USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=3 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.059) 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 -2.580 1.341 1.981 1.00 0.00 N ATOM 16 CA CYS A 2 -3.134 2.546 2.636 1.00 0.00 C ATOM 17 C CYS A 2 -2.616 2.739 4.072 1.00 0.00 C ATOM 18 O CYS A 2 -2.671 1.850 4.905 1.00 0.00 O ATOM 19 CB CYS A 2 -4.642 2.418 2.635 1.00 0.00 C ATOM 20 SG CYS A 2 -5.521 2.263 1.058 1.00 0.00 S ATOM 0 HA CYS A 2 -2.810 3.425 2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.897 1.547 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.045 3.291 3.149 1.00 0.00 H new ATOM 25 N ARG A 3 -2.129 3.935 4.274 1.00 0.00 N ATOM 26 CA ARG A 3 -1.563 4.387 5.575 1.00 0.00 C ATOM 27 C ARG A 3 -2.175 5.784 5.801 1.00 0.00 C ATOM 28 O ARG A 3 -2.727 6.383 4.894 1.00 0.00 O ATOM 29 CB ARG A 3 -0.026 4.506 5.453 1.00 0.00 C ATOM 30 CG ARG A 3 0.696 4.273 6.807 1.00 0.00 C ATOM 31 CD ARG A 3 1.979 5.140 6.897 1.00 0.00 C ATOM 32 NE ARG A 3 1.620 6.475 7.497 1.00 0.00 N ATOM 33 CZ ARG A 3 2.161 6.888 8.608 1.00 0.00 C ATOM 34 NH1 ARG A 3 3.453 6.822 8.706 1.00 0.00 N ATOM 35 NH2 ARG A 3 1.391 7.346 9.555 1.00 0.00 N ATOM 0 H ARG A 3 -2.101 4.652 3.549 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.783 3.699 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.335 3.782 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.230 5.495 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.025 4.519 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.954 3.219 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.730 4.641 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 3 2.413 5.276 5.907 1.00 0.00 H new ATOM 0 HE ARG A 3 0.939 7.068 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.005 6.457 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.916 7.135 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.380 7.377 9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.799 7.673 10.431 1.00 0.00 H new ATOM 49 N ARG A 4 -2.057 6.298 6.996 1.00 0.00 N ATOM 50 CA ARG A 4 -2.625 7.658 7.272 1.00 0.00 C ATOM 51 C ARG A 4 -1.389 8.548 7.404 1.00 0.00 C ATOM 52 O ARG A 4 -0.375 8.081 7.886 1.00 0.00 O ATOM 53 CB ARG A 4 -3.412 7.692 8.608 1.00 0.00 C ATOM 54 CG ARG A 4 -4.157 9.053 8.648 1.00 0.00 C ATOM 55 CD ARG A 4 -4.634 9.459 10.066 1.00 0.00 C ATOM 56 NE ARG A 4 -5.624 8.463 10.591 1.00 0.00 N ATOM 57 CZ ARG A 4 -6.824 8.855 10.890 1.00 0.00 C ATOM 58 NH1 ARG A 4 -6.996 9.430 12.037 1.00 0.00 N ATOM 59 NH2 ARG A 4 -7.763 8.648 10.018 1.00 0.00 N ATOM 0 H ARG A 4 -1.599 5.845 7.787 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.320 7.968 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.117 6.862 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.737 7.594 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.498 9.830 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.020 9.005 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.779 9.521 10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.088 10.450 10.034 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.357 7.486 10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.204 9.560 12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.924 9.753 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.545 8.191 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.719 8.943 10.218 1.00 0.00 H new ATOM 73 N LEU A 5 -1.486 9.778 6.986 1.00 0.00 N ATOM 74 CA LEU A 5 -0.359 10.736 7.063 1.00 0.00 C ATOM 75 C LEU A 5 -0.999 12.076 7.470 1.00 0.00 C ATOM 76 O LEU A 5 -2.154 12.288 7.152 1.00 0.00 O ATOM 77 CB LEU A 5 0.274 10.734 5.651 1.00 0.00 C ATOM 78 CG LEU A 5 0.825 12.110 5.287 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.080 12.451 6.056 1.00 0.00 C ATOM 80 CD2 LEU A 5 1.127 12.146 3.811 1.00 0.00 C ATOM 0 H LEU A 5 -2.336 10.169 6.579 1.00 0.00 H new ATOM 