USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 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 Set 1.1: A 1 GLY N :NH3+ -128:sc= 1.31 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 1.03 USER MOD Single : A 5 TYR OH : rot -46:sc= 0.465 USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -0.0616 (180deg=-0.328) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.194 F(o=-1.5,f=-0.19) USER MOD Single : A 12 LYS NZ :NH3+ -133:sc= 1.19 (180deg=-0.466) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0172 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.006 3.230 -2.968 1.00 0.00 N ATOM 2 CA GLY A 1 9.014 4.331 -2.882 1.00 0.00 C ATOM 3 C GLY A 1 9.411 5.339 -1.831 1.00 0.00 C ATOM 4 O GLY A 1 10.266 5.044 -1.002 1.00 0.00 O ATOM 0 H1 GLY A 1 10.308 3.111 -3.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.832 3.460 -2.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.574 2.347 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.929 4.825 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.032 3.922 -2.645 1.00 0.00 H new ATOM 10 N LEU A 2 8.806 6.523 -1.870 1.00 0.00 N ATOM 11 CA LEU A 2 9.116 7.579 -0.906 1.00 0.00 C ATOM 12 C LEU A 2 8.751 7.138 0.506 1.00 0.00 C ATOM 13 O LEU A 2 9.522 7.316 1.444 1.00 0.00 O ATOM 14 CB LEU A 2 8.375 8.878 -1.252 1.00 0.00 C ATOM 15 CG LEU A 2 8.870 9.620 -2.502 1.00 0.00 C ATOM 16 CD1 LEU A 2 8.444 8.903 -3.775 1.00 0.00 C ATOM 17 CD2 LEU A 2 8.357 11.053 -2.500 1.00 0.00 C ATOM 0 H LEU A 2 8.098 6.777 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 2 10.188 7.768 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.318 8.646 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.448 9.553 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 2 9.960 9.635 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.810 9.453 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.861 7.896 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.356 8.846 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.715 11.569 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.267 11.049 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.721 11.569 -1.612 1.00 0.00 H new ATOM 29 N LEU A 3 7.572 6.552 0.637 1.00 0.00 N ATOM 30 CA LEU A 3 7.088 6.069 1.921 1.00 0.00 C ATOM 31 C LEU A 3 6.022 5.008 1.688 1.00 0.00 C ATOM 32 O LEU A 3 4.962 5.008 2.309 1.00 0.00 O ATOM 33 CB LEU A 3 6.529 7.230 2.756 1.00 0.00 C ATOM 34 CG LEU A 3 6.214 6.895 4.217 1.00 0.00 C ATOM 35 CD1 LEU A 3 7.480 6.498 4.961 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.540 8.075 4.900 1.00 0.00 C ATOM 0 H LEU A 3 6.927 6.398 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 3 7.915 5.627 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.248 8.049 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.618 7.593 2.279 1.00 0.00 H new ATOM 0 HG LEU A 3 5.528 6.048 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.235 6.264 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.922 5.622 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.192 7.323 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.323 7.820 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.203 8.940 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.610 8.312 4.383 1.00 0.00 H new ATOM 48 N CYS A 4 6.320 4.103 0.773 1.00 0.00 N ATOM 49 CA CYS A 4 5.401 3.024 0.437 1.00 0.00 C ATOM 50 C CYS A 4 5.661 1.830 1.344 1.00 0.00 C ATOM 51 O CYS A 4 6.813 1.521 1.650 1.00 0.00 O ATOM 52 CB CYS A 4 5.561 2.587 -1.025 1.00 0.00 C ATOM 53 SG CYS A 4 5.182 3.847 -2.300 1.00 0.00 S ATOM 0 H CYS A 4 7.193 4.092 0.246 1.00 0.00 H new ATOM 0 HA CYS A 4 4.385 3.393 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.588 2.252 -1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.917 1.724 -1.196 1.00 0.00 H new ATOM 58 N TYR A 5 4.603 1.154 1.759 1.00 0.00 N ATOM 59 CA TYR A 5 4.735 -0.003 2.610 1.00 