USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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 5 TYR OH : rot -72:sc= 2.19 USER MOD Set 1.2: A 12 LYS NZ :NH3+ 165:sc= 0.188 (180deg=-1.76!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= 1.08 (180deg=-0.409) USER MOD Single : A 10 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.86) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.556 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.506 10.844 3.142 1.00 0.00 N ATOM 2 CA GLY A 1 10.930 11.147 1.806 1.00 0.00 C ATOM 3 C GLY A 1 9.888 10.129 1.405 1.00 0.00 C ATOM 4 O GLY A 1 8.708 10.449 1.313 1.00 0.00 O ATOM 0 H1 GLY A 1 12.217 11.563 3.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.750 10.851 3.856 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.955 9.906 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.482 12.141 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.726 11.166 1.062 1.00 0.00 H new ATOM 10 N LEU A 2 10.319 8.892 1.193 1.00 0.00 N ATOM 11 CA LEU A 2 9.410 7.824 0.829 1.00 0.00 C ATOM 12 C LEU A 2 8.675 7.338 2.065 1.00 0.00 C ATOM 13 O LEU A 2 9.220 7.366 3.169 1.00 0.00 O ATOM 14 CB LEU A 2 10.153 6.651 0.172 1.00 0.00 C ATOM 15 CG LEU A 2 10.703 6.901 -1.242 1.00 0.00 C ATOM 16 CD1 LEU A 2 9.622 7.471 -2.148 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.918 7.819 -1.209 1.00 0.00 C ATOM 0 H LEU A 2 11.296 8.608 1.268 1.00 0.00 H new ATOM 0 HA LEU A 2 8.698 8.218 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.984 6.368 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.476 5.797 0.130 1.00 0.00 H new ATOM 0 HG LEU A 2 11.022 5.941 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.033 7.640 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.793 6.766 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.264 8.415 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.283 7.976 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.638 8.777 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.704 7.361 -0.608 1.00 0.00 H new ATOM 29 N LEU A 3 7.446 6.909 1.868 1.00 0.00 N ATOM 30 CA LEU A 3 6.611 6.415 2.958 1.00 0.00 C ATOM 31 C LEU A 3 5.678 5.325 2.453 1.00 0.00 C ATOM 32 O LEU A 3 4.523 5.223 2.855 1.00 0.00 O ATOM 33 CB LEU A 3 5.822 7.570 3.599 1.00 0.00 C ATOM 34 CG LEU A 3 5.344 8.674 2.642 1.00 0.00 C ATOM 35 CD1 LEU A 3 4.236 8.179 1.722 1.00 0.00 C ATOM 36 CD2 LEU A 3 4.874 9.887 3.430 1.00 0.00 C ATOM 0 H LEU A 3 6.993 6.890 0.954 1.00 0.00 H new ATOM 0 HA LEU A 3 7.253 5.983 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.951 7.152 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.446 8.028 4.367 1.00 0.00 H new ATOM 0 HG LEU A 3 6.190 8.960 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.924 8.987 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.604 7.344 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.386 7.851 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.538 10.661 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.049 9.600 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.697 10.270 4.033 1.00 0.00 H new ATOM 48 N CYS A 4 6.213 4.507 1.571 1.00 0.00 N ATOM 49 CA CYS A 4 5.471 3.403 0.985 1.00 0.00 C ATOM 50 C CYS A 4 5.632 2.146 1.829 1.00 0.00 C ATOM 51 O CYS A 4 6.613 2.008 2.558 1.00 0.00 O ATOM 52 CB CYS A 4 5.958 3.149 -0.436 1.00 0.00 C ATOM 53 SG CYS A 4 5.836 4.598 -1.530 1.00 0.00 S ATOM 0 H CYS A 4 7.174 4.586 1.238 1.00 0.00 H new ATOM 0 HA CYS A 4 4.414 3.666 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.997 2.820 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.380 2.332 -0.867 1.00 0.00 H new ATOM 58 N TYR A 5 4.676 1.231 1.733 1.00 0.00 N ATOM 59 CA TYR A 5 4.737 0.004 2.495 1.00 0.00 C ATOM 60 C TYR A 5 4.009 -1.136 1.792 1.00 0.00 C ATOM 61 O TYR A 5 3.107 -0.925 0.973 1.00 0.00 O ATOM 62 CB TYR A 5 4.195 0.207 3.919 