USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 137 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+ 136:sc= 0.588 (180deg=0.00716) USER MOD Single : A 9 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.014) 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 0.899 3.006 1.744 1.00 34.35 N ATOM 16 CA CYS A 2 1.253 3.594 3.030 1.00 1.14 C ATOM 17 C CYS A 2 0.151 4.528 3.521 1.00 60.13 C ATOM 18 O CYS A 2 -0.368 5.346 2.762 1.00 12.51 O ATOM 19 CB CYS A 2 2.573 4.358 2.919 1.00 61.14 C ATOM 20 SG CYS A 2 3.994 3.322 2.442 1.00 52.14 S ATOM 0 HA CYS A 2 1.369 2.786 3.752 1.00 1.14 H new ATOM 0 HB2 CYS A 2 2.458 5.157 2.187 1.00 61.14 H new ATOM 0 HB3 CYS A 2 2.788 4.832 3.877 1.00 61.14 H new ATOM 25 N ARG A 3 -0.199 4.401 4.797 1.00 52.34 N ATOM 26 CA ARG A 3 -1.240 5.233 5.391 1.00 73.24 C ATOM 27 C ARG A 3 -0.697 6.012 6.584 1.00 10.03 C ATOM 28 O ARG A 3 0.163 5.524 7.318 1.00 43.24 O ATOM 29 CB ARG A 3 -2.425 4.370 5.826 1.00 1.31 C ATOM 30 CG ARG A 3 -2.055 3.286 6.826 1.00 53.03 C ATOM 31 CD ARG A 3 -3.285 2.542 7.323 1.00 44.14 C ATOM 32 NE ARG A 3 -2.981 1.159 7.677 1.00 1.12 N ATOM 33 CZ ARG A 3 -2.235 0.815 8.722 1.00 52.12 C ATOM 34 NH1 ARG A 3 -1.720 1.748 9.509 1.00 32.04 N1+ ATOM 35 NH2 ARG A 3 -2.003 -0.466 8.980 1.00 23.32 N ATOM 0 H ARG A 3 0.223 3.730 5.439 1.00 52.34 H new ATOM 0 HA ARG A 3 -1.576 5.945 4.638 1.00 73.24 H new ATOM 0 HB2 ARG A 3 -3.189 5.012 6.265 1.00 1.31 H new ATOM 0 HB3 ARG A 3 -2.867 3.904 4.945 1.00 1.31 H new ATOM 0 HG2 ARG A 3 -1.365 2.581 6.361 1.00 53.03 H new ATOM 0 HG3 ARG A 3 -1.532 3.733 7.672 1.00 53.03 H new ATOM 0 HD2 ARG A 3 -3.694 3.057 8.192 1.00 44.14 H new ATOM 0 HD3 ARG A 3 -4.055 2.558 6.552 1.00 44.14 H new ATOM 0 HE ARG A 3 -3.362 0.416 7.091 1.00 1.12 H new ATOM 0 HH11 ARG A 3 -1.896 2.734 9.314 1.00 32.04 H new ATOM 0 HH12 ARG A 3 -1.148 1.481 10.310 1.00 32.04 H new ATOM 0 HH21 ARG A 3 -2.397 -1.187 8.376 1.00 23.32 H new ATOM 0 HH22 ARG A 3 -1.430 -0.729 9.782 1.00 23.32 H new ATOM 49 N ARG A 4 -1.204 7.226 6.772 1.00 4.43 N ATOM 50 CA ARG A 4 -0.770 8.073 7.876 1.00 11.42 C ATOM 51 C ARG A 4 -1.681 7.899 9.088 1.00 42.31 C ATOM 52 O ARG A 4 -2.905 7.977 8.972 1.00 75.25 O ATOM 53 CB ARG A 4 -0.753 9.541 7.444 1.00 40.44 C ATOM 54 CG ARG A 4 0.284 10.379 8.174 1.00 14.52 C ATOM 55 CD ARG A 4 0.075 11.864 7.927 1.00 32.45 C ATOM 56 NE ARG A 4 0.465 12.254 6.574 1.00 33.32 N ATOM 57 CZ ARG A 4 0.035 13.359 5.974 1.00 12.10 C ATOM 58 NH1 ARG A 4 -0.794 14.179 6.605 1.00 