USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 134 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 7 TYR OH : rot 166:sc= 0.667 USER MOD Set 1.2: A 8 LYS NZ :NH3+ 125:sc= 1.88 (180deg=-0.339) USER MOD Single : A 9 GLN : amide:sc= -0.0575 K(o=-0.058,f=-1.7) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 2 -2.455 1.510 1.909 1.00 0.00 N ATOM 16 CA CYS A 2 -3.136 2.601 2.646 1.00 0.00 C ATOM 17 C CYS A 2 -2.619 2.739 4.081 1.00 0.00 C ATOM 18 O CYS A 2 -2.694 1.852 4.913 1.00 0.00 O ATOM 19 CB CYS A 2 -4.616 2.321 2.660 1.00 0.00 C ATOM 20 SG CYS A 2 -5.502 2.210 1.087 1.00 0.00 S ATOM 0 HA CYS A 2 -2.926 3.542 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.768 1.381 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.093 3.102 3.252 1.00 0.00 H new ATOM 25 N ARG A 3 -2.094 3.913 4.277 1.00 0.00 N ATOM 26 CA ARG A 3 -1.498 4.388 5.535 1.00 0.00 C ATOM 27 C ARG A 3 -2.053 5.782 5.858 1.00 0.00 C ATOM 28 O ARG A 3 -2.669 6.407 5.015 1.00 0.00 O ATOM 29 CB ARG A 3 -0.028 4.437 5.293 1.00 0.00 C ATOM 30 CG ARG A 3 0.244 5.179 3.936 1.00 0.00 C ATOM 31 CD ARG A 3 1.702 5.569 3.868 1.00 0.00 C ATOM 32 NE ARG A 3 1.935 6.588 4.947 1.00 0.00 N ATOM 33 CZ ARG A 3 2.736 6.339 5.939 1.00 0.00 C ATOM 34 NH1 ARG A 3 3.857 5.739 5.662 1.00 0.00 N ATOM 35 NH2 ARG A 3 2.376 6.697 7.138 1.00 0.00 N ATOM 0 H ARG A 3 -2.058 4.616 3.539 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.728 3.740 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.471 4.955 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.381 3.427 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.012 4.533 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.386 6.065 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.341 4.699 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 3 1.946 5.982 2.889 1.00 0.00 H new ATOM 0 HE ARG A 3 1.458 7.488 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.075 5.485 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.518 5.523 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.481 7.163 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.989 6.511 7.931 1.00 0.00 H new ATOM 49 N ARG A 4 -1.808 6.254 7.052 1.00 0.00 N ATOM 50 CA ARG A 4 -2.314 7.609 7.431 1.00 0.00 C ATOM 51 C ARG A 4 -1.077 8.512 7.584 1.00 0.00 C ATOM 52 O ARG A 4 0.021 8.026 7.801 1.00 0.00 O ATOM 53 CB ARG A 4 -3.078 7.549 8.791 1.00 0.00 C ATOM 54 CG ARG A 4 -3.966 8.823 8.897 1.00 0.00 C ATOM 55 CD ARG A 4 -4.319 9.221 10.358 1.00 0.00 C ATOM 56 NE ARG A 4 -5.217 8.200 10.990 1.00 0.00 N ATOM 57 CZ ARG A 4 -6.403 8.542 11.395 1.00 0.00 C ATOM 58 NH1 ARG A 4 -7.338 8.592 10.496 1.00 0.00 N ATOM 59 NH2 ARG A 4 -6.576 8.812 12.655 1.00 0.00 N ATOM 0 H ARG A 4 -1.283 5.765 7.777 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.002 7.986 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.692 6.650 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.374 7.504 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.450 9.655 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.889 8.658 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.405 9.319 10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.808 10.195 10.366 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.897 7.238 11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.124 8.368 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.287 8.855 10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.790 8.753 13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.498 9.083 12.997 1.00 0.00 H new ATOM 73 N LEU A 5 -1.301 9.792 7.438 1.00 0.00 N ATOM 74 CA LEU A 5 -0.213 10.811 7.570 1.00 0.00 C ATOM 75 C LEU A 5 -0.846 12.138 7.978 1.00 0.00 C ATOM 76 O LEU A 5 -2.041 12.301 7.821 1.00 0.00 O ATOM 77 CB LEU A 5 0.536 11.069 6.232 1.00 0.00 C ATOM 78 CG LEU A 5 -0.377 11.660 5.152 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.477 12.229 4.045 