1.00 0.00 C ATOM 63 CG TYR A 5 2.884 0.971 4.017 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.727 0.520 3.390 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.808 2.139 4.767 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.537 1.215 3.502 1.00 0.00 C ATOM 67 CE2 TYR A 5 1.620 2.834 4.888 1.00 0.00 C ATOM 68 CZ TYR A 5 0.489 2.370 4.254 1.00 0.00 C ATOM 69 OH TYR A 5 -0.698 3.058 4.381 1.00 0.00 O ATOM 0 H TYR A 5 3.854 1.320 1.135 1.00 0.00 H new ATOM 0 HA TYR A 5 5.788 -0.277 2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.061 -0.771 4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.948 0.735 4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.759 -0.388 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.693 2.509 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.351 0.855 3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.579 3.738 5.478 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.911 3.502 3.534 1.00 0.00 H new ATOM 79 N CYS A 6 4.433 -2.338 2.127 1.00 0.00 N ATOM 80 CA CYS A 6 3.875 -3.563 1.578 1.00 0.00 C ATOM 81 C CYS A 6 2.605 -3.938 2.340 1.00 0.00 C ATOM 82 O CYS A 6 2.545 -3.785 3.561 1.00 0.00 O ATOM 83 CB CYS A 6 4.920 -4.681 1.680 1.00 0.00 C ATOM 84 SG CYS A 6 4.381 -6.305 1.055 1.00 0.00 S ATOM 0 H CYS A 6 5.185 -2.496 2.797 1.00 0.00 H new ATOM 0 HA CYS A 6 3.615 -3.417 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.811 -4.375 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.211 -4.790 2.725 1.00 0.00 H new ATOM 89 N ARG A 7 1.593 -4.411 1.629 1.00 0.00 N ATOM 90 CA ARG A 7 0.337 -4.782 2.261 1.00 0.00 C ATOM 91 C ARG A 7 -0.328 -5.938 1.523 1.00 0.00 C ATOM 92 O ARG A 7 -0.472 -5.912 0.304 1.00 0.00 O ATOM 93 CB ARG A 7 -0.606 -3.578 2.308 1.00 0.00 C ATOM 94 CG ARG A 7 -1.969 -3.900 2.891 1.00 0.00 C ATOM 95 CD ARG A 7 -2.854 -2.668 2.950 1.00 0.00 C ATOM 96 NE ARG A 7 -4.247 -3.008 3.242 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.687 -3.460 4.419 1.00 0.00 C ATOM 98 NH1 ARG A 7 -3.853 -3.580 5.448 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.967 -3.785 4.565 1.00 0.00 N ATOM 0 H ARG A 7 1.617 -4.547 0.618 1.00 0.00 H new ATOM 0 HA ARG A 7 0.553 -5.107 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.144 -2.787 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.734 -3.187 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.452 -4.668 2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.849 -4.312 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.479 -1.988 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.802 -2.138 1.999 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.930 -2.892 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.871 -3.326 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.195 -3.926 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.610 -3.689 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.306 -4.131 5.463 1.00 0.00 H new ATOM 113 N LYS A 8 -0.727 -6.948 2.280 1.00 0.00 N ATOM 114 CA LYS A 8 -1.378 -8.124 1.720 1.00 0.00 C ATOM 115 C LYS A 8 -2.792 -7.797 1.249 1.00 0.00 C ATOM 116 O LYS A 8 -3.521 -7.050 1.904 1.00 0.00 O ATOM 117 CB LYS A 8 -1.428 -9.242 2.766 1.00 0.00 C ATOM 118 CG LYS A 8 -1.771 -10.609 2.193 1.00 0.00 C ATOM 119 CD LYS A 8 -1.859 -11.662 3.285 1.00 0.00 C ATOM 120 CE LYS A 8 -1.966 -13.064 2.706 1.00 0.00 C ATOM 121 NZ LYS A 8 -0.711 -13.483 2.018 1.00 0.00 N ATOM 0 H LYS A 8 -0.610 -6.977 3.293 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.797 -8.455 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.462 -9.301 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.165 -8.982 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.721 -10.554 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.014 -10.900 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.978 -11.598 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.725 -11.461 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.194 -13.769 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.796 -13.102 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.915 -13.689 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.010 -12.717 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.332 -14.336 2.477 1.00 0.00 H new ATOM 135 N GLY A 9 -3.173 -8.369 0.116 1.00 0.00 N ATOM 136 CA GLY A 9 -4.495 -8.145 -0.424 1.00 0.00 C ATOM 137 C GLY A 9 -4.555 -6.960 -1.356 1.00 0.00 C ATOM 138 O GLY A 9 -4.408 -7.108 -2.568 1.00 0.00 O ATOM 0 H GLY A 9 -2.584 -8.988 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.820 -9.038 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.196 -7.992 0.396 1.00 0.00 H new ATOM 142 N HIS A 10 -4.771 -5.786 -0.786 1.00 0.00 N ATOM 143 CA HIS A 10 -4.859 -4.542 -1.550 1.00 0.00 C ATOM 144 C HIS A 10 -4.631 -3.349 -0.637 1.00 0.00 C ATOM 145 O HIS A 10 -4.776 -3.454 0.581 1.00 0.00 O ATOM 146 CB HIS A 10 -6.228 -4.382 -2.234 1.00 0.00 C ATOM 147 CG HIS A 10 -6.415 -5.214 -3.468 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.589 -5.131 -4.570 1.00 0.00 N ATOM 149 CD2 HIS A 10 -7.348 -6.149 -3.772 1.00 0.00 C ATOM 150 CE1 HIS A 10 -6.005 -5.975 -5.496 1.00 0.00 C ATOM 151 NE2 HIS A 10 -7.070 -6.606 -5.037 1.00 0.00 N ATOM 0 H HIS A 10 -4.891 -5.663 0.219 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.088 -4.586 -2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.009 -4.639 -1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.368 -3.333 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.159 -6.474 -3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.551 -6.124 -6.465 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.600 -7.317 -5.540 1.00 0.00 H new ATOM 160 N CYS A 11 -4.279 -2.223 -1.239 1.00 0.00 N ATOM 161 CA CYS A 11 -4.027 -0.985 -0.512 1.00 0.00 C ATOM 162 C CYS A 11 -5.283 -0.521 0.231 1.00 0.00 C ATOM 163 O CYS A 11 -6.393 -0.958 -0.077 1.00 0.00 O ATOM 164 CB CYS A 11 -3.580 0.099 -1.491 1.00 0.00 C ATOM 165 SG CYS A 11 -2.513 -0.506 -2.843 1.00 0.00 S ATOM 0 H CYS A 11 -4.159 -2.140 -2.249 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.242 -1.168 0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.463 0.569 -1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.045 0.872 -0.940 1.00 0.00 H new ATOM 170 N LYS A 12 -5.109 0.376 1.193 1.00 0.00 N ATOM 171 CA LYS A 12 -6.240 0.904 1.953 1.00 0.00 C ATOM 172 C LYS A 12 -6.785 2.142 1.260 1.00 0.00 C ATOM 173 O LYS A 12 -6.105 2.717 0.410 1.00 0.00 O ATOM 174 CB LYS A 12 -5.819 1.269 3.381 1.00 0.00 C ATOM 175 CG LYS A 12 -5.256 0.108 4.183 1.00 0.00 C ATOM 176 CD LYS A 12 -4.761 0.552 5.556 1.00 0.00 C ATOM 177 CE LYS A 12 -3.354 1.150 5.507 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.295 2.445 4.774 1.00 0.00 N ATOM 0 H LYS A 12 -4.201 0.753 1.466 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.009 0.133 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.071 2.061 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.682 1.676 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.024 -0.656 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.435 -0.350 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.451 1.289 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.766 -0.302 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.993 1.299 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.680 0.439 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.396 2.923 4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.361 2.268 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.087 3.049 5.073 1.00 0.00 H new ATOM 192 N ARG A 13 -7.994 2.567 1.628 1.00 0.00 N ATOM 193 CA ARG A 13 -8.578 3.764 1.032 1.00 0.00 C ATOM 194 C ARG A 13 -7.704 4.956 1.403 1.00 0.00 C ATOM 195 O ARG A 13 -7.764 