0 HA LEU A 5 0.428 10.508 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.076 9.997 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.473 10.433 4.916 1.00 0.00 H new ATOM 0 HG LEU A 5 0.067 12.848 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.431 13.440 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.864 12.447 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.852 11.712 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.521 13.127 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.865 11.381 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.213 11.957 3.248 1.00 0.00 H new ATOM 92 N CYS A 6 -0.278 12.943 8.133 1.00 0.00 N ATOM 93 CA CYS A 6 -0.880 14.245 8.530 1.00 0.00 C ATOM 94 C CYS A 6 -0.007 15.374 8.005 1.00 0.00 C ATOM 95 O CYS A 6 1.205 15.288 8.063 1.00 0.00 O ATOM 96 CB CYS A 6 -0.988 14.275 10.064 1.00 0.00 C ATOM 97 SG CYS A 6 -2.208 13.182 10.849 1.00 0.00 S ATOM 0 H CYS A 6 0.693 12.805 8.413 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.877 14.369 8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.008 14.031 10.474 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.213 15.298 10.364 1.00 0.00 H new ATOM 102 N TYR A 7 -0.631 16.411 7.521 1.00 0.00 N ATOM 103 CA TYR A 7 0.152 17.538 6.991 1.00 0.00 C ATOM 104 C TYR A 7 0.188 18.545 8.139 1.00 0.00 C ATOM 105 O TYR A 7 -0.569 19.493 8.176 1.00 0.00 O ATOM 106 CB TYR A 7 -0.566 18.086 5.739 1.00 0.00 C ATOM 107 CG TYR A 7 0.428 18.989 5.007 1.00 0.00 C ATOM 108 CD1 TYR A 7 0.713 20.258 5.476 1.00 0.00 C ATOM 109 CD2 TYR A 7 1.067 18.532 3.869 1.00 0.00 C ATOM 110 CE1 TYR A 7 1.623 21.050 4.819 1.00 0.00 C ATOM 111 CE2 TYR A 7 1.977 19.330 3.216 1.00 0.00 C ATOM 112 CZ TYR A 7 2.255 20.588 3.692 1.00 0.00 C ATOM 113 OH TYR A 7 3.166 21.386 3.046 1.00 0.00 O ATOM 0 H TYR A 7 -1.644 16.518 7.474 1.00 0.00 H new ATOM 0 HA TYR A 7 1.164 17.280 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.892 17.270 5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.458 18.645 6.021 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.218 20.628 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.850 17.544 3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.842 22.040 5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.473 18.967 2.328 1.00 0.00 H new ATOM 0 HH TYR A 7 3.523 20.910 2.267 1.00 0.00 H new ATOM 123 N LYS A 8 1.084 18.253 9.048 1.00 0.00 N ATOM 124 CA LYS A 8 1.368 19.050 10.302 1.00 0.00 C ATOM 125 C LYS A 8 0.241 19.937 10.886 1.00 0.00 C ATOM 126 O LYS A 8 0.494 20.908 11.573 1.00 0.00 O ATOM 127 CB LYS A 8 2.575 19.928 9.998 1.00 0.00 C ATOM 128 CG LYS A 8 3.816 19.068 9.605 1.00 0.00 C ATOM 129 CD LYS A 8 4.957 19.242 10.639 1.00 0.00 C ATOM 130 CE LYS A 8 4.514 18.723 12.026 1.00 0.00 C ATOM 131 NZ LYS A 8 5.608 18.946 13.024 1.00 0.00 N ATOM 0 H LYS A 8 1.680 17.429 8.969 1.00 0.00 H new ATOM 0 HA LYS A 8 1.516 18.304 11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.333 20.614 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.813 20.537 10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.531 18.018 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.168 19.361 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.842 18.700 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.235 20.294 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.608 19.238 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.273 17.661 11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.305 18.595 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.462 18.435 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.817 19.963 13.088 1.00 0.00 H new ATOM 145 N GLN A 9 -0.959 19.552 10.591 1.00 0.00 N ATOM 146 CA GLN A 9 -2.195 20.253 11.044 1.00 0.00 C ATOM 147 C GLN A 9 -3.343 19.370 10.553 1.00 0.00 C ATOM 148 O GLN A 9 -4.269 19.057 11.272 1.00 0.00 O ATOM 149 