USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 266 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+ -137:sc= 0.0343 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0.0012) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.383 10.530 -3.664 1.00 0.00 N ATOM 2 CA GLY A 1 9.137 10.643 -4.459 1.00 0.00 C ATOM 3 C GLY A 1 7.915 10.521 -3.581 1.00 0.00 C ATOM 4 O GLY A 1 7.934 10.979 -2.441 1.00 0.00 O ATOM 0 H1 GLY A 1 11.064 11.249 -3.982 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.167 10.678 -2.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.793 9.583 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.120 11.601 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.118 9.865 -5.223 1.00 0.00 H new ATOM 10 N LEU A 2 6.866 9.896 -4.099 1.00 0.00 N ATOM 11 CA LEU A 2 5.637 9.708 -3.336 1.00 0.00 C ATOM 12 C LEU A 2 5.863 8.719 -2.199 1.00 0.00 C ATOM 13 O LEU A 2 6.516 7.690 -2.382 1.00 0.00 O ATOM 14 CB LEU A 2 4.511 9.212 -4.247 1.00 0.00 C ATOM 15 CG LEU A 2 4.089 10.185 -5.348 1.00 0.00 C ATOM 16 CD1 LEU A 2 3.038 9.549 -6.244 1.00 0.00 C ATOM 17 CD2 LEU A 2 3.562 11.478 -4.743 1.00 0.00 C ATOM 0 H LEU A 2 6.840 9.511 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 2 5.346 10.669 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.826 8.277 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.641 8.985 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 2 4.963 10.420 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.748 10.255 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.448 8.650 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.163 9.286 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.266 12.159 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.699 11.260 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.343 11.942 -4.140 1.00 0.00 H new ATOM 29 N LEU A 3 5.325 9.044 -1.034 1.00 0.00 N ATOM 30 CA LEU A 3 5.462 8.198 0.146 1.00 0.00 C ATOM 31 C LEU A 3 4.481 7.026 0.084 1.00 0.00 C ATOM 32 O LEU A 3 3.513 6.967 0.838 1.00 0.00 O ATOM 33 CB LEU A 3 5.232 9.028 1.415 1.00 0.00 C ATOM 34 CG LEU A 3 5.559 8.322 2.732 1.00 0.00 C ATOM 35 CD1 LEU A 3 7.031 7.940 2.786 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.193 9.208 3.914 1.00 0.00 C ATOM 0 H LEU A 3 4.784 9.895 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 3 6.473 7.792 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.834 9.934 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.188 9.340 1.440 1.00 0.00 H new ATOM 0 HG LEU A 3 4.968 7.408 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.243 7.439 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.263 7.269 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.643 8.838 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.432 8.691 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.759 10.138 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.126 9.430 3.886 1.00 0.00 H new ATOM 48 N CYS A 4 4.730 6.108 -0.836 1.00 0.00 N ATOM 49 CA CYS A 4 3.873 4.951 -1.014 1.00 0.00 C ATOM 50 C CYS A 4 4.331 3.801 -0.127 1.00 0.00 C ATOM 51 O CYS A 4 5.499 3.723 0.258 1.00 0.00 O ATOM 52 CB CYS A 4 3.882 4.507 -2.473 1.00 0.00 C ATOM 53 SG CYS A 4 3.773 5.874 -3.675 1.00 0.00 S ATOM 0 H CYS A 4 5.525 6.144 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 4 2.859 5.232 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.795 3.944 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.047 3.826 -2.638 1.00 0.00 H new ATOM 58 N TYR A 5 3.406 2.916 0.190 1.00 0.00 N ATOM 59 CA TYR A 5 3.692 1.763 1.032 1.00 0.00 C ATOM 60 C TYR A 5 3.096 0.495 0.444 1.00 0.00 C ATOM 61 O TYR A 5 2.030 0.524 -0.175 1.00 0.00 O ATOM 62 CB TYR A 5 3.113 1.938 2.439 1.00 0.00 C ATOM 63 CG TYR A 5 3.701 3.071 3.244 1.00 0.00 C ATOM 64 CD1 TYR A 5 3.277 4.379 3.058 1.00 0.00 C ATOM 65 CD2 TYR A 5 4.663 2.824 