5.467 2.521 1.00 0.00 O ATOM 196 CB ARG A 13 -10.028 3.979 1.508 1.00 0.00 C ATOM 197 CG ARG A 13 -10.821 4.989 0.672 1.00 0.00 C ATOM 198 CD ARG A 13 -10.304 6.412 0.848 1.00 0.00 C ATOM 199 NE ARG A 13 -10.750 7.316 -0.214 1.00 0.00 N ATOM 200 CZ ARG A 13 -10.123 8.456 -0.519 1.00 0.00 C ATOM 201 NH1 ARG A 13 -9.026 8.805 0.143 1.00 0.00 N ATOM 202 NH2 ARG A 13 -10.585 9.245 -1.484 1.00 0.00 N ATOM 0 H ARG A 13 -8.579 2.107 2.326 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.615 3.650 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.549 3.022 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.012 4.316 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.765 4.711 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.872 4.948 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.638 6.798 1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.214 6.397 0.872 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.581 7.063 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.664 8.203 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.546 9.675 -0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.425 8.982 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.099 10.113 -1.709 1.00 0.00 H new ATOM 216 N GLY A 14 -6.871 5.362 0.469 1.00 0.00 N ATOM 217 CA GLY A 14 -5.964 6.456 0.706 1.00 0.00 C ATOM 218 C GLY A 14 -4.603 6.138 0.145 1.00 0.00 C ATOM 219 O GLY A 14 -3.867 7.027 -0.286 1.00 0.00 O ATOM 0 H GLY A 14 -6.806 4.948 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.351 7.365 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.888 6.649 1.776 1.00 0.00 H new ATOM 223 N ASP A 15 -4.276 4.856 0.133 1.00 0.00 N ATOM 224 CA ASP A 15 -3.013 4.403 -0.402 1.00 0.00 C ATOM 225 C ASP A 15 -3.132 4.285 -1.907 1.00 0.00 C ATOM 226 O ASP A 15 -4.230 4.307 -2.461 1.00 0.00 O ATOM 227 CB ASP A 15 -2.615 3.040 0.162 1.00 0.00 C ATOM 228 CG ASP A 15 -2.616 2.966 1.672 1.00 0.00 C ATOM 229 OD1 ASP A 15 -2.065 3.870 2.325 1.00 0.00 O ATOM 230 OD2 ASP A 15 -3.147 1.976 2.215 1.00 0.00 O ATOM 0 H ASP A 15 -4.874 4.111 0.491 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.249 5.128 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.298 2.285 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.619 2.786 -0.202 1.00 0.00 H new ATOM 235 N ARG A 16 -2.004 4.139 -2.556 1.00 0.00 N ATOM 236 CA ARG A 16 -1.962 3.990 -3.999 1.00 0.00 C ATOM 237 C ARG A 16 -0.957 2.914 -4.364 1.00 0.00 C ATOM 238 O ARG A 16 0.201 2.971 -3.947 1.00 0.00 O ATOM 239 CB ARG A 16 -1.610 5.319 -4.672 1.00 0.00 C ATOM 240 CG ARG A 16 -2.736 6.339 -4.609 1.00 0.00 C ATOM 241 CD ARG A 16 -2.310 7.688 -5.165 1.00 0.00 C ATOM 242 NE ARG A 16 -3.413 8.658 -5.185 1.00 0.00 N ATOM 243 CZ ARG A 16 -4.022 9.143 -4.094 1.00 0.00 C ATOM 244 NH1 ARG A 16 -3.669 8.740 -2.882 1.00 0.00 N ATOM 245 NH2 ARG A 16 -4.999 10.031 -4.210 1.00 0.00 N ATOM 0 H ARG A 16 -1.089 4.119 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.947 3.692 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.723 5.737 -4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.354 5.134 -5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.593 5.969 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.060 6.458 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.492 8.084 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.927 7.556 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.739 8.986 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.925 8.052 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.142 9.118 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.292 10.349 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.458 10.396 -3.376 1.00 0.00 H new ATOM 259 N VAL A 17 -1.418 1.922 -5.107 1.00 0.00 N ATOM 260 CA VAL A 17 -0.577 0.806 -5.504 1.00 0.00 C ATOM 261 C VAL A 17 0.466 1.216 -6.534 1.00 0.00 C ATOM 262 