31.24 N1+ ATOM 59 NH2 ARG A 4 0.435 13.645 4.742 1.00 31.11 N ATOM 0 H ARG A 4 -1.916 7.645 6.174 1.00 4.43 H new ATOM 0 HA ARG A 4 0.239 7.771 8.156 1.00 11.42 H new ATOM 0 HB2 ARG A 4 -0.561 9.593 6.372 1.00 40.44 H new ATOM 0 HB3 ARG A 4 -1.740 9.972 7.612 1.00 40.44 H new ATOM 0 HG2 ARG A 4 0.230 10.176 9.244 1.00 14.52 H new ATOM 0 HG3 ARG A 4 1.283 10.091 7.845 1.00 14.52 H new ATOM 0 HD2 ARG A 4 -0.974 12.114 8.088 1.00 32.45 H new ATOM 0 HD3 ARG A 4 0.655 12.437 8.651 1.00 32.45 H new ATOM 0 HE ARG A 4 1.103 11.644 6.062 1.00 33.32 H new ATOM 0 HH11 ARG A 4 -1.103 13.962 7.553 1.00 31.24 H new ATOM 0 HH12 ARG A 4 -1.123 15.027 6.143 1.00 31.24 H new ATOM 0 HH21 ARG A 4 1.073 13.016 4.254 1.00 31.11 H new ATOM 0 HH22 ARG A 4 0.104 14.493 4.282 1.00 31.11 H new ATOM 73 N LEU A 5 -1.077 7.662 10.246 1.00 22.32 N ATOM 74 CA LEU A 5 -1.834 7.477 11.479 1.00 33.23 C ATOM 75 C LEU A 5 -1.599 8.636 12.442 1.00 72.14 C ATOM 76 O LEU A 5 -0.511 8.786 12.998 1.00 11.43 O ATOM 77 CB LEU A 5 -1.442 6.158 12.147 1.00 41.04 C ATOM 78 CG LEU A 5 -1.508 4.912 11.263 1.00 41.01 C ATOM 79 CD1 LEU A 5 -1.206 3.663 12.076 1.00 24.33 C ATOM 80 CD2 LEU A 5 -2.874 4.801 10.600 1.00 63.04 C ATOM 0 H LEU A 5 -0.065 7.593 10.358 1.00 22.32 H new ATOM 0 HA LEU A 5 -2.894 7.449 11.225 1.00 33.23 H new ATOM 0 HB2 LEU A 5 -0.425 6.255 12.528 1.00 41.04 H new ATOM 0 HB3 LEU A 5 -2.092 6.003 13.008 1.00 41.04 H new ATOM 0 HG LEU A 5 -0.753 5.004 10.483 1.00 41.01 H new ATOM 0 HD11 LEU A 5 -1.258 2.787 11.430 1.00 24.33 H new ATOM 0 HD12 LEU A 5 -0.206 3.740 12.503 1.00 24.33 H new ATOM 0 HD13 LEU A 5 -1.937 3.566 12.878 1.00 24.33 H new ATOM 0 HD21 LEU A 5 -2.903 3.909 9.975 1.00 63.04 H new ATOM 0 HD22 LEU A 5 -3.646 4.733 11.366 1.00 63.04 H new ATOM 0 HD23 LEU A 5 -3.052 5.682 9.984 1.00 63.04 H new ATOM 92 N CYS A 6 -2.629 9.454 12.637 1.00 74.14 N ATOM 93 CA CYS A 6 -2.537 10.600 13.534 1.00 74.53 C ATOM 94 C CYS A 6 -3.158 10.279 14.891 1.00 73.45 C ATOM 95 O CYS A 6 -4.286 9.791 14.970 1.00 1.44 O ATOM 96 CB CYS A 6 -3.233 11.814 12.917 1.00 44.15 C ATOM 97 SG CYS A 6 -2.527 12.345 11.324 1.00 30.40 S ATOM 0 H CYS A 6 -3.537 9.344 12.186 1.00 74.14 H new ATOM 0 HA CYS A 6 -1.482 10.831 13.682 1.00 74.53 H new ATOM 0 HB2 CYS A 6 -4.288 11.581 12.775 1.00 44.15 H new ATOM 0 HB3 CYS A 6 -3.182 12.645 13.620 1.00 44.15 H new ATOM 102 N TYR A 7 -2.414 10.556 15.956 1.00 23.41 N ATOM 103 CA TYR A 7 -2.890 10.296 17.310 1.00 24.13 C ATOM 104 C TYR A 7 -2.197 11.210 18.316 