4.212 1.00 0.00 C ATOM 66 CE1 TYR A 5 3.803 5.412 3.810 1.00 0.00 C ATOM 67 CE2 TYR A 5 5.193 3.848 4.971 1.00 0.00 C ATOM 68 CZ TYR A 5 4.760 5.141 4.765 1.00 0.00 C ATOM 69 OH TYR A 5 5.283 6.163 5.521 1.00 0.00 O ATOM 0 H TYR A 5 2.438 2.972 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 5 4.778 1.683 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.038 2.095 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.257 1.009 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.524 4.593 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.004 1.812 4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.467 6.426 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.941 3.638 5.721 1.00 0.00 H new ATOM 0 HH TYR A 5 5.944 5.801 6.148 1.00 0.00 H new ATOM 79 N CYS A 6 3.769 -0.618 0.676 1.00 0.00 N ATOM 80 CA CYS A 6 3.288 -1.906 0.217 1.00 0.00 C ATOM 81 C CYS A 6 2.218 -2.405 1.167 1.00 0.00 C ATOM 82 O CYS A 6 2.410 -2.423 2.384 1.00 0.00 O ATOM 83 CB CYS A 6 4.418 -2.929 0.151 1.00 0.00 C ATOM 84 SG CYS A 6 5.675 -2.575 -1.111 1.00 0.00 S ATOM 0 H CYS A 6 4.654 -0.654 1.182 1.00 0.00 H new ATOM 0 HA CYS A 6 2.880 -1.782 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.903 -2.980 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.991 -3.913 -0.045 1.00 0.00 H new ATOM 89 N ARG A 7 1.098 -2.803 0.613 1.00 0.00 N ATOM 90 CA ARG A 7 -0.005 -3.301 1.411 1.00 0.00 C ATOM 91 C ARG A 7 -0.358 -4.709 0.977 1.00 0.00 C ATOM 92 O ARG A 7 -0.315 -5.036 -0.209 1.00 0.00 O ATOM 93 CB ARG A 7 -1.226 -2.393 1.293 1.00 0.00 C ATOM 94 CG ARG A 7 -0.947 -0.931 1.611 1.00 0.00 C ATOM 95 CD ARG A 7 -0.364 -0.765 3.003 1.00 0.00 C ATOM 96 NE ARG A 7 -0.264 0.638 3.384 1.00 0.00 N ATOM 97 CZ ARG A 7 0.417 1.083 4.436 1.00 0.00 C ATOM 98 NH1 ARG A 7 1.089 0.234 5.210 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.438 2.381 4.696 1.00 0.00 N ATOM 0 H ARG A 7 0.923 -2.793 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 7 0.306 -3.311 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.622 -2.464 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.003 -2.758 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.255 -0.523 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.871 -0.358 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.988 -1.294 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.624 -1.223 3.040 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.748 1.324 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.083 -0.764 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.610 0.581 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.065 3.030 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.958 2.732 5.501 1.00 0.00 H new ATOM 113 N LYS A 8 -0.691 -5.538 1.944 1.00 0.00 N ATOM 114 CA LYS A 8 -1.038 -6.922 1.673 1.00 0.00 C ATOM 115 C LYS A 8 -2.526 -7.073 1.376 1.00 0.00 C ATOM 116 O LYS A 8 -3.380 -6.702 2.184 1.00 0.00 O ATOM 117 CB LYS A 8 -0.632 -7.817 2.851 1.00 0.00 C ATOM 118 CG LYS A 8 -1.152 -7.344 4.201 1.00 0.00 C ATOM 119 CD LYS A 8 -0.693 -8.257 5.327 1.00 0.00 C ATOM 120 CE LYS A 8 -1.206 -7.778 6.676 1.00 0.00 C ATOM 121 NZ LYS A 8 -0.753 -8.659 7.789 1.00 0.00 N ATOM 0 H LYS A 8 -0.729 -5.278 2.930 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.487 -7.238 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.996 -8.828 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.456 -7.873 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.804 -6.328 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.241 -7.309 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.046 -9.271 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.396 -8.297 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.860 -6.760 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.295 -7.746 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.124 -8.298 