0.00 C ATOM 60 C TYR A 5 4.122 -1.227 1.951 1.00 0.00 C ATOM 61 O TYR A 5 3.442 -1.134 0.925 1.00 0.00 O ATOM 62 CB TYR A 5 4.104 0.245 3.993 1.00 0.00 C ATOM 63 CG TYR A 5 2.696 0.820 3.976 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.704 0.306 3.145 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.360 1.878 4.811 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.427 0.833 3.145 1.00 0.00 C ATOM 67 CE2 TYR A 5 1.085 2.407 4.818 1.00 0.00 C ATOM 68 CZ TYR A 5 0.123 1.883 3.983 1.00 0.00 C ATOM 69 OH TYR A 5 -1.146 2.414 3.985 1.00 0.00 O ATOM 0 H TYR A 5 3.642 1.393 1.516 1.00 0.00 H new ATOM 0 HA TYR A 5 5.799 -0.188 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.086 -0.698 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.749 0.924 4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.937 -0.519 2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.110 2.294 5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.329 0.424 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.843 3.229 5.476 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.443 2.556 3.062 1.00 0.00 H new ATOM 79 N CYS A 6 4.371 -2.360 2.561 1.00 0.00 N ATOM 80 CA CYS A 6 3.862 -3.633 2.086 1.00 0.00 C ATOM 81 C CYS A 6 2.550 -3.952 2.791 1.00 0.00 C ATOM 82 O CYS A 6 2.422 -3.738 3.998 1.00 0.00 O ATOM 83 CB CYS A 6 4.892 -4.732 2.351 1.00 0.00 C ATOM 84 SG CYS A 6 4.413 -6.382 1.752 1.00 0.00 S ATOM 0 H CYS A 6 4.936 -2.430 3.407 1.00 0.00 H new ATOM 0 HA CYS A 6 3.680 -3.577 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.834 -4.449 1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.075 -4.789 3.424 1.00 0.00 H new ATOM 89 N ARG A 7 1.573 -4.445 2.046 1.00 0.00 N ATOM 90 CA ARG A 7 0.279 -4.768 2.625 1.00 0.00 C ATOM 91 C ARG A 7 -0.384 -5.900 1.854 1.00 0.00 C ATOM 92 O ARG A 7 -0.486 -5.853 0.631 1.00 0.00 O ATOM 93 CB ARG A 7 -0.611 -3.523 2.628 1.00 0.00 C ATOM 94 CG ARG A 7 -1.907 -3.687 3.402 1.00 0.00 C ATOM 95 CD ARG A 7 -2.719 -2.401 3.388 1.00 0.00 C ATOM 96 NE ARG A 7 -4.029 -2.560 4.023 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.228 -2.596 5.342 1.00 0.00 C ATOM 98 NH1 ARG A 7 -3.207 -2.420 6.179 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.453 -2.792 5.824 1.00 0.00 N ATOM 0 H ARG A 7 1.650 -4.629 1.046 1.00 0.00 H new ATOM 0 HA ARG A 7 0.424 -5.100 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.050 -2.690 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.847 -3.256 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.494 -4.496 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.686 -3.970 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.162 -1.617 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.855 -2.072 2.358 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.844 -2.649 3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.269 -2.257 5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.363 -2.448 7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.239 -2.915 5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.606 -2.820 6.832 1.00 0.00 H new ATOM 113 N LYS A 8 -0.820 -6.922 2.577 1.00 0.00 N ATOM 114 CA LYS A 8 -1.461 -8.075 1.960 1.00 0.00 C ATOM 115 C LYS A 8 -2.899 -7.766 1.558 1.00 0.00 C ATOM 116 O LYS A 8 -3.592 -6.985 2.218 1.00 0.00 O ATOM 117 CB LYS A 8 -1.429 -9.300 2.891 1.00 0.00 C ATOM 118 CG LYS A 8 -2.376 -9.231 4.087 1.00 0.00 C ATOM 119 CD LYS A 8 -1.855 -8.317 5.186 1.00 0.00 C ATOM 120 CE LYS A 8 -2.805 -8.280 6.373 1.00 0.00 C ATOM 121 NZ LYS A 8 -3.003 -9.631 6.973 1.00 0.00 N ATOM 0 H LYS A 8 -0.741 -6.976 3.593 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.893 -8.309 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.671 -10.187 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.412 -9.430 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.352 -8.876 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.522 -10.233 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.874 -8.662 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.723 -7.309 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.413 -7.601 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.768 -7.880 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.440 -9.533 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.624 -10.196 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.083 -10.107 7.067 1.00 0.00 H new ATOM 135 N GLY A 9 -3.339 -8.396 0.479 1.00 0.00 N ATOM 136 CA GLY A 9 -4.691 -8.210 -0.010 1.00 0.00 C ATOM 137 C GLY A 9 -4.840 -7.016 -0.924 1.00 0.00 C ATOM 138 O GLY A 9 -5.158 -7.166 -2.103 1.00 0.00 O ATOM 0 H GLY A 9 -2.775 -9.042 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.003 -9.108 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.364 -8.094 0.840 1.00 0.00 H new ATOM 142 N HIS A 10 -4.613 -5.835 -0.378 1.00 0.00 N ATOM 143 CA HIS A 10 -4.725 -4.586 -1.130 1.00 0.00 C ATOM 144 C HIS A 10 -4.162 -3.430 -0.324 1.00 0.00 C ATOM 145 O HIS A 10 -3.905 -3.565 0.870 1.00 0.00 O ATOM 146 CB HIS A 10 -6.188 -4.280 -1.479 1.00 0.00 C ATOM 147 CG HIS A 10 -6.574 -4.610 -2.891 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.822 -4.954 -3.963 1.00 0.00 N flip ATOM 149 CD2 HIS A 10 -7.880 -4.588 -3.337 1.00 0.00 C flip ATOM 150 CE1 HIS A 10 -6.677 -5.133 -5.024 1.00 0.00 C flip ATOM 151 NE2 HIS A 10 -7.912 -4.906 -4.618 1.00 0.00 N flip ATOM 0 H HIS A 10 -4.346 -5.708 0.598 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.155 -4.706 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.834 -4.836 -0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.376 -3.221 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.742 -4.348 -2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.386 -5.413 -6.026 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.750 -4.966 -5.196 1.00 0.00 H new ATOM 160 N CYS A 11 -3.995 -2.296 -0.988 1.00 0.00 N ATOM 161 CA CYS A 11 -3.481 -1.085 -0.357 1.00 0.00 C ATOM 162 C CYS A 11 -4.495 -0.533 0.645 1.00 0.00 C ATOM 163 O CYS A 11 -5.641 -0.993 0.695 1.00 0.00 O ATOM 164 CB CYS A 11 -3.202 -0.023 -1.425 1.00 0.00 C ATOM 165 SG CYS A 11 -2.301 -0.635 -2.889 1.00 0.00 S ATOM 0 H CYS A 11 -4.211 -2.187 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.559 -1.333 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.151 0.404 -1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.627 0.786 -0.973 1.00 0.00 H new ATOM 170 N LYS A 12 -4.089 0.471 1.416 1.00 0.00 N ATOM 171 CA LYS A 12 -4.987 1.100 2.377 1.00 0.00 C ATOM 172 C LYS A 12 -6.063 1.854 1.597 1.00 0.00 C ATOM 173 O LYS A 12 -5.873 2.156 0.417 1.00 0.00 O ATOM 174 CB LYS A 12 -4.198 2.035 3.310 1.00 0.00 C ATOM 175 CG LYS A 12 -4.915 2.444 4.595 1.00 0.00 C ATOM 176 CD LYS A 12 -5.726 3.727 4.435 1.00 0.00 C ATOM 177 CE LYS A 12 -4.867 4.901 3.975 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.732 5.172 4.898 1.00 0.00 N ATOM 0 H LYS A 12 -3.148 0.865 1.394 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.463 0.349 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.261 1.546 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.939 2.938 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.577 1.637 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.180 2.580 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.526 3.561 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.199 3.976 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.479 4.694 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.488 5.793 3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.684 6.191 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.874 4.650 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.843 4.865 4.455 1.00 0.00 H new ATOM 192 N ARG A 13 -7.193 2.118 2.234 1.00 0.00 N ATOM 193 CA ARG A 13 -8.300 2.804 