041 -0.185 -8.595 1.00 0.00 O ATOM 279 CB ARG A 18 3.994 1.533 -5.807 1.00 0.00 C ATOM 280 CG ARG A 18 3.720 2.968 -5.380 1.00 0.00 C ATOM 281 CD ARG A 18 3.919 3.954 -6.527 1.00 0.00 C ATOM 282 NE ARG A 18 2.911 3.800 -7.580 1.00 0.00 N ATOM 283 CZ ARG A 18 2.952 4.428 -8.753 1.00 0.00 C ATOM 284 NH1 ARG A 18 3.953 5.259 -9.033 1.00 0.00 N ATOM 285 NH2 ARG A 18 1.993 4.219 -9.650 1.00 0.00 N ATOM 0 H ARG A 18 1.747 0.010 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 18 2.814 1.750 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.000 0.895 -4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.990 1.478 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.699 3.047 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.381 3.233 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.881 4.972 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.912 3.813 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 18 2.128 3.171 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.692 5.416 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.981 5.739 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.228 3.579 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.023 4.699 -10.549 1.00 0.00 H new ATOM 299 N GLY A 19 3.339 -1.393 -6.843 1.00 0.00 N ATOM 300 CA GLY A 19 3.796 -2.636 -7.425 1.00 0.00 C ATOM 301 C GLY A 19 3.498 -3.830 -6.549 1.00 0.00 C ATOM 302 O GLY A 19 2.631 -3.770 -5.680 1.00 0.00 O ATOM 0 H GLY A 19 2.897 -1.480 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.321 -2.775 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.870 -2.578 -7.601 1.00 0.00 H new ATOM 306 N THR A 20 4.221 -4.913 -6.772 1.00 0.00 N ATOM 307 CA THR A 20 4.042 -6.127 -6.000 1.00 0.00 C ATOM 308 C THR A 20 5.040 -6.196 -4.853 1.00 0.00 C ATOM 309 O THR A 20 6.131 -5.638 -4.936 1.00 0.00 O ATOM 310 CB THR A 20 4.192 -7.372 -6.894 1.00 0.00 C ATOM 311 OG1 THR A 20 5.316 -7.207 -7.769 1.00 0.00 O ATOM 312 CG2 THR A 20 2.932 -7.607 -7.712 1.00 0.00 C ATOM 0 H THR A 20 4.944 -4.975 -7.489 1.00 0.00 H new ATOM 0 HA THR A 20 3.034 -6.108 -5.587 1.00 0.00 H new ATOM 0 HB THR A 20 4.352 -8.239 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.409 -8.002 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.063 -8.492 -8.335 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.086 -7.757 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.743 -6.741 -8.346 1.00 0.00 H new ATOM 320 N CYS A 21 4.657 -6.872 -3.783 1.00 0.00 N ATOM 321 CA CYS A 21 5.519 -7.005 -2.622 1.00 0.00 C ATOM 322 C CYS A 21 5.921 -8.457 -2.423 1.00 0.00 C ATOM 323 O CYS A 21 7.095 -8.774 -2.242 1.00 0.00 O ATOM 324 CB CYS A 21 4.792 -6.486 -1.389 1.00 0.00 C ATOM 325 SG CYS A 21 5.695 -6.704 0.173 1.00 0.00 S ATOM 0 H CYS A 21 3.754 -7.337 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 21 6.424 -6.418 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.583 -5.425 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.830 -6.993 -1.311 1.00 0.00 H new ATOM 330 N GLY A 22 4.937 -9.339 -2.468 1.00 0.00 N ATOM 331 CA GLY A 22 5.201 -10.751 -2.297 1.00 0.00 C ATOM 332 C GLY A 22 3.981 -11.594 -2.580 1.00 0.00 C ATOM 333 O GLY A 22 3.097 -11.177 -3.329 1.00 0.00 O ATOM 0 H GLY A 22 3.957 -9.102 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.011 -11.051 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.540 -10.935 -1.278 1.00 0.00 H new ATOM 337 N ILE A 23 3.933 -12.774 -1.972 1.00 0.00 N ATOM 338 CA ILE A 23 2.816 -13.698 -2.148 1.00 0.00 C ATOM 339 C ILE A 23 1.501 -13.088 -1.661 1.00 0.00 C ATOM 340 O ILE A 23 1.152 -13.184 -0.487 1.00 0.00 O ATOM 341 CB ILE A 23 3.071 -15.043 -1.429 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.611 -14.813 -0.011 1.00 0.00 C ATOM 343 CG2 ILE A 23 4.036 -15.896 -2.242 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.799 -16.087 0.786 1.00 0.00 C ATOM 0 H ILE A 23 4.662 -13.117 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 23 2.733 -13.890 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 23 2.123 -15.574 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.566 -14.292 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.926 -14.157 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.209 -16.841 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.609 -16.092 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.982 -15.367 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.183 -15.843 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.842 -16.599 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.507 -16.737 0.272 1.00 0.00 H new ATOM 356 N ARG A 24 0.798 -12.447 -2.592 1.00 0.00 N ATOM 357 CA ARG A 24 -0.476 -11.781 -2.324 1.00 0.00 C ATOM 358 C ARG A 24 -0.267 -10.479 -1.554 1.00 0.00 C ATOM 359 O ARG A 24 -1.189 -9.977 -0.911 1.00 0.00 O ATOM 360 CB ARG A 24 -1.449 -12.698 -1.566 1.00 0.00 C ATOM 361 CG ARG A 24 -1.866 -13.936 -2.347 1.00 0.00 C ATOM 362 CD ARG A 24 -2.661 -13.575 -3.593 1.00 0.00 C ATOM 363 NE ARG A 24 -3.911 -12.883 -3.269 1.00 0.00 N ATOM 364 CZ ARG A 24 -4.807 -12.491 -4.179 1.00 0.00 C ATOM 365 NH1 ARG A 24 -4.591 -12.720 -5.472 1.00 0.00 N ATOM 366 NH2 ARG A 24 -5.919 -11.871 -3.795 1.00 0.00 N ATOM 0 H ARG A 24 1.099 -12.374 -3.564 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.921 -11.544 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.984 -13.010 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.341 -12.128 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.979 -14.502 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.466 -14.584 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.053 -12.941 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.884 -14.482 -4.155 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.109 -12.688 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.740 -13.196 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.277 -12.420 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.088 -11.694 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.602 -11.572 -4.491 1.00 0.00 H new ATOM 380 N PHE A 25 0.930 -9.908 -1.660 1.00 0.00 N ATOM 381 CA PHE A 25 1.228 -8.637 -1.010 1.00 0.00 C ATOM 382 C PHE A 25 1.518 -7.603 -2.076 1.00 0.00 C ATOM 383 O PHE A 25 2.228 -7.889 -3.045 1.00 0.00 O ATOM 384 CB PHE A 25 2.437 -8.711 -0.066 1.00 0.00 C ATOM 385 CG PHE A 25 2.255 -9.542 1.174 1.00 0.00 C ATOM 386 CD1 PHE A 25 2.066 -10.910 1.099 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.303 -8.947 2.425 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.920 -11.669 2.244 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.161 -9.700 3.574 1.00 0.00 C ATOM 390 CZ PHE A 25 1.968 -11.064 3.483 1.00 0.00 C ATOM 0 H PHE A 25 1.707 -10.305 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 25 0.358 -8.372 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.285 -9.108 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.700 -7.697 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.032 -11.391 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.453 -7.880 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.768 -12.736 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.201 -9.223 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.855 -11.656 4.379 1.00 0.00 H new ATOM 400 N LEU A 26 0.991 -6.412 -1.903 1.00 0.00 N ATOM 401 CA LEU A 26 1.213 -5.346 -2.857 1.00 0.00 C ATOM 402 C LEU A 26 1.939 -4.190 -2.195 1.00 0.00 C ATOM 403 O LEU A 26 1.735 -3.908 -1.013 1.00 0.00 O ATOM 404 CB LEU A 26 -0.101 -4.848 -3.468 1.00 0.00 C ATOM 405 CG LEU A 26 -0.858 -5.860 -4.338 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.670 -6.821 -3.481 1.00 0.00 C ATOM 407 CD2 LEU A 26 -1.758 -5.137 -5.329 1.00 0.00 C ATOM 0 H LEU A 26 0.404 -6.156 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 26 1.828 -5.751 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.758 -4.529 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.112 -3.966 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.125 -6.445 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.196 -7.527 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.003 -7.366 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.394 -6.259 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.288 -5.868 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.479 -4.525 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.152 -4.499 -5.972 1.00 0.00 H new ATOM 419 N TYR A 27 2.773 -3.525 -2.967 1.00 0.00 N ATOM 420 CA TYR A 27 3.519 -2.382 -2.480 1.00 0.00 C ATOM 421 C TYR A 27 2.739 -1.122 -2.816 1.00 0.00 C ATOM 422 O TYR A 27 2.445 -0.869 -3.992 1.00 0.00 O ATOM 423 CB TYR A 27 4.906 -2.333 -3.124 1.00 0.00 C ATOM 424 CG TYR A 27 5.836 -1.320 -2.493 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.021 -1.281 -1.116 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.531 -0.406 -3.274 1.00 0.00 C ATOM 427 CE1 TYR A 27 6.872 -0.361 -0.536 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.385 0.518 -2.702 1.00 0.00 C ATOM 429 CZ TYR A 27 7.551 0.536 -1.333 1.00 0.00 C ATOM 430 OH TYR A 27 8.399 1.454 -0.758 1.00 0.00 O ATOM 0 H TYR A 27 2.953 -3.759 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 27 3.653 -2.462 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.362 -3.321 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.797 -2.102 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.490 -1.982 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.402 -0.417 -4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.005 -0.344 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.919 1.222 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 27 8.800 2.012 -1.457 