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.105 -9.625 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.286 -8.670 7.822 1.00 0.00 H new ATOM 135 N GLY A 9 -2.824 -7.629 0.212 1.00 0.00 N ATOM 136 CA GLY A 9 -4.201 -7.845 -0.191 1.00 0.00 C ATOM 137 C GLY A 9 -4.889 -6.594 -0.702 1.00 0.00 C ATOM 138 O GLY A 9 -5.540 -6.622 -1.744 1.00 0.00 O ATOM 0 H GLY A 9 -2.130 -7.938 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.227 -8.607 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.762 -8.237 0.658 1.00 0.00 H new ATOM 142 N HIS A 10 -4.753 -5.500 0.029 1.00 0.00 N ATOM 143 CA HIS A 10 -5.373 -4.238 -0.358 1.00 0.00 C ATOM 144 C HIS A 10 -4.817 -3.073 0.441 1.00 0.00 C ATOM 145 O HIS A 10 -4.315 -3.245 1.554 1.00 0.00 O ATOM 146 CB HIS A 10 -6.904 -4.284 -0.217 1.00 0.00 C ATOM 147 CG HIS A 10 -7.419 -4.659 1.148 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.764 -4.808 1.421 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.776 -4.916 2.315 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.922 -5.140 2.689 1.00 0.00 C ATOM 151 NE2 HIS A 10 -7.733 -5.214 3.254 1.00 0.00 N ATOM 0 H HIS A 10 -4.218 -5.458 0.896 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.130 -4.086 -1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.305 -3.306 -0.481 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.297 -4.996 -0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.708 -4.891 2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.866 -5.321 3.181 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.553 -5.453 4.229 1.00 0.00 H new ATOM 160 N CYS A 11 -4.910 -1.899 -0.151 1.00 0.00 N ATOM 161 CA CYS A 11 -4.430 -0.667 0.456 1.00 0.00 C ATOM 162 C CYS A 11 -5.320 -0.238 1.612 1.00 0.00 C ATOM 163 O CYS A 11 -6.443 -0.730 1.765 1.00 0.00 O ATOM 164 CB CYS A 11 -4.414 0.444 -0.592 1.00 0.00 C ATOM 165 SG CYS A 11 -3.844 -0.100 -2.231 1.00 0.00 S ATOM 0 H CYS A 11 -5.324 -1.769 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.425 -0.848 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.419 0.857 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.769 1.251 -0.243 1.00 0.00 H new ATOM 170 N LYS A 12 -4.832 0.706 2.403 1.00 0.00 N ATOM 171 CA LYS A 12 -5.603 1.235 3.510 1.00 0.00 C ATOM 172 C LYS A 12 -6.690 2.145 2.946 1.00 0.00 C ATOM 173 O LYS A 12 -6.585 2.594 1.804 1.00 0.00 O ATOM 174 CB LYS A 12 -4.709 2.010 4.482 1.00 0.00 C ATOM 175 CG LYS A 12 -3.609 1.165 5.116 1.00 0.00 C ATOM 176 CD LYS A 12 -4.177 0.071 6.011 1.00 0.00 C ATOM 177 CE LYS A 12 -4.890 0.651 7.224 1.00 0.00 C ATOM 178 NZ LYS A 12 -5.409 -0.414 8.127 1.00 0.00 N ATOM 0 H LYS A 12 -3.906 1.119 2.296 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.053 0.413 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.252 2.846 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.329 2.434 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.001 0.713 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.950 1.807 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.873 -0.543 5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.371 -0.584 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.203 1.292 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.716 1.280 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.887 0.023 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.084 -1.011 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.618 -0.999 8.464 1.00 0.00 H new ATOM 192 N ARG A 13 -7.729 2.398 3.737 1.00 0.00 N ATOM 193 CA ARG A 13 -8.843 3.247 3.310 1.00 0.00 C ATOM 194 C ARG A 13 -8.381 4.688 3.071 1.00 0.00 C ATOM 195 O ARG A 13 -8.613 5.573 3.893 1.00 0.00 O ATOM 196 CB ARG A 13 -9.962 3.211 4.359 1.00 0.00 C ATOM 197 CG ARG A 13 -11.224 3.960 3.948 1.00 0.00 C ATOM 198 CD ARG A 13 -11.870 3.343 2.718 1.00 0.00 C ATOM 199 NE ARG A 13 -13.089 4.053 2.328 