1.580 1.00 0.00 C ATOM 194 C ARG A 13 -7.860 4.119 0.931 1.00 0.00 C ATOM 195 O ARG A 13 -7.603 5.112 1.610 1.00 0.00 O ATOM 196 CB ARG A 13 -9.423 3.067 2.591 1.00 0.00 C ATOM 197 CG ARG A 13 -10.679 3.670 1.978 1.00 0.00 C ATOM 198 CD ARG A 13 -11.413 2.670 1.097 1.00 0.00 C ATOM 199 NE ARG A 13 -11.929 1.532 1.863 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.651 0.540 1.336 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.949 0.545 0.040 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.078 -0.455 2.108 1.00 0.00 N ATOM 0 H ARG A 13 -7.369 1.867 3.207 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.666 2.154 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.684 2.129 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.051 3.738 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.343 4.011 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.411 4.546 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.239 3.171 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.738 2.308 0.321 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.724 1.495 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.626 1.308 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.501 -0.214 -0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.854 -0.461 3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.630 -1.213 1.705 1.00 0.00 H new ATOM 216 N GLY A 14 -7.801 4.103 -0.397 1.00 0.00 N ATOM 217 CA GLY A 14 -7.423 5.278 -1.156 1.00 0.00 C ATOM 218 C GLY A 14 -5.923 5.494 -1.268 1.00 0.00 C ATOM 219 O GLY A 14 -5.486 6.601 -1.583 1.00 0.00 O ATOM 0 H GLY A 14 -8.012 3.283 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.843 5.199 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.871 6.156 -0.691 1.00 0.00 H new ATOM 223 N ASP A 15 -5.131 4.456 -1.034 1.00 0.00 N ATOM 224 CA ASP A 15 -3.676 4.587 -1.136 1.00 0.00 C ATOM 225 C ASP A 15 -3.219 4.729 -2.579 1.00 0.00 C ATOM 226 O ASP A 15 -4.023 4.889 -3.498 1.00 0.00 O ATOM 227 CB ASP A 15 -2.962 3.393 -0.506 1.00 0.00 C ATOM 228 CG ASP A 15 -2.638 3.606 0.954 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.163 4.566 1.559 1.00 0.00 O ATOM 230 OD2 ASP A 15 -1.856 2.805 1.506 1.00 0.00 O ATOM 0 H ASP A 15 -5.461 3.526 -0.776 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.413 5.494 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.588 2.506 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.040 3.197 -1.053 1.00 0.00 H new ATOM 235 N ARG A 16 -1.914 4.659 -2.765 1.00 0.00 N ATOM 236 CA ARG A 16 -1.320 4.771 -4.086 1.00 0.00 C ATOM 237 C ARG A 16 -0.441 3.559 -4.353 1.00 0.00 C ATOM 238 O ARG A 16 0.704 3.500 -3.895 1.00 0.00 O ATOM 239 CB ARG A 16 -0.482 6.052 -4.196 1.00 0.00 C ATOM 240 CG ARG A 16 -1.183 7.298 -3.673 1.00 0.00 C ATOM 241 CD ARG A 16 -0.307 8.535 -3.827 1.00 0.00 C ATOM 242 NE ARG A 16 -0.758 9.648 -2.983 1.00 0.00 N ATOM 243 CZ ARG A 16 -0.642 9.671 -1.651 1.00 0.00 C ATOM 244 NH1 ARG A 16 -0.067 8.658 -1.017 1.00 0.00 N ATOM 245 NH2 ARG A 16 -1.092 10.713 -0.956 1.00 0.00 N ATOM 0 H ARG A 16 -1.240 4.524 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.119 4.815 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.449 5.913 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.214 6.210 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.119 7.444 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.438 7.160 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.722 8.282 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.308 8.850 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.186 10.453 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.287 7.861 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.021 8.676 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.528 11.499 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.001 10.726 0.060 1.00 0.00 H new ATOM 259 N VAL A 17 -0.984 