1.00 11.14 C ATOM 105 O TYR A 7 -0.974 11.347 18.309 1.00 61.52 O ATOM 106 CB TYR A 7 -2.651 8.832 17.684 1.00 63.54 C ATOM 107 CG TYR A 7 -3.114 8.481 19.080 1.00 73.13 C ATOM 108 CD1 TYR A 7 -2.357 7.650 19.896 1.00 54.14 C ATOM 109 CD2 TYR A 7 -4.309 8.981 19.583 1.00 2.44 C ATOM 110 CE1 TYR A 7 -2.777 7.326 21.171 1.00 43.42 C ATOM 111 CE2 TYR A 7 -4.736 8.664 20.858 1.00 62.43 C ATOM 112 CZ TYR A 7 -3.967 7.836 21.648 1.00 2.21 C ATOM 113 OH TYR A 7 -4.388 7.516 22.918 1.00 53.23 O ATOM 0 H TYR A 7 -1.479 10.961 15.908 1.00 23.41 H new ATOM 0 HA TYR A 7 -3.960 10.501 17.338 1.00 24.13 H new ATOM 0 HB2 TYR A 7 -3.168 8.194 16.967 1.00 63.54 H new ATOM 0 HB3 TYR A 7 -1.587 8.612 17.597 1.00 63.54 H new ATOM 0 HD1 TYR A 7 -1.424 7.250 19.527 1.00 54.14 H new ATOM 0 HD2 TYR A 7 -4.915 9.629 18.966 1.00 2.44 H new ATOM 0 HE1 TYR A 7 -2.177 6.677 21.792 1.00 43.42 H new ATOM 0 HE2 TYR A 7 -5.667 9.062 21.234 1.00 62.43 H new ATOM 0 HH TYR A 7 -5.244 7.957 23.100 1.00 53.23 H new ATOM 123 N LYS A 8 -2.988 11.834 19.181 1.00 41.53 N ATOM 124 CA LYS A 8 -2.454 12.734 20.196 1.00 63.51 C ATOM 125 C LYS A 8 -1.811 13.958 19.553 1.00 70.33 C ATOM 126 O LYS A 8 -0.629 14.229 19.762 1.00 3.23 O ATOM 127 CB LYS A 8 -1.429 12.003 21.067 1.00 13.03 C ATOM 128 CG LYS A 8 -1.887 10.629 21.524 1.00 4.42 C ATOM 129 CD LYS A 8 -1.463 10.348 22.955 1.00 55.04 C ATOM 130 CE LYS A 8 -0.030 9.844 23.023 1.00 12.35 C ATOM 131 NZ LYS A 8 0.066 8.398 22.678 1.00 34.54 N1+ ATOM 0 H LYS A 8 -4.003 11.733 19.200 1.00 41.53 H new ATOM 0 HA LYS A 8 -3.281 13.067 20.822 1.00 63.51 H new ATOM 0 HB2 LYS A 8 -0.499 11.899 20.509 1.00 13.03 H new ATOM 0 HB3 LYS A 8 -1.209 12.613 21.943 1.00 13.03 H new ATOM 0 HG2 LYS A 8 -2.972 10.561 21.445 1.00 4.42 H new ATOM 0 HG3 LYS A 8 -1.471 9.868 20.864 1.00 4.42 H new ATOM 0 HD2 LYS A 8 -1.559 11.257 23.549 1.00 55.04 H new ATOM 0 HD3 LYS A 8 -2.131 9.608 23.395 1.00 55.04 H new ATOM 0 HE2 LYS A 8 0.591 10.423 22.339 1.00 12.35 H new ATOM 0 HE3 LYS A 8 0.365 10.005 24.026 1.00 12.35 H new ATOM 0 HZ1 LYS A 8 0.874 8.246 22.042 1.00 34.54 H new ATOM 0 HZ2 LYS A 8 0.200 7.842 23.547 1.00 34.54 H new ATOM 0 HZ3 LYS A 8 -0.809 8.095 22.205 1.00 34.54 H new ATOM 145 N GLN A 9 -2.597 14.693 18.774 1.00 54.14 N ATOM 146 CA GLN A 9 -2.102 15.890 18.102 1.00 51.01 C ATOM 147 C GLN A 9 -0.803 15.599 17.358 1.00 1.21 C ATOM 148 O GLN A 9 0.077 16.455 17.268 1.00 11.21 O ATOM 149 CB GLN A 9 -1.884 17.015 19.115 1.00 42.33 C ATOM 150 CG GLN A 9 -3.012 