USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) 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 2.992 1.752 1.00 34.35 N ATOM 16 CA CYS A 2 1.252 3.582 3.038 1.00 1.14 C ATOM 17 C CYS A 2 0.152 4.520 3.526 1.00 60.13 C ATOM 18 O CYS A 2 -0.366 5.336 2.764 1.00 12.51 O ATOM 19 CB CYS A 2 2.574 4.342 2.929 1.00 61.14 C ATOM 20 SG CYS A 2 3.993 3.303 2.455 1.00 52.14 S ATOM 0 HA CYS A 2 1.364 2.774 3.761 1.00 1.14 H new ATOM 0 HB2 CYS A 2 2.462 5.141 2.196 1.00 61.14 H new ATOM 0 HB3 CYS A 2 2.788 4.816 3.887 1.00 61.14 H new ATOM 25 N ARG A 3 -0.201 4.396 4.802 1.00 52.34 N ATOM 26 CA ARG A 3 -1.241 5.232 5.391 1.00 73.24 C ATOM 27 C ARG A 3 -0.698 6.013 6.584 1.00 10.03 C ATOM 28 O ARG A 3 0.163 5.526 7.317 1.00 43.24 O ATOM 29 CB ARG A 3 -2.429 4.373 5.827 1.00 1.31 C ATOM 30 CG ARG A 3 -2.072 3.321 6.865 1.00 53.03 C ATOM 31 CD ARG A 3 -3.255 3.005 7.767 1.00 44.14 C ATOM 32 NE ARG A 3 -4.016 1.856 7.288 1.00 1.12 N ATOM 33 CZ ARG A 3 -5.269 1.600 7.651 1.00 52.12 C ATOM 34 NH1 ARG A 3 -5.897 2.409 8.493 1.00 32.04 N1+ ATOM 35 NH2 ARG A 3 -5.895 0.533 7.173 1.00 23.32 N ATOM 0 H ARG A 3 0.217 3.726 5.447 1.00 52.34 H new ATOM 0 HA ARG A 3 -1.574 5.943 4.635 1.00 73.24 H new ATOM 0 HB2 ARG A 3 -3.206 5.021 6.232 1.00 1.31 H new ATOM 0 HB3 ARG A 3 -2.850 3.879 4.951 1.00 1.31 H new ATOM 0 HG2 ARG A 3 -1.742 2.411 6.364 1.00 53.03 H new ATOM 0 HG3 ARG A 3 -1.236 3.673 7.469 1.00 53.03 H new ATOM 0 HD2 ARG A 3 -2.898 2.807 8.778 1.00 44.14 H new ATOM 0 HD3 ARG A 3 -3.909 3.875 7.825 1.00 44.14 H new ATOM 0 HE ARG A 3 -3.562 1.214 6.639 1.00 1.12 H new ATOM 0 HH11 ARG A 3 -5.419 3.230 8.864 1.00 32.04 H new ATOM 0 HH12 ARG A 3 -6.858 2.210 8.770 1.00 32.04 H new ATOM 0 HH21 ARG A 3 -5.415 -0.093 6.526 1.00 23.32 H new ATOM 0 HH22 ARG A 3 -6.856 0.338 7.452 1.00 23.32 H new ATOM 49 N ARG A 4 -1.208 7.225 6.773 1.00 4.43 N ATOM 50 CA ARG A 4 -0.774 8.073 7.877 1.00 11.42 C ATOM 51 C ARG A 4 -1.685 7.899 9.088 1.00 42.31 C ATOM 52 O ARG A 4 -2.909 7.977 8.973 1.00 75.25 O ATOM 53 CB ARG A 4 -0.758 9.541 7.444 1.00 40.44 C ATOM 54 CG ARG A 4 0.274 10.381 8.178 1.00 14.52 C ATOM 55 CD ARG A 4 0.056 11.867 7.937 1.00 32.45 C ATOM 56 NE ARG A 4 0.438 12.263 6.584 1.00 33.32 N ATOM 57 CZ ARG A 4 0.035 13.390 6.007 1.00 