2.591 -5.078 1.00 0.00 N ATOM 260 CA VAL A 17 -0.254 1.372 -5.397 1.00 0.00 C ATOM 261 C VAL A 17 0.932 1.668 -6.306 1.00 0.00 C ATOM 262 O VAL A 17 0.835 2.458 -7.248 1.00 0.00 O ATOM 263 CB VAL A 17 -1.171 0.309 -6.046 1.00 0.00 C ATOM 264 CG1 VAL A 17 -1.860 0.855 -7.288 1.00 0.00 C ATOM 265 CG2 VAL A 17 -0.395 -0.961 -6.375 1.00 0.00 C ATOM 0 H VAL A 17 -1.930 2.627 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 17 0.118 0.966 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.942 0.056 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.497 0.083 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.469 1.718 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.109 1.156 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.066 -1.690 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.410 -0.725 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.026 -1.377 -5.460 1.00 0.00 H new ATOM 275 N ARG A 18 2.049 1.036 -6.004 1.00 0.00 N ATOM 276 CA ARG A 18 3.264 1.217 -6.775 1.00 0.00 C ATOM 277 C ARG A 18 3.665 -0.071 -7.468 1.00 0.00 C ATOM 278 O ARG A 18 4.156 -0.049 -8.596 1.00 0.00 O ATOM 279 CB ARG A 18 4.402 1.735 -5.892 1.00 0.00 C ATOM 280 CG ARG A 18 4.471 3.255 -5.824 1.00 0.00 C ATOM 281 CD ARG A 18 5.133 3.850 -7.066 1.00 0.00 C ATOM 282 NE ARG A 18 4.459 3.467 -8.312 1.00 0.00 N ATOM 283 CZ ARG A 18 3.264 3.925 -8.699 1.00 0.00 C ATOM 284 NH1 ARG A 18 2.639 4.858 -7.989 1.00 0.00 N ATOM 285 NH2 ARG A 18 2.706 3.453 -9.808 1.00 0.00 N ATOM 0 H ARG A 18 2.141 0.387 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 18 3.064 1.965 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.279 1.339 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.349 1.352 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.464 3.660 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.029 3.554 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.140 4.937 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.173 3.526 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 18 4.935 2.806 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.071 5.229 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.728 5.203 -8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.189 2.744 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.794 3.799 -10.107 1.00 0.00 H new ATOM 299 N GLY A 19 3.444 -1.186 -6.796 1.00 0.00 N ATOM 300 CA GLY A 19 3.779 -2.470 -7.373 1.00 0.00 C ATOM 301 C GLY A 19 3.429 -3.620 -6.457 1.00 0.00 C ATOM 302 O GLY A 19 2.609 -3.472 -5.553 1.00 0.00 O ATOM 0 H GLY A 19 3.039 -1.227 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.252 -2.589 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.845 -2.498 -7.596 1.00 0.00 H new ATOM 306 N THR A 20 4.051 -4.763 -6.689 1.00 0.00 N ATOM 307 CA THR A 20 3.809 -5.947 -5.884 1.00 0.00 C ATOM 308 C THR A 20 4.860 -6.086 -4.790 1.00 0.00 C ATOM 309 O THR A 20 6.004 -5.670 -4.963 1.00 0.00 O ATOM 310 CB THR A 20 3.809 -7.213 -6.757 1.00 0.00 C ATOM 311 OG1 THR A 20 4.917 -7.172 -7.667 1.00 0.00 O ATOM 312 CG2 THR A 20 2.507 -7.337 -7.536 1.00 0.00 C ATOM 0 H THR A 20 4.733 -4.896 -7.435 1.00 0.00 H new ATOM 0 HA THR A 20 2.828 -5.834 -5.422 1.00 0.00 H new ATOM 0 HB THR A 20 3.902 -8.081 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.916 -7.981 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.532 -8.240 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.670 -7.392 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.385 -6.467 -8.181 1.00 0.00 H new ATOM 320 N CYS A 21 4.469 -6.675 -3.672 1.00 0.00 N ATOM 321 CA CYS A 21 5.381 -6.875 -2.557 1.00 0.00 C ATOM 322 C CYS A 21 5.773 -8.341 -2.464 1.00 0.00 C ATOM 323 O CYS A 21 6.948 -8.681 -2.346 1.00 0.00 O ATOM 324 CB CYS A 21 4.723 -6.424 -1.256 1.00 0.00 C ATOM 325 SG CYS A 21 5.716 -6.731 0.238 1.00 0.00 S ATOM 0 H CYS A 21 3.524 -7.024 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 