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.872 3.694 1.308 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.563 2.629 0.573 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.963 4.401 1.025 1.00 0.00 N ATOM 0 H ARG A 13 -7.825 2.026 4.682 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.226 2.859 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.220 2.172 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.587 3.636 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.935 3.955 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.979 5.003 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.161 3.357 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.107 2.298 2.918 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.357 4.874 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.727 2.086 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.162 2.356 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.202 5.218 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.561 4.126 0.246 1.00 0.00 H new ATOM 216 N GLY A 14 -7.709 4.905 1.951 1.00 0.00 N ATOM 217 CA GLY A 14 -7.208 6.219 1.622 1.00 0.00 C ATOM 218 C GLY A 14 -6.081 6.162 0.613 1.00 0.00 C ATOM 219 O GLY A 14 -5.833 7.132 -0.107 1.00 0.00 O ATOM 0 H GLY A 14 -7.501 4.185 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.020 6.827 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.857 6.711 2.529 1.00 0.00 H new ATOM 223 N GLU A 15 -5.381 5.033 0.565 1.00 0.00 N ATOM 224 CA GLU A 15 -4.266 4.873 -0.351 1.00 0.00 C ATOM 225 C GLU A 15 -4.723 4.401 -1.717 1.00 0.00 C ATOM 226 O GLU A 15 -5.572 3.519 -1.843 1.00 0.00 O ATOM 227 CB GLU A 15 -3.256 3.888 0.210 1.00 0.00 C ATOM 228 CG GLU A 15 -2.728 4.290 1.565 1.00 0.00 C ATOM 229 CD GLU A 15 -1.902 3.202 2.209 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.366 2.041 2.245 1.00 0.00 O ATOM 231 OE2 GLU A 15 -0.795 3.501 2.694 1.00 0.00 O ATOM 0 H GLU A 15 -5.569 4.219 1.150 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.800 5.852 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.719 2.904 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.422 3.796 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.122 5.190 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.564 4.541 2.217 1.00 0.00 H new ATOM 238 N ARG A 16 -4.132 4.987 -2.734 1.00 0.00 N ATOM 239 CA ARG A 16 -4.437 4.625 -4.110 1.00 0.00 C ATOM 240 C ARG A 16 -3.342 3.730 -4.679 1.00 0.00 C ATOM 241 O ARG A 16 -2.155 4.031 -4.551 1.00 0.00 O ATOM 242 CB ARG A 16 -4.610 5.872 -4.977 1.00 0.00 C ATOM 243 CG ARG A 16 -5.999 6.484 -4.885 1.00 0.00 C ATOM 244 CD ARG A 16 -7.060 5.509 -5.376 1.00 0.00 C ATOM 245 NE ARG A 16 -8.407 6.085 -5.339 1.00 0.00 N ATOM 246 CZ ARG A 16 -9.504 5.438 -5.739 1.00 0.00 C ATOM 247 NH1 ARG A 16 -9.416 4.194 -6.201 1.00 0.00 N ATOM 248 NH2 ARG A 16 -10.690 6.036 -5.674 1.00 0.00 N ATOM 0 H ARG A 16 -3.432 5.722 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.377 4.074 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.872 6.617 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.402 5.615 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.208 6.765 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.037 7.398 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.826 5.205 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.035 4.609 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.513 7.036 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.508 3.731 -6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.256 3.703 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.762 6.989 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.528 5.541 -5.980 1.00 0.00 H new ATOM 262 N VAL A 17 -3.749 2.626 -5.297 1.00 0.00 N ATOM 263 CA VAL A 17 -2.810 1.678 -5.884 1.00 0.00 C ATOM 264 C VAL A 17 -2.051 2.320 -7.035 1.00 0.00 