1.00 0.00 H new ATOM 440 N CYS A 28 2.378 -0.349 -1.800 1.00 0.00 N ATOM 441 CA CYS A 28 1.603 0.856 -2.032 1.00 0.00 C ATOM 442 C CYS A 28 2.195 2.063 -1.327 1.00 0.00 C ATOM 443 O CYS A 28 2.952 1.943 -0.363 1.00 0.00 O ATOM 444 CB CYS A 28 0.164 0.684 -1.545 1.00 0.00 C ATOM 445 SG CYS A 28 -0.578 -0.945 -1.887 1.00 0.00 S ATOM 0 H CYS A 28 2.606 -0.533 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 28 1.623 1.025 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.137 0.860 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.455 1.452 -2.009 1.00 0.00 H new ATOM 450 N CYS A 29 1.784 3.221 -1.803 1.00 0.00 N ATOM 451 CA CYS A 29 2.184 4.498 -1.240 1.00 0.00 C ATOM 452 C CYS A 29 0.920 5.308 -1.011 1.00 0.00 C ATOM 453 O CYS A 29 0.208 5.638 -1.959 1.00 0.00 O ATOM 454 CB CYS A 29 3.133 5.250 -2.177 1.00 0.00 C ATOM 455 SG CYS A 29 4.685 4.368 -2.541 1.00 0.00 S ATOM 0 H CYS A 29 1.155 3.304 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 29 2.721 4.338 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.615 5.451 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.374 6.216 -1.732 1.00 0.00 H new ATOM 460 N PRO A 30 0.589 5.593 0.247 1.00 0.00 N ATOM 461 CA PRO A 30 -0.629 6.322 0.591 1.00 0.00 C ATOM 462 C PRO A 30 -0.610 7.781 0.165 1.00 0.00 C ATOM 463 O PRO A 30 0.287 8.540 0.531 1.00 0.00 O ATOM 464 CB PRO A 30 -0.701 6.234 2.118 1.00 0.00 C ATOM 465 CG PRO A 30 0.309 5.210 2.519 1.00 0.00 C ATOM 466 CD PRO A 30 1.347 5.194 1.438 1.00 0.00 C ATOM 0 HA PRO A 30 -1.486 5.890 0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.481 7.199 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.700 5.946 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.755 5.460 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.154 4.229 2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.161 5.888 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.792 4.206 1.321 1.00 0.00 H new ATOM 474 N ARG A 31 -1.641 8.186 -0.560 1.00 0.00 N ATOM 475 CA ARG A 31 -1.776 9.573 -0.973 1.00 0.00 C ATOM 476 C ARG A 31 -2.184 10.367 0.253 1.00 0.00 C ATOM 477 O ARG A 31 -1.757 11.503 0.462 1.00 0.00 O ATOM 478 CB ARG A 31 -2.815 9.713 -2.098 1.00 0.00 C ATOM 479 CG ARG A 31 -3.109 11.153 -2.507 1.00 0.00 C ATOM 480 CD ARG A 31 -4.275 11.740 -1.716 1.00 0.00 C ATOM 481 NE ARG A 31 -4.462 13.171 -1.974 1.00 0.00 N ATOM 482 CZ ARG A 31 -3.691 14.138 -1.464 1.00 0.00 C ATOM 483 NH1 ARG A 31 -2.711 13.843 -0.614 1.00 0.00 N ATOM 484 NH2 ARG A 31 -3.918 15.407 -1.790 1.00 0.00 N ATOM 0 H ARG A 31 -2.395 7.575 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.834 9.949 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.463 9.164 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.744 9.242 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.220 11.764 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.338 11.189 -3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.190 11.205 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.102 11.585 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.232 13.448 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.543 12.873 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.128 14.587 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.679 15.641 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.331 16.146 -1.402 1.00 0.00 H new ATOM 498 N ARG A 32 -2.994 9.713 1.068 1.00 0.00 N ATOM 499 CA ARG A 32 -3.480 10.262 2.319 1.00 0.00 C ATOM 500 C ARG A 32 -2.339 10.308 3.331 1.00 0.00 C ATOM 501 O ARG A 32 -1.779 9.234 3.643 1.00 0.00 O ATOM 502 CB ARG A 32 -4.628 9.379 2.818 1.00 0.00 C ATOM 503 CG ARG A 32 -4.839 9.388 4.323 1.00 0.00 C ATOM 504 CD ARG A 32 -5.566 8.126 4.766 1.00 0.00 C ATOM 505 NE ARG A 32 -4.875 6.908 4.319 1.00 0.00 N ATOM 506 CZ ARG A 32 -3.696 6.488 4.797 1.00 0.00 C ATOM 507 NH1 ARG A 32 -3.109 7.137 5.798 1.00 0.00 N ATOM 508 NH2 ARG A 32 -3.100 5.422 4.270 1.00 0.00 N ATOM 509 OXT ARG A 32 -1.969 11.410 3.764 1.00 0.00 O ATOM 0 H ARG A 32 -3.337 8.772 0.875 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.847 11.279 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.550 9.701 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.443 8.353 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.877 9.458 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.416 10.267 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.649 8.118 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.581 8.134 4.369 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.323 6.345 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.556 7.958 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.211 6.814 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.541 4.921 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.202 5.106 4.637 1.00 0.00 H new TER 523 ARG A 32