21 6.279 -6.279 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.510 -5.357 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.766 -6.935 -1.152 1.00 0.00 H new ATOM 330 N GLY A 22 4.772 -9.203 -2.531 1.00 0.00 N ATOM 331 CA GLY A 22 5.016 -10.627 -2.462 1.00 0.00 C ATOM 332 C GLY A 22 3.768 -11.427 -2.754 1.00 0.00 C ATOM 333 O GLY A 22 2.853 -10.933 -3.417 1.00 0.00 O ATOM 0 H GLY A 22 3.791 -8.941 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.795 -10.897 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.388 -10.884 -1.470 1.00 0.00 H new ATOM 337 N ILE A 23 3.730 -12.658 -2.257 1.00 0.00 N ATOM 338 CA ILE A 23 2.589 -13.545 -2.462 1.00 0.00 C ATOM 339 C ILE A 23 1.314 -12.973 -1.844 1.00 0.00 C ATOM 340 O ILE A 23 1.045 -13.161 -0.661 1.00 0.00 O ATOM 341 CB ILE A 23 2.858 -14.960 -1.897 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.474 -14.881 -0.493 1.00 0.00 C ATOM 343 CG2 ILE A 23 3.764 -15.739 -2.840 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.664 -16.231 0.167 1.00 0.00 C ATOM 0 H ILE A 23 4.483 -13.068 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 23 2.446 -13.625 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 23 1.906 -15.485 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.439 -14.379 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.836 -14.264 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.946 -16.733 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.284 -15.829 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.712 -15.213 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.103 -16.094 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.698 -16.727 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.327 -16.844 -0.443 1.00 0.00 H new ATOM 356 N ARG A 24 0.548 -12.266 -2.675 1.00 0.00 N ATOM 357 CA ARG A 24 -0.707 -11.625 -2.274 1.00 0.00 C ATOM 358 C ARG A 24 -0.441 -10.379 -1.432 1.00 0.00 C ATOM 359 O ARG A 24 -1.284 -9.966 -0.635 1.00 0.00 O ATOM 360 CB ARG A 24 -1.625 -12.590 -1.511 1.00 0.00 C ATOM 361 CG ARG A 24 -2.030 -13.818 -2.310 1.00 0.00 C ATOM 362 CD ARG A 24 -2.956 -14.720 -1.509 1.00 0.00 C ATOM 363 NE ARG A 24 -3.267 -15.968 -2.215 1.00 0.00 N ATOM 364 CZ ARG A 24 -2.393 -16.961 -2.408 1.00 0.00 C ATOM 365 NH1 ARG A 24 -1.164 -16.883 -1.904 1.00 0.00 N ATOM 366 NH2 ARG A 24 -2.757 -18.040 -3.094 1.00 0.00 N ATOM 0 H ARG A 24 0.783 -12.120 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.219 -11.329 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.120 -12.912 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.524 -12.055 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.527 -13.508 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.139 -14.375 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.492 -14.953 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.882 -14.187 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.211 -16.086 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.884 -16.062 -1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.502 -17.644 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.702 -18.109 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.091 -18.799 -3.242 1.00 0.00 H new ATOM 380 N PHE A 25 0.718 -9.758 -1.643 1.00 0.00 N ATOM 381 CA PHE A 25 1.070 -8.536 -0.933 1.00 0.00 C ATOM 382 C PHE A 25 1.373 -7.453 -1.950 1.00 0.00 C ATOM 383 O PHE A 25 2.040 -7.710 -2.955 1.00 0.00 O ATOM 384 CB PHE A 25 2.292 -8.712 -0.019 1.00 0.00 C ATOM 385 CG PHE A 25 2.070 -9.556 1.209 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.683 -10.881 1.110 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.262 -9.016 2.471 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.490 -11.651 2.241 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.071 -9.779 3.606 1.00 0.00 C ATOM 390 CZ PHE A 25 1.683 -11.100 3.491 1.00 0.00 C ATOM 0 H PHE A 25 