O VAL A 17 0.182 1.946 -7.484 1.00 0.00 O ATOM 263 CB VAL A 17 -1.422 -0.373 -6.045 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.308 0.066 -7.201 1.00 0.00 C ATOM 265 CG2 VAL A 17 -0.534 -1.541 -6.459 1.00 0.00 C ATOM 0 H VAL A 17 -2.377 1.867 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.053 0.477 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.070 -0.710 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.888 -0.785 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.985 0.851 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.687 0.447 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.155 -2.354 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.152 -1.217 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.036 -1.888 -5.597 1.00 0.00 H new ATOM 275 N ARG A 18 1.672 0.724 -6.329 1.00 0.00 N ATOM 276 CA ARG A 18 2.783 0.994 -7.221 1.00 0.00 C ATOM 277 C ARG A 18 3.350 -0.310 -7.751 1.00 0.00 C ATOM 278 O ARG A 18 3.898 -0.360 -8.849 1.00 0.00 O ATOM 279 CB ARG A 18 3.874 1.798 -6.516 1.00 0.00 C ATOM 280 CG ARG A 18 3.554 3.277 -6.395 1.00 0.00 C ATOM 281 CD ARG A 18 4.655 4.020 -5.662 1.00 0.00 C ATOM 282 NE ARG A 18 5.959 3.861 -6.305 1.00 0.00 N ATOM 283 CZ ARG A 18 7.110 4.253 -5.756 1.00 0.00 C ATOM 284 NH1 ARG A 18 7.121 4.776 -4.533 1.00 0.00 N ATOM 285 NH2 ARG A 18 8.250 4.104 -6.424 1.00 0.00 N ATOM 0 H ARG A 18 1.910 0.125 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 18 2.414 1.590 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.031 1.386 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.811 1.680 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.422 3.705 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.610 3.405 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.404 5.080 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.713 3.658 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 18 5.990 3.425 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.249 4.878 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.002 5.075 -4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.245 3.690 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.130 4.404 -6.004 1.00 0.00 H new ATOM 299 N GLY A 19 3.212 -1.367 -6.963 1.00 0.00 N ATOM 300 CA GLY A 19 3.713 -2.662 -7.382 1.00 0.00 C ATOM 301 C GLY A 19 3.338 -3.764 -6.422 1.00 0.00 C ATOM 302 O GLY A 19 2.292 -3.709 -5.779 1.00 0.00 O ATOM 0 H GLY A 19 2.765 -1.353 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.321 -2.897 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.798 -2.616 -7.472 1.00 0.00 H new ATOM 306 N THR A 20 4.202 -4.755 -6.320 1.00 0.00 N ATOM 307 CA THR A 20 3.991 -5.885 -5.431 1.00 0.00 C ATOM 308 C THR A 20 5.212 -6.080 -4.543 1.00 0.00 C ATOM 309 O THR A 20 6.210 -5.375 -4.696 1.00 0.00 O ATOM 310 CB THR A 20 3.714 -7.175 -6.225 1.00 0.00 C ATOM 311 OG1 THR A 20 4.610 -7.262 -7.342 1.00 0.00 O ATOM 312 CG2 THR A 20 2.273 -7.214 -6.715 1.00 0.00 C ATOM 0 H THR A 20 5.072 -4.801 -6.851 1.00 0.00 H new ATOM 0 HA THR A 20 3.119 -5.671 -4.813 1.00 0.00 H new ATOM 0 HB THR A 20 3.875 -8.026 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.430 -8.085 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.103 -8.135 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.597 -7.177 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.086 -6.358 -7.363 1.00 0.00 H new ATOM 320 N CYS A 21 5.131 -7.012 -3.609 1.00 0.00 N ATOM 321 CA CYS A 21 6.247 -7.255 -2.701 1.00 0.00 C ATOM 322 C CYS A 21 6.352 -8.716 -2.295 1.00 0.00 C ATOM 323 O CYS A 21 7.425 -9.313 -2.356 1.00 0.00 O ATOM 324 CB CYS A 21 6.099 -6.379 -1.461 1.00 0.00 C ATOM 325 SG CYS A 21 4.371 -6.080 -0.961 1.00 0.00 S ATOM 0 H CYS A 21 4.317 -7.608 -3.457 1.00 0.00 H new ATOM 0 HA CYS A 21 7.165 -7.000 -3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.629 -6.848 