C ATOM 265 O VAL A 17 -2.655 2.866 -7.957 1.00 0.00 O ATOM 266 CB VAL A 17 -3.529 0.420 -6.422 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.527 -0.676 -6.750 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.572 -0.081 -5.436 1.00 0.00 C ATOM 0 H VAL A 17 -4.729 2.365 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.121 1.386 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.044 0.698 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.056 -1.551 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.831 -0.318 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.975 -0.945 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.061 -0.967 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.089 -0.334 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.315 0.698 -5.266 1.00 0.00 H new ATOM 278 N ARG A 18 -0.733 2.245 -6.984 1.00 0.00 N ATOM 279 CA ARG A 18 0.093 2.809 -8.037 1.00 0.00 C ATOM 280 C ARG A 18 0.915 1.714 -8.702 1.00 0.00 C ATOM 281 O ARG A 18 1.351 1.860 -9.843 1.00 0.00 O ATOM 282 CB ARG A 18 1.001 3.920 -7.501 1.00 0.00 C ATOM 283 CG ARG A 18 1.716 4.693 -8.601 1.00 0.00 C ATOM 284 CD ARG A 18 2.370 5.963 -8.077 1.00 0.00 C ATOM 285 NE ARG A 18 3.465 5.693 -7.141 1.00 0.00 N ATOM 286 CZ ARG A 18 4.663 5.222 -7.494 1.00 0.00 C ATOM 287 NH1 ARG A 18 4.937 4.968 -8.770 1.00 0.00 N ATOM 288 NH2 ARG A 18 5.588 5.010 -6.565 1.00 0.00 N ATOM 0 H ARG A 18 -0.213 1.801 -6.227 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.566 3.255 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.405 4.613 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.742 3.483 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.475 4.056 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.003 4.950 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.751 6.543 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.617 6.576 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 18 3.300 5.878 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.230 5.133 -9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.855 4.608 -9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.382 5.207 -5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.505 4.650 -6.831 1.00 0.00 H new ATOM 302 N GLY A 19 1.122 0.613 -7.990 1.00 0.00 N ATOM 303 CA GLY A 19 1.885 -0.479 -8.553 1.00 0.00 C ATOM 304 C GLY A 19 1.777 -1.751 -7.740 1.00 0.00 C ATOM 305 O GLY A 19 0.953 -1.853 -6.833 1.00 0.00 O ATOM 0 H GLY A 19 0.778 0.459 -7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.539 -0.672 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.933 -0.186 -8.623 1.00 0.00 H new ATOM 309 N THR A 20 2.617 -2.713 -8.067 1.00 0.00 N ATOM 310 CA THR A 20 2.643 -3.992 -7.378 1.00 0.00 C ATOM 311 C THR A 20 3.942 -4.147 -6.601 1.00 0.00 C ATOM 312 O THR A 20 4.993 -3.699 -7.055 1.00 0.00 O ATOM 313 CB THR A 20 2.502 -5.155 -8.376 1.00 0.00 C ATOM 314 OG1 THR A 20 3.381 -4.946 -9.489 1.00 0.00 O ATOM 315 CG2 THR A 20 1.068 -5.278 -8.873 1.00 0.00 C ATOM 0 H THR A 20 3.302 -2.632 -8.818 1.00 0.00 H new ATOM 0 HA THR A 20 1.801 -4.018 -6.686 1.00 0.00 H new ATOM 0 HB THR A 20 2.769 -6.080 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.290 -5.689 -10.122 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.997 -6.107 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.404 -5.461 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.775 -4.354 -9.371 1.00 0.00 H new ATOM 323 N CYS A 21 3.874 -4.773 -5.437 1.00 0.00 N ATOM 324 CA CYS A 21 5.061 -4.969 -4.619 1.00 0.00 C ATOM 325 C CYS A 21 5.574 -6.391 -4.742 1.00 0.00 C ATOM 326 O CYS A 21 6.778 -6.636 -4.759 1.00 0.00 O ATOM 327 CB CYS A 21 4.760 -4.629 -3.164 1.00 0.00 C ATOM 328 SG CYS A 21 4.657 -2.838 -2.845 1.00 0.00 S ATOM 0 H CYS A 21 3.015 -5.152 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 21 5.842 -4.299 