12.10 C ATOM 58 NH1 ARG A 4 -0.755 14.228 6.664 1.00 31.24 N1+ ATOM 59 NH2 ARG A 4 0.426 13.681 4.773 1.00 31.11 N ATOM 0 H ARG A 4 -1.922 7.642 6.176 1.00 4.43 H new ATOM 0 HA ARG A 4 0.235 7.772 8.158 1.00 11.42 H new ATOM 0 HB2 ARG A 4 -0.561 9.593 6.373 1.00 40.44 H new ATOM 0 HB3 ARG A 4 -1.746 9.970 7.608 1.00 40.44 H new ATOM 0 HG2 ARG A 4 0.221 10.173 9.247 1.00 14.52 H new ATOM 0 HG3 ARG A 4 1.274 10.101 7.848 1.00 14.52 H new ATOM 0 HD2 ARG A 4 -0.993 12.111 8.104 1.00 32.45 H new ATOM 0 HD3 ARG A 4 0.636 12.441 8.660 1.00 32.45 H new ATOM 0 HE ARG A 4 1.047 11.641 6.053 1.00 33.32 H new ATOM 0 HH11 ARG A 4 -1.054 14.008 7.614 1.00 31.24 H new ATOM 0 HH12 ARG A 4 -1.063 15.093 6.219 1.00 31.24 H new ATOM 0 HH21 ARG A 4 1.036 13.039 4.267 1.00 31.11 H new ATOM 0 HH22 ARG A 4 0.116 14.546 4.331 1.00 31.11 H new ATOM 73 N LEU A 5 -1.082 7.663 10.247 1.00 22.32 N ATOM 74 CA LEU A 5 -1.838 7.478 11.480 1.00 33.23 C ATOM 75 C LEU A 5 -1.603 8.636 12.444 1.00 72.14 C ATOM 76 O LEU A 5 -0.514 8.786 12.998 1.00 11.43 O ATOM 77 CB LEU A 5 -1.448 6.157 12.147 1.00 41.04 C ATOM 78 CG LEU A 5 -1.516 4.912 11.263 1.00 41.01 C ATOM 79 CD1 LEU A 5 -1.205 3.664 12.073 1.00 24.33 C ATOM 80 CD2 LEU A 5 -2.884 4.798 10.607 1.00 63.04 C ATOM 0 H LEU A 5 -0.070 7.595 10.359 1.00 22.32 H new ATOM 0 HA LEU A 5 -2.898 7.452 11.226 1.00 33.23 H new ATOM 0 HB2 LEU A 5 -0.431 6.252 12.528 1.00 41.04 H new ATOM 0 HB3 LEU A 5 -2.098 6.002 13.008 1.00 41.04 H new ATOM 0 HG LEU A 5 -0.766 5.006 10.478 1.00 41.01 H new ATOM 0 HD11 LEU A 5 -1.258 2.788 11.427 1.00 24.33 H new ATOM 0 HD12 LEU A 5 -0.203 3.744 12.494 1.00 24.33 H new ATOM 0 HD13 LEU A 5 -1.931 3.564 12.880 1.00 24.33 H new ATOM 0 HD21 LEU A 5 -2.914 3.906 9.981 1.00 63.04 H new ATOM 0 HD22 LEU A 5 -3.652 4.727 11.377 1.00 63.04 H new ATOM 0 HD23 LEU A 5 -3.067 5.679 9.992 1.00 63.04 H new ATOM 92 N CYS A 6 -2.631 9.454 12.639 1.00 74.14 N ATOM 93 CA CYS A 6 -2.539 10.600 13.537 1.00 74.53 C ATOM 94 C CYS A 6 -3.159 10.279 14.894 1.00 73.45 C ATOM 95 O CYS A 6 -4.285 9.790 14.973 1.00 1.44 O ATOM 96 CB CYS A 6 -3.234 11.815 12.920 1.00 44.15 C ATOM 97 SG CYS A 6 -2.523 12.353 11.331 1.00 30.40 S ATOM 0 H CYS A 6 -3.539 9.345 12.187 1.00 74.14 H new ATOM 0 HA CYS A 6 -1.484 10.830 13.685 