1.427 -10.083 -2.300 1.00 0.00 H new ATOM 0 HA PHE A 25 0.224 -8.267 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.099 -9.156 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.632 -7.726 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.530 -11.319 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.565 -7.984 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.188 -12.684 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.225 -9.344 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.531 -11.699 4.377 1.00 0.00 H new ATOM 400 N LEU A 26 0.892 -6.256 -1.695 1.00 0.00 N ATOM 401 CA LEU A 26 1.117 -5.142 -2.596 1.00 0.00 C ATOM 402 C LEU A 26 1.991 -4.080 -1.962 1.00 0.00 C ATOM 403 O LEU A 26 2.021 -3.912 -0.742 1.00 0.00 O ATOM 404 CB LEU A 26 -0.203 -4.522 -3.043 1.00 0.00 C ATOM 405 CG LEU A 26 -0.965 -5.328 -4.089 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.352 -4.749 -4.301 1.00 0.00 C ATOM 407 CD2 LEU A 26 -0.196 -5.360 -5.403 1.00 0.00 C ATOM 0 H LEU A 26 0.340 -6.027 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 26 1.635 -5.539 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.841 -4.391 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.004 -3.528 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.070 -6.350 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.881 -5.337 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.905 -4.776 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.267 -3.717 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.755 -5.940 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.061 -4.343 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.779 -5.821 -5.243 1.00 0.00 H new ATOM 419 N TYR A 27 2.680 -3.363 -2.819 1.00 0.00 N ATOM 420 CA TYR A 27 3.556 -2.280 -2.413 1.00 0.00 C ATOM 421 C TYR A 27 2.860 -0.966 -2.746 1.00 0.00 C ATOM 422 O TYR A 27 2.701 -0.629 -3.925 1.00 0.00 O ATOM 423 CB TYR A 27 4.891 -2.394 -3.157 1.00 0.00 C ATOM 424 CG TYR A 27 5.957 -1.426 -2.697 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.357 -1.380 -1.368 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.569 -0.563 -3.597 1.00 0.00 C ATOM 427 CE1 TYR A 27 7.338 -0.501 -0.950 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.549 0.319 -3.187 1.00 0.00 C ATOM 429 CZ TYR A 27 7.930 0.346 -1.863 1.00 0.00 C ATOM 430 OH TYR A 27 8.906 1.229 -1.449 1.00 0.00 O ATOM 0 H TYR A 27 2.650 -3.514 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 27 3.762 -2.325 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.269 -3.410 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.713 -2.238 -4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.894 -2.041 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.273 -0.582 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.640 -0.478 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.014 0.984 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 27 9.390 0.848 -0.687 1.00 0.00 H new ATOM 440 N CYS A 28 2.408 -0.245 -1.724 1.00 0.00 N ATOM 441 CA CYS A 28 1.687 1.003 -1.958 1.00 0.00 C ATOM 442 C CYS A 28 2.080 2.083 -0.959 1.00 0.00 C ATOM 443 O CYS A 28 2.492 1.793 0.162 1.00 0.00 O ATOM 444 CB CYS A 28 0.176 0.783 -1.834 1.00 0.00 C ATOM 445 SG CYS A 28 -0.394 -0.901 -2.243 1.00 0.00 S ATOM 0 H CYS A 28 2.525 -0.497 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 28 1.950 1.327 -2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.127 1.015 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.334 1.492 -2.487 1.00 0.00 H new ATOM 450 N CYS A 29 1.900 3.326 -1.368 1.00 0.00 N ATOM 451 CA CYS A 29 2.176 4.474 -0.515 1.00 0.00 C ATOM 452 C CYS A 29 0.868 4.984 0.074 1.00 0.00 C ATOM 453 O CYS A 29 -0.096 5.214 -0.662 1.00 0.00 O ATOM 454 CB CYS A 29 2.869 5.596 -1.297 1.00 0.00 C ATOM 455 SG CYS A 29 4.696 5.535 -1.284 1.00 0.00 S ATOM 0 H CYS A 29 1.559 3.571 -2.298 1.00 0.00 