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.583 -5.420 -1.647 1.00 0.00 H new ATOM 330 N GLY A 22 5.244 -9.282 -1.868 1.00 0.00 N ATOM 331 CA GLY A 22 5.250 -10.671 -1.439 1.00 0.00 C ATOM 332 C GLY A 22 4.094 -11.483 -1.991 1.00 0.00 C ATOM 333 O GLY A 22 3.384 -11.033 -2.893 1.00 0.00 O ATOM 0 H GLY A 22 4.339 -8.815 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.188 -11.134 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.220 -10.706 -0.350 1.00 0.00 H new ATOM 337 N ILE A 23 3.913 -12.686 -1.441 1.00 0.00 N ATOM 338 CA ILE A 23 2.847 -13.595 -1.866 1.00 0.00 C ATOM 339 C ILE A 23 1.465 -12.995 -1.621 1.00 0.00 C ATOM 340 O ILE A 23 0.898 -13.095 -0.525 1.00 0.00 O ATOM 341 CB ILE A 23 2.958 -14.969 -1.166 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.193 -14.801 0.341 1.00 0.00 C ATOM 343 CG2 ILE A 23 4.076 -15.788 -1.796 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.209 -16.108 1.107 1.00 0.00 C ATOM 0 H ILE A 23 4.498 -13.056 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 23 2.972 -13.744 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 23 2.016 -15.501 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.142 -14.288 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.413 -14.160 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.146 -16.754 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.863 -15.942 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.021 -15.255 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.380 -15.908 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.251 -16.614 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.007 -16.744 0.724 1.00 0.00 H new ATOM 356 N ARG A 24 0.947 -12.351 -2.661 1.00 0.00 N ATOM 357 CA ARG A 24 -0.347 -11.683 -2.627 1.00 0.00 C ATOM 358 C ARG A 24 -0.248 -10.421 -1.768 1.00 0.00 C ATOM 359 O ARG A 24 -1.203 -10.009 -1.106 1.00 0.00 O ATOM 360 CB ARG A 24 -1.458 -12.628 -2.139 1.00 0.00 C ATOM 361 CG ARG A 24 -2.866 -12.103 -2.381 1.00 0.00 C ATOM 362 CD ARG A 24 -3.931 -13.170 -2.145 1.00 0.00 C ATOM 363 NE ARG A 24 -4.208 -13.972 -3.347 1.00 0.00 N ATOM 364 CZ ARG A 24 -3.481 -15.018 -3.761 1.00 0.00 C ATOM 365 NH1 ARG A 24 -2.459 -15.462 -3.038 1.00 0.00 N ATOM 366 NH2 ARG A 24 -3.799 -15.635 -4.895 1.00 0.00 N ATOM 0 H ARG A 24 1.420 -12.278 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.620 -11.389 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.349 -13.590 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.326 -12.807 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.053 -11.255 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.943 -11.736 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.606 -13.830 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.852 -12.691 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.018 -13.711 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.221 -15.006 -2.157 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.912 -16.259 -3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.594 -15.311 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.248 -16.432 -5.214 1.00 0.00 H new ATOM 380 N PHE A 25 0.924 -9.796 -1.829 1.00 0.00 N ATOM 381 CA PHE A 25 1.185 -8.551 -1.122 1.00 0.00 C ATOM 382 C PHE A 25 1.504 -7.484 -2.156 1.00 0.00 C ATOM 383 O PHE A 25 2.293 -7.720 -3.079 1.00 0.00 O ATOM 384 CB PHE A 25 2.369 -8.645 -0.156 1.00 0.00 C ATOM 385 CG PHE A 25 2.156 -9.451 1.096 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.967 -10.819 1.042 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.186 -8.832 2.336 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.804 -11.555 2.200 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.028 -9.563 3.497 1.00 0.00 C ATOM 390 CZ PHE A 25 1.835 -10.927 3.429 1.00 0.00 C ATOM 0 H PHE A 25 1.717 -10.140 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 25 0.299 -8.314 -0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.215 -9.071 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.653 -7.633 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.946 -11.318 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.335 -7.764 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.652 -12.623 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.056 -9.068 4.456 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.709 -11.502 4.334 1.00 0.00 H new ATOM 400 N LEU A 26 0.897 -6.330 -2.005 1.00 0.00 N ATOM 401 CA LEU A 26 1.108 -5.231 -2.930 1.00 0.00 C ATOM 402 C LEU A 26 1.875 -4.094 -2.278 1.00 0.00 C ATOM 403 O LEU A 26 1.757 -3.844 -1.079 1.00 0.00 O ATOM 404 CB LEU A 26 -0.221 -4.699 -3.479 1.00 0.00 C ATOM 405 CG LEU A 26 -0.926 -5.585 -4.517 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.486 -6.850 -3.882 1.00 0.00 C ATOM 407 CD2 LEU A 26 -2.032 -4.805 -5.210 1.00 0.00 C ATOM 0 H LEU A 26 0.248 -6.123 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 26 1.699 -5.626 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.901 -4.544 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.041 -3.722 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.186 -5.886 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.978 -7.453 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.674 -7.423 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.208 -6.581 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.524 -5.444 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.761 -4.473 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.605 -3.938 -5.713 1.00 0.00 H new ATOM 419 N TYR A 27 2.643 -3.405 -3.095 1.00 0.00 N ATOM 420 CA TYR A 27 3.430 -2.267 -2.660 1.00 0.00 C ATOM 421 C TYR A 27 2.627 -1.001 -2.920 1.00 0.00 C ATOM 422 O TYR A 27 2.384 -0.646 -4.085 1.00 0.00 O ATOM 423 CB TYR A 27 4.752 -2.243 -3.433 1.00 0.00 C ATOM 424 CG TYR A 27 5.740 -1.192 -2.974 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.135 -1.108 -1.646 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.288 -0.295 -3.881 1.00 0.00 C ATOM 427 CE1 TYR A 27 7.050 -0.156 -1.235 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.200 0.661 -3.479 1.00 0.00 C ATOM 429 CZ TYR A 27 7.579 0.724 -2.156 1.00 0.00 C ATOM 430 OH TYR A 27 8.492 1.672 -1.751 1.00 0.00 O ATOM 0 H TYR A 27 2.741 -3.619 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 27 3.656 -2.336 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.222 -3.223 -3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.536 -2.081 -4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.722 -1.796 -0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.996 -0.346 -4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.349 -0.102 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.613 1.354 -4.197 1.00 0.00 H new ATOM 0 HH TYR A 27 8.767 2.211 -2.522 1.00 0.00 H new ATOM 440 N CYS A 28 2.193 -0.341 -1.847 1.00 0.00 N ATOM 441 CA CYS A 28 1.385 0.868 -1.973 1.00 0.00 C ATOM 442 C CYS A 28 1.984 2.025 -1.180 1.00 0.00 C ATOM 443 O CYS A 28 2.867 1.831 -0.342 1.00 0.00 O ATOM 444 CB CYS A 28 -0.043 0.622 -1.472 1.00 0.00 C ATOM 445 SG CYS A 28 -0.760 -0.990 -1.937 1.00 0.00 S ATOM 0 H CYS A 28 2.387 -0.622 -0.886 1.00 0.00 H new ATOM 0 HA CYS A 28 1.368 1.129 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.049 0.705 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.687 1.413 -1.856 1.00 0.00 H new ATOM 450 N CYS A 29 1.485 3.224 -1.447 1.00 0.00 N ATOM 451 CA CYS A 29 1.943 4.427 -0.762 1.00 0.00 C ATOM 452 C CYS A 29 0.749 5.290 -0.357 1.00 0.00 C ATOM 453 O CYS A 29 -0.088 5.630 -1.196 1.00 0.00 O ATOM 454 CB CYS A 29 2.866 5.244 -1.670 1.00 0.00 C ATOM 455 SG CYS A 29 4.120 4.262 -2.554 1.00 0.00 S ATOM 0 H CYS A 29 0.756 3.391 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 29 2.493 4.122 