1.00 74.53 H new ATOM 0 HB2 CYS A 6 -4.288 11.581 12.773 1.00 44.15 H new ATOM 0 HB3 CYS A 6 -3.187 12.644 13.626 1.00 44.15 H new ATOM 102 N TYR A 7 -2.414 10.558 15.958 1.00 23.41 N ATOM 103 CA TYR A 7 -2.889 10.297 17.312 1.00 24.13 C ATOM 104 C TYR A 7 -2.197 11.212 18.317 1.00 11.14 C ATOM 105 O TYR A 7 -0.974 11.348 18.313 1.00 61.52 O ATOM 106 CB TYR A 7 -2.648 8.834 17.687 1.00 63.54 C ATOM 107 CG TYR A 7 -3.114 8.482 19.082 1.00 73.13 C ATOM 108 CD1 TYR A 7 -2.361 7.645 19.896 1.00 54.14 C ATOM 109 CD2 TYR A 7 -4.307 8.984 19.585 1.00 2.44 C ATOM 110 CE1 TYR A 7 -2.782 7.319 21.170 1.00 43.42 C ATOM 111 CE2 TYR A 7 -4.735 8.666 20.860 1.00 62.43 C ATOM 112 CZ TYR A 7 -3.969 7.833 21.648 1.00 2.21 C ATOM 113 OH TYR A 7 -4.393 7.512 22.917 1.00 53.23 O ATOM 0 H TYR A 7 -1.480 10.964 15.909 1.00 23.41 H new ATOM 0 HA TYR A 7 -3.960 10.500 17.340 1.00 24.13 H new ATOM 0 HB2 TYR A 7 -3.161 8.194 16.969 1.00 63.54 H new ATOM 0 HB3 TYR A 7 -1.583 8.617 17.603 1.00 63.54 H new ATOM 0 HD1 TYR A 7 -1.430 7.242 19.526 1.00 54.14 H new ATOM 0 HD2 TYR A 7 -4.911 9.634 18.969 1.00 2.44 H new ATOM 0 HE1 TYR A 7 -2.185 6.665 21.789 1.00 43.42 H new ATOM 0 HE2 TYR A 7 -5.664 9.068 21.237 1.00 62.43 H new ATOM 0 HH TYR A 7 -5.247 7.957 23.099 1.00 53.23 H new ATOM 123 N LYS A 8 -2.990 11.838 19.181 1.00 41.53 N ATOM 124 CA LYS A 8 -2.456 12.739 20.195 1.00 63.51 C ATOM 125 C LYS A 8 -1.812 13.963 19.551 1.00 70.33 C ATOM 126 O LYS A 8 -0.629 14.235 19.759 1.00 3.23 O ATOM 127 CB LYS A 8 -1.432 12.010 21.068 1.00 13.03 C ATOM 128 CG LYS A 8 -1.895 10.641 21.534 1.00 4.42 C ATOM 129 CD LYS A 8 -1.434 10.349 22.952 1.00 55.04 C ATOM 130 CE LYS A 8 -2.378 10.954 23.980 1.00 12.35 C ATOM 131 NZ LYS A 8 -2.179 10.359 25.331 1.00 34.54 N1+ ATOM 0 H LYS A 8 -4.005 11.737 19.199 1.00 41.53 H new ATOM 0 HA LYS A 8 -3.284 13.073 20.820 1.00 63.51 H new ATOM 0 HB2 LYS A 8 -0.503 11.899 20.508 1.00 13.03 H new ATOM 0 HB3 LYS A 8 -1.207 12.624 21.940 1.00 13.03 H new ATOM 0 HG2 LYS A 8 -2.983 10.588 21.486 1.00 4.42 H new ATOM 0 HG3 LYS A 8 -1.509 9.876 20.860 1.00 4.42 H new ATOM 0 HD2 LYS A 8 -1.374 9.271 23.102 1.00 55.04 H new ATOM 0 HD3 LYS A 8 -0.430 10.748 23.099 1.00 55.04 H new ATOM 0 HE2 LYS A 8 -2.219 12.031 24.030 1.00 12.35 H new