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.818 -5.096 -2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.535 -5.059 -2.530 1.00 0.00 H new ATOM 333 N GLY A 22 4.650 -7.323 -4.832 1.00 0.00 N ATOM 334 CA GLY A 22 5.014 -8.712 -4.959 1.00 0.00 C ATOM 335 C GLY A 22 3.817 -9.610 -4.805 1.00 0.00 C ATOM 336 O GLY A 22 2.678 -9.168 -4.981 1.00 0.00 O ATOM 0 H GLY A 22 3.646 -7.143 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.475 -8.881 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.760 -8.965 -4.205 1.00 0.00 H new ATOM 340 N ILE A 23 4.067 -10.864 -4.463 1.00 0.00 N ATOM 341 CA ILE A 23 2.997 -11.827 -4.276 1.00 0.00 C ATOM 342 C ILE A 23 2.086 -11.399 -3.134 1.00 0.00 C ATOM 343 O ILE A 23 2.466 -11.486 -1.969 1.00 0.00 O ATOM 344 CB ILE A 23 3.552 -13.240 -3.989 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.524 -13.664 -5.095 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.412 -14.244 -3.863 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.190 -15.001 -4.842 1.00 0.00 C ATOM 0 H ILE A 23 5.004 -11.238 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 23 2.425 -11.861 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 23 4.094 -13.216 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.985 -13.710 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.293 -12.900 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.820 -15.234 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.755 -13.948 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.844 -14.268 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.863 -15.234 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.757 -14.955 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.429 -15.778 -4.764 1.00 0.00 H new ATOM 359 N ARG A 24 0.888 -10.943 -3.498 1.00 0.00 N ATOM 360 CA ARG A 24 -0.130 -10.491 -2.545 1.00 0.00 C ATOM 361 C ARG A 24 0.183 -9.121 -1.941 1.00 0.00 C ATOM 362 O ARG A 24 -0.412 -8.752 -0.925 1.00 0.00 O ATOM 363 CB ARG A 24 -0.325 -11.515 -1.418 1.00 0.00 C ATOM 364 CG ARG A 24 -0.972 -12.813 -1.874 1.00 0.00 C ATOM 365 CD ARG A 24 -1.176 -13.771 -0.714 1.00 0.00 C ATOM 366 NE ARG A 24 -2.125 -13.248 0.272 1.00 0.00 N ATOM 367 CZ ARG A 24 -2.485 -13.898 1.380 1.00 0.00 C ATOM 368 NH1 ARG A 24 -1.961 -15.089 1.656 1.00 0.00 N ATOM 369 NH2 ARG A 24 -3.367 -13.353 2.214 1.00 0.00 N ATOM 0 H ARG A 24 0.592 -10.876 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.053 -10.396 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.644 -11.740 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.940 -11.069 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.932 -12.597 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.347 -13.286 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.538 -14.727 -1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.219 -13.962 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.536 -12.330 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.282 -15.507 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.238 -15.584 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.768 -12.438 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.642 -13.850 3.061 1.00 0.00 H new ATOM 383 N PHE A 25 1.076 -8.343 -2.556 1.00 0.00 N ATOM 384 CA PHE A 25 1.379 -7.021 -2.031 1.00 0.00 C ATOM 385 C PHE A 25 1.291 -5.987 -3.131 1.00 0.00 C ATOM 386 O PHE A 25 1.852 -6.158 -4.217 1.00 0.00 O ATOM 387 CB PHE A 25 2.757 -6.967 -1.368 1.00 0.00 C ATOM 388 CG PHE A 25 2.855 -7.796 -0.117 1.00 0.00 C ATOM 389 CD1 PHE A 25 2.988 -9.171 -0.188 1.00 0.00 C ATOM 390 CD2 PHE A 25 2.804 -7.198 1.132 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.067 -9.936 0.956 1.00 0.00 C ATOM 392 CE2 PHE A 25 2.879 -7.959 2.283 1.00 0.00 C ATOM 393 CZ PHE A 25 3.010 -9.332 2.193 1.00 0.00 C ATOM 0 H PHE A 25 1.589 -8.602 -3.399 1.00 0.00 H new ATOM 0 HA PHE A 25 0.637 -6.799 