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.257 5.776 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.372 5.999 -1.068 1.00 0.00 H new ATOM 460 N PRO A 30 0.650 5.642 0.932 1.00 0.00 N ATOM 461 CA PRO A 30 -0.447 6.465 1.462 1.00 0.00 C ATOM 462 C PRO A 30 -0.394 7.912 0.970 1.00 0.00 C ATOM 463 O PRO A 30 0.678 8.446 0.682 1.00 0.00 O ATOM 464 CB PRO A 30 -0.231 6.418 2.977 1.00 0.00 C ATOM 465 CG PRO A 30 1.220 6.137 3.142 1.00 0.00 C ATOM 466 CD PRO A 30 1.596 5.249 1.990 1.00 0.00 C ATOM 0 HA PRO A 30 -1.418 6.090 1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.507 7.362 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.840 5.642 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.801 7.059 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.418 5.647 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.630 5.406 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.496 4.194 2.247 1.00 0.00 H new ATOM 474 N ARG A 31 -1.564 8.541 0.887 1.00 0.00 N ATOM 475 CA ARG A 31 -1.673 9.930 0.443 1.00 0.00 C ATOM 476 C ARG A 31 -3.087 10.462 0.676 1.00 0.00 C ATOM 477 O ARG A 31 -3.268 11.656 0.921 1.00 0.00 O ATOM 478 CB ARG A 31 -1.309 10.064 -1.041 1.00 0.00 C ATOM 479 CG ARG A 31 -1.314 11.503 -1.535 1.00 0.00 C ATOM 480 CD ARG A 31 -1.029 11.589 -3.027 1.00 0.00 C ATOM 481 NE ARG A 31 -1.018 12.973 -3.510 1.00 0.00 N ATOM 482 CZ ARG A 31 -0.061 13.865 -3.230 1.00 0.00 C ATOM 483 NH1 ARG A 31 0.998 13.509 -2.508 1.00 0.00 N ATOM 484 NH2 ARG A 31 -0.162 15.111 -3.686 1.00 0.00 N ATOM 0 H ARG A 31 -2.457 8.108 1.123 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.969 10.520 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.321 9.634 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.013 9.481 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.282 11.957 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.566 12.078 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.066 11.125 -3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.783 11.022 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.793 13.277 -4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.083 12.552 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.725 14.193 -2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.968 15.385 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.567 15.792 -3.474 1.00 0.00 H new ATOM 498 N ARG A 32 -4.068 9.555 0.578 1.00 0.00 N ATOM 499 CA ARG A 32 -5.499 9.853 0.742 1.00 0.00 C ATOM 500 C ARG A 32 -6.084 10.350 -0.572 1.00 0.00 C ATOM 501 O ARG A 32 -5.325 10.437 -1.560 1.00 0.00 O ATOM 502 CB ARG A 32 -5.798 10.863 1.868 1.00 0.00 C ATOM 503 CG ARG A 32 -5.684 10.294 3.279 1.00 0.00 C ATOM 504 CD ARG A 32 -4.244 10.282 3.772 1.00 0.00 C ATOM 505 NE ARG A 32 -3.664 11.628 3.797 1.00 0.00 N ATOM 506 CZ ARG A 32 -3.925 12.549 4.728 1.00 0.00 C ATOM 507 NH1 ARG A 32 -4.711 12.255 5.762 1.00 0.00 N ATOM 508 NH2 ARG A 32 -3.393 13.762 4.628 1.00 0.00 N ATOM 509 OXT ARG A 32 -7.304 10.606 -0.620 1.00 0.00 O ATOM 0 H ARG A 32 -3.886 8.572 0.378 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.973 8.917 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.113 11.705 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.806 11.255 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.296 10.886 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.081 9.279 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.206 9.852 4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.644 9.640 3.126 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.015 11.879 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.117 11.323 5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.907 12.962 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.786 13.989 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.592 14.466 5.339 1.00 0.00 H new TER 523 ARG A 32