ATOM 0 HE3 LYS A 8 -3.409 10.799 23.663 1.00 12.35 H new ATOM 0 HZ1 LYS A 8 -2.840 10.797 26.004 1.00 34.54 H new ATOM 0 HZ2 LYS A 8 -2.355 9.335 25.289 1.00 34.54 H new ATOM 0 HZ3 LYS A 8 -1.202 10.529 25.645 1.00 34.54 H new ATOM 145 N GLN A 9 -2.598 14.698 18.771 1.00 54.14 N ATOM 146 CA GLN A 9 -2.103 15.893 18.098 1.00 51.01 C ATOM 147 C GLN A 9 -0.802 15.601 17.356 1.00 1.21 C ATOM 148 O GLN A 9 0.079 16.456 17.267 1.00 11.21 O ATOM 149 CB GLN A 9 -1.884 17.019 19.109 1.00 42.33 C ATOM 150 CG GLN A 9 -3.014 17.160 20.117 1.00 4.11 C ATOM 151 CD GLN A 9 -3.098 18.553 20.709 1.00 52.13 C ATOM 152 OE1 GLN A 9 -3.682 19.458 20.113 1.00 42.25 O ATOM 153 NE2 GLN A 9 -2.514 18.731 21.888 1.00 70.13 N ATOM 0 H GLN A 9 -3.579 14.487 18.590 1.00 54.14 H new ATOM 0 HA GLN A 9 -2.852 16.206 17.371 1.00 51.01 H new ATOM 0 HB2 GLN A 9 -0.951 16.839 19.644 1.00 42.33 H new ATOM 0 HB3 GLN A 9 -1.767 17.960 18.572 1.00 42.33 H new ATOM 0 HG2 GLN A 9 -3.960 16.918 19.633 1.00 4.11 H new ATOM 0 HG3 GLN A 9 -2.872 16.436 20.920 1.00 4.11 H new ATOM 0 HE21 GLN A 9 -2.041 17.952 22.346 1.00 70.13 H new ATOM 0 HE22 GLN A 9 -2.538 19.647 22.336 1.00 70.13 H new ATOM 162 N ARG A 10 -0.689 14.388 16.826 1.00 53.34 N ATOM 163 CA ARG A 10 0.504 13.982 16.093 1.00 21.05 C ATOM 164 C ARG A 10 0.129 13.245 14.809 1.00 24.53 C ATOM 165 O ARG A 10 -0.987 12.744 14.672 1.00 72.10 O ATOM 166 CB ARG A 10 1.387 13.090 16.966 1.00 1.15 C ATOM 167 CG ARG A 10 1.806 13.741 18.274 1.00 61.15 C ATOM 168 CD ARG A 10 3.320 13.787 18.412 1.00 71.54 C ATOM 169 NE ARG A 10 3.740 13.866 19.809 1.00 44.34 N ATOM 170 CZ ARG A 10 4.995 13.698 20.209 1.00 53.30 C ATOM 171 NH1 ARG A 10 5.950 13.444 19.324 1.00 40.00 N1+ ATOM 172 NH2 ARG A 10 5.299 13.785 21.498 1.00 3.33 N ATOM 0 H ARG A 10 -1.409 13.669 16.890 1.00 53.34 H new ATOM 0 HA ARG A 10 1.059 14.881 15.827 1.00 21.05 H new ATOM 0 HB2 ARG A 10 0.852 12.166 17.185 1.00 1.15 H new ATOM 0 HB3 ARG A 10 2.280 12.816 16.404 1.00 1.15 H new ATOM 0 HG2 ARG A 10 1.404 14.753 18.324 1.00 61.15 H new ATOM 0 HG3 ARG A 10 1.380 13.187 19.111 1.00 61.15 H new ATOM 0 HD2 ARG A 10 3.753 12.898 17.953 1.00 71.54 H new ATOM 0 HD3 ARG A 10 3.708 14.648 17.868 1.00 71.54 H new ATOM 0 HE ARG A 10 3.031 14.061 20.516 1.00 44.34 H new