CB GLN A 9 -2.276 21.663 10.388 1.00 0.00 C ATOM 150 CG GLN A 9 -3.568 22.401 10.831 1.00 0.00 C ATOM 151 CD GLN A 9 -3.744 23.668 9.983 1.00 0.00 C ATOM 152 OE1 GLN A 9 -3.802 23.602 8.772 1.00 0.00 O ATOM 153 NE2 GLN A 9 -3.838 24.835 10.554 1.00 0.00 N ATOM 0 H GLN A 9 -1.149 18.729 10.019 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.222 20.400 12.124 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.402 22.251 10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.261 21.566 9.302 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.432 21.748 10.713 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.507 22.662 11.888 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.792 24.911 11.570 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.958 25.673 9.985 1.00 0.00 H new ATOM 162 N ARG A 10 -3.209 19.002 9.308 1.00 0.00 N ATOM 163 CA ARG A 10 -4.203 18.144 8.617 1.00 0.00 C ATOM 164 C ARG A 10 -3.774 16.692 8.729 1.00 0.00 C ATOM 165 O ARG A 10 -2.634 16.419 9.020 1.00 0.00 O ATOM 166 CB ARG A 10 -4.246 18.598 7.133 1.00 0.00 C ATOM 167 CG ARG A 10 -4.082 17.418 6.109 1.00 0.00 C ATOM 168 CD ARG A 10 -3.898 17.915 4.668 1.00 0.00 C ATOM 169 NE ARG A 10 -5.062 18.771 4.307 1.00 0.00 N ATOM 170 CZ ARG A 10 -4.852 19.958 3.833 1.00 0.00 C ATOM 171 NH1 ARG A 10 -4.676 20.069 2.550 1.00 0.00 N ATOM 172 NH2 ARG A 10 -4.828 20.951 4.668 1.00 0.00 N ATOM 0 H ARG A 10 -2.419 19.274 8.723 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.193 18.236 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.193 19.103 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.455 19.329 6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.223 16.810 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.959 16.773 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.971 18.481 4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.823 17.070 3.983 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.014 18.426 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.706 19.239 1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.508 20.986 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.972 20.784 5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.665 21.899 4.329 1.00 0.00 H new ATOM 186 N CYS A 11 -4.723 15.843 8.470 1.00 0.00 N ATOM 187 CA CYS A 11 -4.580 14.371 8.490 1.00 0.00 C ATOM 188 C CYS A 11 -5.441 13.787 7.369 1.00 0.00 C ATOM 189 O CYS A 11 -6.614 14.093 7.266 1.00 0.00 O ATOM 190 CB CYS A 11 -5.002 13.871 9.827 1.00 0.00 C ATOM 191 SG CYS A 11 -3.878 14.274 11.189 1.00 0.00 S ATOM 0 H CYS A 11 -5.667 16.143 8.226 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.547 14.067 8.324 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.986 14.279 10.056 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.111 12.788 9.775 1.00 0.00 H new ATOM 196 N VAL A 12 -4.803 12.980 6.567 1.00 0.00 N ATOM 197 CA VAL A 12 -5.424 12.299 5.410 1.00 0.00 C ATOM 198 C VAL A 12 -4.885 10.877 5.264 1.00 0.00 C ATOM 199 O VAL A 12 -4.059 10.423 6.029 1.00 0.00 O ATOM 200 CB VAL A 12 -5.105 13.113 4.140 1.00 0.00 C ATOM 201 CG1 VAL A 12 -6.150 14.190 3.969 1.00 0.00 C ATOM 202 CG2 VAL A 12 -3.722 13.721 4.211 1.00 0.00 C ATOM 0 H VAL A 12 -3.814 12.757 6.682 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.502 12.236 5.561 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.123 12.445 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.931 14.770 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.134 13.730 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.140 14.848 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.527 14.289 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.660 14.385 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.981 12.928 4.310 1.00 0.00 H new ATOM 212 N THR A 13 -5.381 10.216 4.258 1.00 0.00 N ATOM 213 CA THR A 13 -4.972 8.823 3.954 