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.269 10.598 4.556 1.00 0.00 C ATOM 0 H LEU A 5 -2.218 10.185 7.227 1.00 0.00 H new ATOM 0 HA LEU A 5 0.497 10.429 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.369 11.749 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.961 10.132 5.871 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.995 12.432 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.164 12.652 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.123 13.009 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.090 11.437 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.906 11.044 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.655 9.818 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.891 10.164 5.339 1.00 0.00 H new ATOM 92 N CYS A 6 -0.063 13.055 8.475 1.00 0.00 N ATOM 93 CA CYS A 6 -0.637 14.363 8.867 1.00 0.00 C ATOM 94 C CYS A 6 0.233 15.406 8.217 1.00 0.00 C ATOM 95 O CYS A 6 1.443 15.265 8.208 1.00 0.00 O ATOM 96 CB CYS A 6 -0.648 14.440 10.391 1.00 0.00 C ATOM 97 SG CYS A 6 -1.827 13.315 11.199 1.00 0.00 S ATOM 0 H CYS A 6 0.941 12.953 8.624 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.667 14.513 8.542 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.354 14.221 10.760 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.880 15.463 10.688 1.00 0.00 H new ATOM 102 N TYR A 7 -0.368 16.446 7.692 1.00 0.00 N ATOM 103 CA TYR A 7 0.488 17.455 7.042 1.00 0.00 C ATOM 104 C TYR A 7 0.734 18.572 8.041 1.00 0.00 C ATOM 105 O TYR A 7 0.233 19.676 7.947 1.00 0.00 O ATOM 106 CB TYR A 7 -0.209 17.978 5.762 1.00 0.00 C ATOM 107 CG TYR A 7 0.873 18.760 5.034 1.00 0.00 C ATOM 108 CD1 TYR A 7 1.911 18.070 4.438 1.00 0.00 C ATOM 109 CD2 TYR A 7 0.850 20.138 4.987 1.00 0.00 C ATOM 110 CE1 TYR A 7 2.914 18.749 3.807 1.00 0.00 C ATOM 111 CE2 TYR A 7 1.861 20.816 4.351 1.00 0.00 C ATOM 112 CZ TYR A 7 2.892 20.119 3.765 1.00 0.00 C ATOM 113 OH TYR A 7 3.919 20.802 3.161 1.00 0.00 O ATOM 0 H TYR A 7 -1.372 16.627 7.689 1.00 0.00 H new ATOM 0 HA TYR A 7 1.445 17.027 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.585 17.157 5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.062 18.612 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.929 16.991 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.040 20.682 5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.724 18.207 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.847 21.895 4.311 1.00 0.00 H new ATOM 0 HH TYR A 7 3.654 21.735 3.023 1.00 0.00 H new ATOM 123 N LYS A 8 1.533 18.173 8.989 1.00 0.00 N ATOM 124 CA LYS A 8 1.988 19.024 10.140 1.00 0.00 C ATOM 125 C LYS A 8 0.899 19.886 10.803 1.00 0.00 C ATOM 126 O LYS A 8 1.191 20.793 11.557 1.00 0.00 O ATOM 127 CB LYS A 8 3.107 19.944 9.627 1.00 0.00 C ATOM 128 CG LYS A 8 4.175 19.143 8.807 1.00 0.00 C ATOM 129 CD LYS A 8 4.962 20.079 7.844 1.00 0.00 C ATOM 130 CE LYS A 8 3.992 20.697 6.794 1.00 0.00 C ATOM 131 NZ LYS A 8 4.754 21.451 5.742 1.00 0.00 N ATOM 0 H LYS A 8 1.917 17.228 9.017 1.00 0.00 H new ATOM 0 HA LYS A 8 2.316 18.335 10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.678 20.727 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.589 20.438 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.869 18.653 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.683 18.357 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.450 20.871 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.748 19.518 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.403 19.907 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.290 21.367 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.499 21.088 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.517 22.462 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.775 21.326 5.896 1.00 0.00 H new ATOM 145 N GLN A 9 -0.322 19.569 10.499 1.00 0.00 N ATOM 146 CA GLN A 9 -1.481 20.305 11.055 1.00 0.00 C ATOM 147 C