17.154 20.124 1.00 4.11 C ATOM 151 CD GLN A 9 -4.373 17.268 19.466 1.00 52.13 C ATOM 152 OE1 GLN A 9 -5.194 16.353 19.548 1.00 42.25 O ATOM 153 NE2 GLN A 9 -4.620 18.394 18.808 1.00 70.13 N ATOM 0 H GLN A 9 -3.578 14.482 18.592 1.00 54.14 H new ATOM 0 HA GLN A 9 -2.851 16.205 17.376 1.00 51.01 H new ATOM 0 HB2 GLN A 9 -0.951 16.836 19.649 1.00 42.33 H new ATOM 0 HB3 GLN A 9 -1.769 17.957 18.579 1.00 42.33 H new ATOM 0 HG2 GLN A 9 -3.006 16.292 20.791 1.00 4.11 H new ATOM 0 HG3 GLN A 9 -2.836 18.035 20.741 1.00 4.11 H new ATOM 0 HE21 GLN A 9 -3.911 19.126 18.766 1.00 70.13 H new ATOM 0 HE22 GLN A 9 -5.519 18.527 18.345 1.00 70.13 H new ATOM 162 N ARG A 10 -0.690 14.385 16.828 1.00 53.34 N ATOM 163 CA ARG A 10 0.503 13.981 16.094 1.00 21.05 C ATOM 164 C ARG A 10 0.129 13.245 14.811 1.00 24.53 C ATOM 165 O ARG A 10 -0.987 12.742 14.675 1.00 72.10 O ATOM 166 CB ARG A 10 1.388 13.089 16.967 1.00 1.15 C ATOM 167 CG ARG A 10 1.808 13.742 18.274 1.00 61.15 C ATOM 168 CD ARG A 10 3.318 13.730 18.443 1.00 71.54 C ATOM 169 NE ARG A 10 3.714 13.851 19.844 1.00 44.34 N ATOM 170 CZ ARG A 10 4.954 13.648 20.277 1.00 53.30 C ATOM 171 NH1 ARG A 10 5.912 13.317 19.424 1.00 40.00 N1+ ATOM 172 NH2 ARG A 10 5.235 13.777 21.568 1.00 3.33 N ATOM 0 H ARG A 10 -1.410 13.665 16.893 1.00 53.34 H new ATOM 0 HA ARG A 10 1.057 14.881 15.828 1.00 21.05 H new ATOM 0 HB2 ARG A 10 0.853 12.165 17.187 1.00 1.15 H new ATOM 0 HB3 ARG A 10 2.280 12.814 16.404 1.00 1.15 H new ATOM 0 HG2 ARG A 10 1.446 14.770 18.301 1.00 61.15 H new ATOM 0 HG3 ARG A 10 1.343 13.218 19.109 1.00 61.15 H new ATOM 0 HD2 ARG A 10 3.721 12.805 18.031 1.00 71.54 H new ATOM 0 HD3 ARG A 10 3.753 14.550 17.871 1.00 71.54 H new ATOM 0 HE ARG A 10 3.000 14.105 20.527 1.00 44.34 H new ATOM 0 HH11 ARG A 10 5.699 13.217 18.431 1.00 40.00 H new ATOM 0 HH12 ARG A 10 6.863 13.162 19.760 1.00 40.00 H new ATOM 0 HH21 ARG A 10 4.499 14.032 22.227 1.00 3.33 H new ATOM 0 HH22 ARG A 10 6.187 13.621 21.901 1.00 3.33 H new ATOM 186 N CYS A 11 1.068 13.185 13.874 1.00 24.11 N ATOM 187 CA CYS A 11 0.837 12.511 12.602 1.00 74.44 C ATOM 188 C CYS A 11 2.112 11.832 12.106 1.00 73.45 C ATOM 189 O CYS A 11 3.177 12.449 12.056 1.00 10.15 O ATOM 190 CB CYS A 11 0.338 13.508 11.555 1.00 45.33 C ATOM 191 SG CYS A 11 -1.413 13.972 11.746 1.00 15.22 S ATOM 0 H CYS A 11 1.997 13.595 13.971 1.00 24.11 H new ATOM 0 HA CYS A 11 0.076 11.747 12.758 1.00 74.44 H new ATOM 0 HB2 CYS A 11 0.949 14.409 11.606 1.00 45.33 H new ATOM 0 HB3 CYS A 11 0.483 