H new ATOM 0 HA CYS A 29 2.848 4.160 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.527 5.562 -2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.550 6.554 -0.887 1.00 0.00 H new ATOM 460 N PRO A 30 0.808 5.152 1.402 1.00 0.00 N ATOM 461 CA PRO A 30 -0.398 5.619 2.092 1.00 0.00 C ATOM 462 C PRO A 30 -0.841 7.005 1.655 1.00 0.00 C ATOM 463 O PRO A 30 -0.025 7.925 1.549 1.00 0.00 O ATOM 464 CB PRO A 30 0.007 5.646 3.569 1.00 0.00 C ATOM 465 CG PRO A 30 1.497 5.650 3.565 1.00 0.00 C ATOM 466 CD PRO A 30 1.906 4.885 2.341 1.00 0.00 C ATOM 0 HA PRO A 30 -1.245 4.968 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.388 6.530 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.383 4.778 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.885 6.668 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.891 5.183 4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.864 5.230 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.011 3.820 2.547 1.00 0.00 H new ATOM 474 N ARG A 31 -2.140 7.157 1.413 1.00 0.00 N ATOM 475 CA ARG A 31 -2.685 8.447 1.011 1.00 0.00 C ATOM 476 C ARG A 31 -2.500 9.440 2.144 1.00 0.00 C ATOM 477 O ARG A 31 -1.982 10.541 1.946 1.00 0.00 O ATOM 478 CB ARG A 31 -4.176 8.356 0.660 1.00 0.00 C ATOM 479 CG ARG A 31 -4.793 9.717 0.360 1.00 0.00 C ATOM 480 CD ARG A 31 -6.301 9.650 0.153 1.00 0.00 C ATOM 481 NE ARG A 31 -6.664 8.896 -1.043 1.00 0.00 N ATOM 482 CZ ARG A 31 -7.857 8.954 -1.635 1.00 0.00 C ATOM 483 NH1 ARG A 31 -8.809 9.748 -1.153 1.00 0.00 N ATOM 484 NH2 ARG A 31 -8.096 8.215 -2.714 1.00 0.00 N ATOM 0 H ARG A 31 -2.829 6.409 1.488 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.150 8.774 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.302 7.705 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.713 7.893 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.574 10.399 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.327 10.133 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.765 9.189 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.700 10.661 0.077 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.958 8.284 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.628 10.317 -0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.720 9.788 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.368 7.606 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.008 8.257 -3.169 1.00 0.00 H new ATOM 498 N ARG A 32 -2.918 9.010 3.326 1.00 0.00 N ATOM 499 CA ARG A 32 -2.821 9.790 4.544 1.00 0.00 C ATOM 500 C ARG A 32 -3.348 8.938 5.689 1.00 0.00 C ATOM 501 O ARG A 32 -3.540 9.469 6.801 1.00 0.00 O ATOM 502 CB ARG A 32 -3.618 11.100 4.439 1.00 0.00 C ATOM 503 CG ARG A 32 -5.120 10.904 4.295 1.00 0.00 C ATOM 504 CD ARG A 32 -5.877 11.660 5.375 1.00 0.00 C ATOM 505 NE ARG A 32 -5.447 11.254 6.711 1.00 0.00 N ATOM 506 CZ ARG A 32 -5.921 11.754 7.846 1.00 0.00 C ATOM 507 NH1 ARG A 32 -6.855 12.703 7.825 1.00 0.00 N ATOM 508 NH2 ARG A 32 -5.451 11.306 9.003 1.00 0.00 N ATOM 509 OXT ARG A 32 -3.597 7.733 5.446 1.00 0.00 O ATOM 0 H ARG A 32 -3.341 8.092 3.464 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.781 10.064 4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.425 11.702 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.253 11.667 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.442 11.248 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.359 9.842 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.719 12.731 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.947 11.481 5.265 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.729 10.533 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.210 13.050 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.215 13.083 8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.731 10.583 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.809 11.684 9.880 1.00 0.00 H new TER 523 ARG A 32