GLN A 9 -2.692 19.388 10.863 1.00 0.00 C ATOM 148 O GLN A 9 -3.403 19.026 11.775 1.00 0.00 O ATOM 149 CB GLN A 9 -1.629 21.648 10.263 1.00 0.00 C ATOM 150 CG GLN A 9 -2.136 22.815 11.154 1.00 0.00 C ATOM 151 CD GLN A 9 -3.548 22.577 11.698 1.00 0.00 C ATOM 152 OE1 GLN A 9 -3.775 21.704 12.503 1.00 0.00 O ATOM 153 NE2 GLN A 9 -4.536 23.323 11.301 1.00 0.00 N ATOM 0 H GLN A 9 -0.571 18.807 9.869 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.373 20.555 12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.666 21.918 9.830 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.321 21.502 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.449 22.954 11.989 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.125 23.739 10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.373 24.067 10.623 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.474 23.164 11.668 1.00 0.00 H new ATOM 162 N ARG A 10 -2.878 19.012 9.633 1.00 0.00 N ATOM 163 CA ARG A 10 -4.002 18.141 9.263 1.00 0.00 C ATOM 164 C ARG A 10 -3.572 16.695 9.125 1.00 0.00 C ATOM 165 O ARG A 10 -2.398 16.424 9.193 1.00 0.00 O ATOM 166 CB ARG A 10 -4.486 18.701 7.988 1.00 0.00 C ATOM 167 CG ARG A 10 -3.552 18.394 6.838 1.00 0.00 C ATOM 168 CD ARG A 10 -4.224 17.415 5.899 1.00 0.00 C ATOM 169 NE ARG A 10 -3.222 17.145 4.823 1.00 0.00 N ATOM 170 CZ ARG A 10 -3.511 17.195 3.548 1.00 0.00 C ATOM 171 NH1 ARG A 10 -4.763 17.230 3.194 1.00 0.00 N ATOM 172 NH2 ARG A 10 -2.538 17.207 2.681 1.00 0.00 N ATOM 0 H ARG A 10 -2.278 19.284 8.854 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.781 18.121 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.475 18.298 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.596 19.781 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.298 19.311 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.619 17.974 7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.499 16.497 6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.141 17.834 5.485 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.268 16.911 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.494 17.218 3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.013 17.269 2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.570 17.178 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.745 17.246 1.683 1.00 0.00 H new ATOM 186 N CYS A 11 -4.534 15.845 8.910 1.00 0.00 N ATOM 187 CA CYS A 11 -4.333 14.390 8.744 1.00 0.00 C ATOM 188 C CYS A 11 -5.156 13.859 7.581 1.00 0.00 C ATOM 189 O CYS A 11 -6.292 14.248 7.392 1.00 0.00 O ATOM 190 CB CYS A 11 -4.692 13.768 10.053 1.00 0.00 C ATOM 191 SG CYS A 11 -3.607 14.258 11.423 1.00 0.00 S ATOM 0 H CYS A 11 -5.512 16.127 8.839 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.301 14.144 8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.719 14.036 10.302 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.662 12.683 9.949 1.00 0.00 H new ATOM 196 N VAL A 12 -4.528 12.991 6.840 1.00 0.00 N ATOM 197 CA VAL A 12 -5.115 12.345 5.652 1.00 0.00 C ATOM 198 C VAL A 12 -4.631 10.910 5.569 1.00 0.00 C ATOM 199 O VAL A 12 -3.857 10.459 6.392 1.00 0.00 O ATOM 200 CB VAL A 12 -4.666 13.112 4.392 1.00 0.00 C ATOM 201 CG1 VAL A 12 -5.646 14.219 4.096 1.00 0.00 C ATOM 202 CG2 VAL A 12 -3.265 13.656 4.574 1.00 0.00 C ATOM 0 H VAL A 12 -3.572 12.692 7.031 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.203 12.356 5.723 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.648 12.429 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.326 14.759 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.635 13.794 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.686 14.905 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.964 14.194 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.246 14.334 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.575 12.831 4.751 1.00 0.00 H new ATOM 212 N THR A 13 -5.107 10.252 4.554 