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.508 -7.309 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.995 -5.931 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.031 -9.652 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.705 -6.125 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.174 -11.008 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.835 -7.482 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.068 -9.930 3.090 1.00 0.00 H new ATOM 403 N LEU A 26 0.578 -4.922 -2.839 1.00 0.00 N ATOM 404 CA LEU A 26 0.385 -3.837 -3.784 1.00 0.00 C ATOM 405 C LEU A 26 1.033 -2.565 -3.267 1.00 0.00 C ATOM 406 O LEU A 26 0.976 -2.268 -2.076 1.00 0.00 O ATOM 407 CB LEU A 26 -1.106 -3.592 -4.022 1.00 0.00 C ATOM 408 CG LEU A 26 -1.898 -4.801 -4.526 1.00 0.00 C ATOM 409 CD1 LEU A 26 -3.378 -4.466 -4.618 1.00 0.00 C ATOM 410 CD2 LEU A 26 -1.373 -5.259 -5.878 1.00 0.00 C ATOM 0 H LEU A 26 0.115 -4.781 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 26 0.853 -4.120 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.554 -3.249 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.213 -2.782 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.771 -5.616 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.926 -5.337 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.749 -4.185 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.521 -3.636 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.949 -6.119 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.470 -4.448 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.324 -5.539 -5.785 1.00 0.00 H new ATOM 422 N TYR A 27 1.632 -1.816 -4.168 1.00 0.00 N ATOM 423 CA TYR A 27 2.273 -0.563 -3.819 1.00 0.00 C ATOM 424 C TYR A 27 1.234 0.541 -3.910 1.00 0.00 C ATOM 425 O TYR A 27 0.810 0.929 -5.008 1.00 0.00 O ATOM 426 CB TYR A 27 3.438 -0.295 -4.768 1.00 0.00 C ATOM 427 CG TYR A 27 4.473 0.679 -4.250 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.914 0.625 -2.934 1.00 0.00 C ATOM 429 CD2 TYR A 27 5.020 1.641 -5.087 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.871 1.507 -2.467 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.978 2.522 -4.629 1.00 0.00 C ATOM 432 CZ TYR A 27 6.400 2.453 -3.319 1.00 0.00 C ATOM 433 OH TYR A 27 7.350 3.336 -2.862 1.00 0.00 O ATOM 0 H TYR A 27 1.689 -2.055 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 27 2.672 -0.605 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.931 -1.241 -4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.041 0.086 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.503 -0.117 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.691 1.701 -6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.202 1.455 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.396 3.263 -5.295 1.00 0.00 H new ATOM 0 HH TYR A 27 7.617 3.935 -3.590 1.00 0.00 H new ATOM 443 N CYS A 28 0.797 1.004 -2.758 1.00 0.00 N ATOM 444 CA CYS A 28 -0.232 2.025 -2.684 1.00 0.00 C ATOM 445 C CYS A 28 0.312 3.338 -2.153 1.00 0.00 C ATOM 446 O CYS A 28 1.110 3.363 -1.219 1.00 0.00 O ATOM 447 CB CYS A 28 -1.368 1.551 -1.781 1.00 0.00 C ATOM 448 SG CYS A 28 -1.833 -0.190 -2.030 1.00 0.00 S ATOM 0 H CYS A 28 1.141 0.687 -1.851 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.600 2.194 -3.696 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.075 1.693 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.242 2.178 -1.954 1.00 0.00 H new ATOM 453 N CYS A 29 -0.139 4.427 -2.742 1.00 0.00 N ATOM 454 CA CYS A 29 0.277 5.749 -2.322 1.00 0.00 C ATOM 455 C CYS A 29 -0.909 6.474 -1.706 1.00 0.00 C ATOM 456 O CYS A 29 -1.950 6.619 -2.347 1.00 0.00 O ATOM 457 CB CYS A 29 0.810 6.539 -3.514 1.00 0.00 C ATOM 458 SG CYS A 29 1.969 5.599 -4.559 1.00 0.00 S ATOM 0 H CYS A 29 -0.799 4.421 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 29 1.073 5.658 