13.080 10.563 1.00 45.33 H new ATOM 196 N VAL A 12 1.995 10.559 11.742 1.00 3.14 N ATOM 197 CA VAL A 12 3.137 9.797 11.250 1.00 1.24 C ATOM 198 C VAL A 12 2.743 8.920 10.066 1.00 2.14 C ATOM 199 O VAL A 12 1.592 8.497 9.948 1.00 74.23 O ATOM 200 CB VAL A 12 3.737 8.909 12.355 1.00 11.21 C ATOM 201 CG1 VAL A 12 4.618 9.731 13.283 1.00 12.12 C ATOM 202 CG2 VAL A 12 2.633 8.211 13.135 1.00 10.21 C ATOM 0 H VAL A 12 1.121 10.034 11.778 1.00 3.14 H new ATOM 0 HA VAL A 12 3.886 10.521 10.929 1.00 1.24 H new ATOM 0 HB VAL A 12 4.358 8.146 11.886 1.00 11.21 H new ATOM 0 HG11 VAL A 12 5.033 9.086 14.057 1.00 12.12 H new ATOM 0 HG12 VAL A 12 5.430 10.180 12.711 1.00 12.12 H new ATOM 0 HG13 VAL A 12 4.023 10.518 13.747 1.00 12.12 H new ATOM 0 HG21 VAL A 12 3.075 7.587 13.912 1.00 10.21 H new ATOM 0 HG22 VAL A 12 1.984 8.957 13.594 1.00 10.21 H new ATOM 0 HG23 VAL A 12 2.048 7.588 12.459 1.00 10.21 H new ATOM 212 N THR A 13 3.706 8.651 9.191 1.00 51.45 N ATOM 213 CA THR A 13 3.461 7.824 8.015 1.00 5.21 C ATOM 214 C THR A 13 3.767 6.359 8.299 1.00 34.22 C ATOM 215 O THR A 13 4.817 6.029 8.852 1.00 63.31 O ATOM 216 CB THR A 13 4.306 8.290 6.815 1.00 54.02 C ATOM 217 OG1 THR A 13 3.974 9.641 6.477 1.00 12.43 O ATOM 218 CG2 THR A 13 4.077 7.390 5.610 1.00 53.31 C ATOM 0 H THR A 13 4.663 8.993 9.274 1.00 51.45 H new ATOM 0 HA THR A 13 2.404 7.930 7.769 1.00 5.21 H new ATOM 0 HB THR A 13 5.358 8.234 7.096 1.00 54.02 H new ATOM 0 HG1 THR A 13 4.517 9.930 5.714 1.00 12.43 H new ATOM 0 HG21 THR A 13 4.684 7.739 4.775 1.00 53.31 H new ATOM 0 HG22 THR A 13 4.358 6.367 5.861 1.00 53.31 H new ATOM 0 HG23 THR A 13 3.024 7.418 5.330 1.00 53.31 H new ATOM 226 N TYR A 14 2.844 5.482 7.919 1.00 40.31 N ATOM 227 CA TYR A 14 3.015 4.050 8.135 1.00 64.33 C ATOM 228 C TYR A 14 2.931 3.287 6.816 1.00 32.53 C ATOM 229 O TYR A 14 2.228 3.694 5.892 1.00 41.03 O ATOM 230 CB TYR A 14 1.955 3.529 9.107 1.00 72.52 C ATOM 231 CG TYR A 14 2.401 3.541 10.551 1.00 3.21 C ATOM 232 CD1 TYR A 14 2.668 4.737 11.206 1.00 45.41 C ATOM 233 CD2 TYR A 14 2.552 2.357 11.262 1.00 45.53 C ATOM 234 CE1 TYR A 14 3.076 4.753 12.526 1.00 11.30 C ATOM 235 CE2 TYR A 14 2.959 2.364 12.583 1.00 52.02 C ATOM 236 CZ TYR A 14 3.219 3.564 13.211 1.00 62.14 C ATOM 237 OH TYR A 14 3.624 3.575 14.525 1.00 32.23 O ATOM 0 H TYR A 14 1.970 5.738 7.460 1.00 40.31 H new ATOM 0 HA TYR A 14 4.003 3.888 8.566 1.00 64.33 H new ATOM 0 HB2 TYR A 14 1.054 4.135 9.008 1.00 72.52 H new ATOM 0 HB3 TYR A 14 1.686 2.511 8.827 1.00 72.52 H