1.00 0.00 C ATOM 214 C THR A 13 -4.215 8.824 2.622 1.00 0.00 C ATOM 215 O THR A 13 -4.513 9.585 1.722 1.00 0.00 O ATOM 216 CB THR A 13 -6.247 8.008 3.899 1.00 0.00 C ATOM 217 OG1 THR A 13 -6.767 8.118 5.221 1.00 0.00 O ATOM 218 CG2 THR A 13 -5.966 6.537 3.724 1.00 0.00 C ATOM 0 H THR A 13 -6.075 10.598 3.615 1.00 0.00 H new ATOM 0 HA THR A 13 -4.306 8.394 4.703 1.00 0.00 H new ATOM 0 HB THR A 13 -6.884 8.354 3.085 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.607 7.617 5.285 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.907 5.988 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.420 6.379 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.368 6.179 4.562 1.00 0.00 H new ATOM 226 N TYR A 14 -3.251 7.949 2.579 1.00 0.00 N ATOM 227 CA TYR A 14 -2.361 7.741 1.423 1.00 0.00 C ATOM 228 C TYR A 14 -2.483 6.267 1.073 1.00 0.00 C ATOM 229 O TYR A 14 -2.141 5.450 1.906 1.00 0.00 O ATOM 230 CB TYR A 14 -0.952 8.100 1.880 1.00 0.00 C ATOM 231 CG TYR A 14 -0.464 9.494 1.440 1.00 0.00 C ATOM 232 CD1 TYR A 14 -1.275 10.616 1.445 1.00 0.00 C ATOM 233 CD2 TYR A 14 0.847 9.635 1.043 1.00 0.00 C ATOM 234 CE1 TYR A 14 -0.776 11.853 1.062 1.00 0.00 C ATOM 235 CE2 TYR A 14 1.342 10.864 0.663 1.00 0.00 C ATOM 236 CZ TYR A 14 0.542 11.990 0.666 1.00 0.00 C ATOM 237 OH TYR A 14 1.065 13.214 0.290 1.00 0.00 O ATOM 0 H TYR A 14 -3.039 7.331 3.362 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.606 8.347 0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.913 8.044 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.259 7.351 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.307 10.528 1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.496 8.772 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.423 12.717 1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.374 10.948 0.357 1.00 0.00 H new ATOM 0 HH TYR A 14 2.008 13.106 0.046 1.00 0.00 H new ATOM 247 N CYS A 15 -2.964 5.984 -0.099 1.00 0.00 N ATOM 248 CA CYS A 15 -3.114 4.581 -0.546 1.00 0.00 C ATOM 249 C CYS A 15 -2.207 4.608 -1.746 1.00 0.00 C ATOM 250 O CYS A 15 -2.434 5.382 -2.656 1.00 0.00 O ATOM 251 CB CYS A 15 -4.554 4.285 -0.952 1.00 0.00 C ATOM 252 SG CYS A 15 -5.774 4.151 0.380 1.00 0.00 S ATOM 0 H CYS A 15 -3.265 6.682 -0.779 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.879 3.824 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.882 5.070 -1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.562 3.351 -1.514 1.00 0.00 H new ATOM 257 N ARG A 16 -1.202 3.787 -1.722 1.00 0.00 N ATOM 258 CA ARG A 16 -0.275 3.775 -2.881 1.00 0.00 C ATOM 259 C ARG A 16 -0.719 2.760 -3.941 1.00 0.00 C ATOM 260 O ARG A 16 -1.378 1.773 -3.683 1.00 0.00 O ATOM 261 CB ARG A 16 1.130 3.415 -2.388 1.00 0.00 C ATOM 262 CG ARG A 16 2.172 3.889 -3.419 1.00 0.00 C ATOM 263 CD ARG A 16 3.582 3.683 -2.860 1.00 0.00 C ATOM 264 NE ARG A 16 4.529 4.280 -3.853 1.00 0.00 N ATOM 265 CZ ARG A 16 5.278 5.281 -3.504 1.00 0.00 C ATOM 266 NH1 ARG A 16 4.736 6.461 -3.470 1.00 0.00 N ATOM 267 NH2 ARG A 16 6.519 5.034 -3.209 1.00 0.00 N ATOM 0 H ARG A 16 -0.984 3.136 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.278 4.764 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.319 3.883 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.211 2.338 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.055 3.334 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.013 4.942 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.687 4.164 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.790 2.623 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 16 4.586 3.902 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.752 6.578 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.294 7.271 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.874 4.079 -3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.138 5.795 -2.930 1.00 0.00 H new