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.030 6.868 -4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.310 7.436 -3.149 1.00 0.00 H new ATOM 463 N PRO A 30 -0.779 6.928 -0.455 1.00 0.00 N ATOM 464 CA PRO A 30 -1.853 7.637 0.243 1.00 0.00 C ATOM 465 C PRO A 30 -2.263 8.900 -0.498 1.00 0.00 C ATOM 466 O PRO A 30 -1.432 9.556 -1.128 1.00 0.00 O ATOM 467 CB PRO A 30 -1.241 7.982 1.602 1.00 0.00 C ATOM 468 CG PRO A 30 -0.131 7.005 1.768 1.00 0.00 C ATOM 469 CD PRO A 30 0.416 6.783 0.389 1.00 0.00 C ATOM 0 HA PRO A 30 -2.760 7.037 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.874 9.008 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.975 7.890 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.637 7.393 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.491 6.072 2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.184 7.514 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.868 5.797 0.286 1.00 0.00 H new ATOM 477 N ARG A 31 -3.548 9.223 -0.434 1.00 0.00 N ATOM 478 CA ARG A 31 -4.074 10.401 -1.109 1.00 0.00 C ATOM 479 C ARG A 31 -3.420 11.679 -0.591 1.00 0.00 C ATOM 480 O ARG A 31 -3.167 12.611 -1.355 1.00 0.00 O ATOM 481 CB ARG A 31 -5.589 10.495 -0.937 1.00 0.00 C ATOM 482 CG ARG A 31 -6.369 9.760 -2.011 1.00 0.00 C ATOM 483 CD ARG A 31 -7.871 9.933 -1.829 1.00 0.00 C ATOM 484 NE ARG A 31 -8.272 11.342 -1.700 1.00 0.00 N ATOM 485 CZ ARG A 31 -8.135 12.270 -2.659 1.00 0.00 C ATOM 486 NH1 ARG A 31 -7.605 11.956 -3.839 1.00 0.00 N ATOM 487 NH2 ARG A 31 -8.532 13.519 -2.432 1.00 0.00 N ATOM 0 H ARG A 31 -4.246 8.685 0.079 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.840 10.297 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.861 10.092 0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.882 11.545 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.076 10.131 -2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.118 8.700 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.389 9.489 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.190 9.387 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.685 11.636 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.298 11.001 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.506 12.671 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.939 13.769 -1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.429 14.227 -3.159 1.00 0.00 H new ATOM 501 N ARG A 32 -3.159 11.707 0.710 1.00 0.00 N ATOM 502 CA ARG A 32 -2.538 12.850 1.357 1.00 0.00 C ATOM 503 C ARG A 32 -2.193 12.453 2.783 1.00 0.00 C ATOM 504 O ARG A 32 -2.887 11.565 3.319 1.00 0.00 O ATOM 505 CB ARG A 32 -3.490 14.059 1.346 1.00 0.00 C ATOM 506 CG ARG A 32 -2.797 15.415 1.461 1.00 0.00 C ATOM 507 CD ARG A 32 -2.313 15.707 2.876 1.00 0.00 C ATOM 508 NE ARG A 32 -3.420 15.905 3.818 1.00 0.00 N ATOM 509 CZ ARG A 32 -3.594 15.183 4.929 1.00 0.00 C ATOM 510 NH1 ARG A 32 -2.793 14.160 5.196 1.00 0.00 N ATOM 511 NH2 ARG A 32 -4.591 15.473 5.759 1.00 0.00 N ATOM 512 OXT ARG A 32 -1.250 13.033 3.361 1.00 0.00 O ATOM 0 H ARG A 32 -3.373 10.937 1.344 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.634 13.139 0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.070 14.039 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.197 13.956 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.949 15.445 0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.486 16.199 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.690 14.882 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.685 16.598 2.865 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.098 16.639 3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.039 13.921 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.931 13.613 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.222 16.246 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.725 14.923 6.607 1.00 0.00 H new TER 526 ARG A 32