1.00 0.00 N ATOM 213 CA THR A 13 -4.741 8.843 4.301 1.00 0.00 C ATOM 214 C THR A 13 -4.054 8.849 2.932 1.00 0.00 C ATOM 215 O THR A 13 -4.384 9.664 2.092 1.00 0.00 O ATOM 216 CB THR A 13 -6.021 8.029 4.272 1.00 0.00 C ATOM 217 OG1 THR A 13 -6.562 8.145 5.585 1.00 0.00 O ATOM 218 CG2 THR A 13 -5.750 6.557 4.088 1.00 0.00 C ATOM 0 H THR A 13 -5.753 10.648 3.872 1.00 0.00 H new ATOM 0 HA THR A 13 -4.085 8.413 5.058 1.00 0.00 H new ATOM 0 HB THR A 13 -6.658 8.384 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.400 7.640 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.694 6.012 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.225 6.399 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.135 6.195 4.912 1.00 0.00 H new ATOM 226 N TYR A 14 -3.122 7.963 2.741 1.00 0.00 N ATOM 227 CA TYR A 14 -2.386 7.854 1.466 1.00 0.00 C ATOM 228 C TYR A 14 -2.484 6.373 1.153 1.00 0.00 C ATOM 229 O TYR A 14 -2.138 5.575 2.003 1.00 0.00 O ATOM 230 CB TYR A 14 -0.936 8.271 1.689 1.00 0.00 C ATOM 231 CG TYR A 14 -0.597 9.666 1.100 1.00 0.00 C ATOM 232 CD1 TYR A 14 -1.370 10.777 1.388 1.00 0.00 C ATOM 233 CD2 TYR A 14 0.509 9.843 0.287 1.00 0.00 C ATOM 234 CE1 TYR A 14 -1.050 12.026 0.889 1.00 0.00 C ATOM 235 CE2 TYR A 14 0.824 11.098 -0.215 1.00 0.00 C ATOM 236 CZ TYR A 14 0.048 12.198 0.082 1.00 0.00 C ATOM 237 OH TYR A 14 0.354 13.447 -0.421 1.00 0.00 O ATOM 0 H TYR A 14 -2.833 7.286 3.447 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.773 8.482 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.728 8.277 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.279 7.526 1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.242 10.666 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.133 8.996 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.670 12.875 1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.691 11.215 -0.848 1.00 0.00 H new ATOM 0 HH TYR A 14 1.163 13.389 -0.971 1.00 0.00 H new ATOM 247 N CYS A 15 -2.945 6.056 -0.017 1.00 0.00 N ATOM 248 CA CYS A 15 -3.076 4.641 -0.430 1.00 0.00 C ATOM 249 C CYS A 15 -2.189 4.595 -1.644 1.00 0.00 C ATOM 250 O CYS A 15 -2.522 5.204 -2.642 1.00 0.00 O ATOM 251 CB CYS A 15 -4.526 4.312 -0.808 1.00 0.00 C ATOM 252 SG CYS A 15 -5.735 4.140 0.528 1.00 0.00 S ATOM 0 H CYS A 15 -3.243 6.733 -0.719 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.808 3.926 0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.881 5.093 -1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.520 3.381 -1.375 1.00 0.00 H new ATOM 257 N ARG A 16 -1.086 3.908 -1.544 1.00 0.00 N ATOM 258 CA ARG A 16 -0.219 3.864 -2.747 1.00 0.00 C ATOM 259 C ARG A 16 -0.738 2.725 -3.624 1.00 0.00 C ATOM 260 O ARG A 16 -1.343 1.772 -3.169 1.00 0.00 O ATOM 261 CB ARG A 16 1.234 3.586 -2.349 1.00 0.00 C ATOM 262 CG ARG A 16 2.119 3.776 -3.592 1.00 0.00 C ATOM 263 CD ARG A 16 3.587 3.571 -3.243 1.00 0.00 C ATOM 264 NE ARG A 16 4.342 4.323 -4.292 1.00 0.00 N ATOM 265 CZ ARG A 16 5.002 5.388 -3.943 1.00 0.00 C ATOM 266 NH1 ARG A 16 4.365 6.249 -3.205 1.00 0.00 N ATOM 267 NH2 ARG A 16 6.233 5.535 -4.334 1.00 0.00 N ATOM 0 H ARG A 16 -0.760 3.398 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.245 4.817 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.546 4.263 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.335 2.572 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.822 3.070 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.973 4.776 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.812 3.950 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.850 2.513 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 16 4.339 4.007 -5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.399 6.070 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.831 7.103 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.674 4.818 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.758 6.367 -4.065 1.00 0.00 H new