new ATOM 0 HD1 TYR A 14 2.555 5.670 10.674 1.00 45.41 H new ATOM 0 HD2 TYR A 14 2.348 1.415 10.774 1.00 45.53 H new ATOM 0 HE1 TYR A 14 3.282 5.692 13.019 1.00 11.30 H new ATOM 0 HE2 TYR A 14 3.073 1.434 13.121 1.00 52.02 H new ATOM 0 HH TYR A 14 3.673 2.655 14.860 1.00 32.23 H new ATOM 247 N CYS A 15 3.655 2.174 6.738 1.00 61.20 N ATOM 248 CA CYS A 15 3.663 1.351 5.534 1.00 31.52 C ATOM 249 C CYS A 15 3.553 -0.129 5.886 1.00 31.34 C ATOM 250 O CYS A 15 4.076 -0.575 6.908 1.00 2.31 O ATOM 251 CB CYS A 15 4.941 1.602 4.729 1.00 42.25 C ATOM 252 SG CYS A 15 5.155 3.329 4.193 1.00 63.15 S ATOM 0 H CYS A 15 4.243 1.822 7.494 1.00 61.20 H new ATOM 0 HA CYS A 15 2.799 1.627 4.929 1.00 31.52 H new ATOM 0 HB2 CYS A 15 5.801 1.311 5.333 1.00 42.25 H new ATOM 0 HB3 CYS A 15 4.936 0.958 3.850 1.00 42.25 H new ATOM 257 N ARG A 16 2.869 -0.885 5.034 1.00 21.00 N ATOM 258 CA ARG A 16 2.690 -2.315 5.255 1.00 21.34 C ATOM 259 C ARG A 16 4.033 -3.003 5.483 1.00 31.24 C ATOM 260 O ARG A 16 4.138 -3.933 6.283 1.00 44.23 O ATOM 261 CB ARG A 16 1.975 -2.952 4.063 1.00 0.01 C ATOM 262 CG ARG A 16 2.534 -2.521 2.717 1.00 33.34 C ATOM 263 CD ARG A 16 2.225 -3.542 1.633 1.00 61.15 C ATOM 264 NE ARG A 16 2.781 -3.154 0.340 1.00 4.22 N ATOM 265 CZ ARG A 16 4.073 -3.230 0.043 1.00 51.31 C ATOM 266 NH1 ARG A 16 4.939 -3.678 0.942 1.00 71.24 N1+ ATOM 267 NH2 ARG A 16 4.503 -2.856 -1.156 1.00 60.23 N ATOM 0 H ARG A 16 2.430 -0.531 4.184 1.00 21.00 H new ATOM 0 HA ARG A 16 2.079 -2.444 6.148 1.00 21.34 H new ATOM 0 HB2 ARG A 16 2.045 -4.037 4.145 1.00 0.01 H new ATOM 0 HB3 ARG A 16 0.916 -2.696 4.106 1.00 0.01 H new ATOM 0 HG2 ARG A 16 2.113 -1.555 2.439 1.00 33.34 H new ATOM 0 HG3 ARG A 16 3.613 -2.387 2.796 1.00 33.34 H new ATOM 0 HD2 ARG A 16 2.627 -4.512 1.924 1.00 61.15 H new ATOM 0 HD3 ARG A 16 1.145 -3.659 1.543 1.00 61.15 H new ATOM 0 HE ARG A 16 2.142 -2.805 -0.374 1.00 4.22 H new ATOM 0 HH11 ARG A 16 4.613 -3.965 1.865 1.00 71.24 H new ATOM 0 HH12 ARG A 16 5.931 -3.735 0.711 1.00 71.24 H new ATOM 0 HH21 ARG A 16 3.841 -2.510 -1.850 1.00 60.23 H new ATOM 0 HH22 ARG A 16 5.496 -2.915 -1.383 1.00 60.23 H new ATOM 281 N GLY A 17 5.057 -2.539 4.774 1.00 63.25 N ATOM 282 CA GLY A 17 6.379 -3.122 4.913 1.00 42.35 C ATOM 283 C GLY A 17 7.175 -2.494 6.039 1.00 12.44 C ATOM 284 O GLY A 17 8.265 -1.965 5.818 1.00 52.12 O ATOM 0 H GLY A 17 4.995 -1.770 4.106 1.00 63.25 H new ATOM 0 HA2 GLY A 17 6.283 -4.193 5.093 1.00 42.35 H new ATOM 0 HA3 GLY A 17 6.925 -3.004 3.977 1.00 42.35 H new