ATOM 0 HH11 ARG A 10 5.722 13.377 18.332 1.00 40.00 H new ATOM 0 HH12 ARG A 10 6.913 13.316 19.635 1.00 40.00 H new ATOM 0 HH21 ARG A 10 4.568 13.981 22.182 1.00 3.33 H new ATOM 0 HH22 ARG A 10 6.263 13.656 21.804 1.00 3.33 H new ATOM 186 N CYS A 11 1.070 13.186 13.873 1.00 24.11 N ATOM 187 CA CYS A 11 0.840 12.512 12.600 1.00 74.44 C ATOM 188 C CYS A 11 2.115 11.831 12.107 1.00 73.45 C ATOM 189 O CYS A 11 3.180 12.445 12.060 1.00 10.15 O ATOM 190 CB CYS A 11 0.345 13.511 11.552 1.00 45.33 C ATOM 191 SG CYS A 11 -1.404 13.982 11.743 1.00 15.22 S ATOM 0 H CYS A 11 1.999 13.596 13.972 1.00 24.11 H new ATOM 0 HA CYS A 11 0.077 11.749 12.754 1.00 74.44 H new ATOM 0 HB2 CYS A 11 0.960 14.410 11.603 1.00 45.33 H new ATOM 0 HB3 CYS A 11 0.489 13.082 10.560 1.00 45.33 H new ATOM 196 N VAL A 12 1.995 10.559 11.740 1.00 3.14 N ATOM 197 CA VAL A 12 3.136 9.795 11.249 1.00 1.24 C ATOM 198 C VAL A 12 2.742 8.919 10.066 1.00 2.14 C ATOM 199 O VAL A 12 1.590 8.499 9.945 1.00 74.23 O ATOM 200 CB VAL A 12 3.733 8.906 12.356 1.00 11.21 C ATOM 201 CG1 VAL A 12 4.614 9.727 13.284 1.00 12.12 C ATOM 202 CG2 VAL A 12 2.627 8.208 13.134 1.00 10.21 C ATOM 0 H VAL A 12 1.120 10.036 11.773 1.00 3.14 H new ATOM 0 HA VAL A 12 3.887 10.517 10.928 1.00 1.24 H new ATOM 0 HB VAL A 12 4.354 8.142 11.888 1.00 11.21 H new ATOM 0 HG11 VAL A 12 5.027 9.082 14.059 1.00 12.12 H new ATOM 0 HG12 VAL A 12 5.428 10.173 12.713 1.00 12.12 H new ATOM 0 HG13 VAL A 12 4.020 10.515 13.746 1.00 12.12 H new ATOM 0 HG21 VAL A 12 3.067 7.584 13.912 1.00 10.21 H new ATOM 0 HG22 VAL A 12 1.977 8.954 13.592 1.00 10.21 H new ATOM 0 HG23 VAL A 12 2.043 7.585 12.457 1.00 10.21 H new ATOM 212 N THR A 13 3.706 8.646 9.191 1.00 51.45 N ATOM 213 CA THR A 13 3.460 7.821 8.016 1.00 5.21 C ATOM 214 C THR A 13 3.767 6.355 8.300 1.00 34.22 C ATOM 215 O THR A 13 4.817 6.026 8.852 1.00 63.31 O ATOM 216 CB THR A 13 4.305 8.287 6.815 1.00 54.02 C ATOM 217 OG1 THR A 13 3.972 9.638 6.478 1.00 12.43 O ATOM 218 CG2 THR A 13 4.077 7.386 5.611 1.00 53.31 C ATOM 0 H THR A 13 4.664 8.985 9.275 1.00 51.45 H new ATOM 0 HA THR A 13 2.403 7.928 7.771 1.00 5.21 H new ATOM 0 HB THR A 13 5.357 8.232 7.095 1.00 54.02 H new ATOM 0 HG1 THR A 13 4.514 9.928 5.715 1.00 12.43 H new ATOM 0 HG21 THR A 13 4.684 7.735 4.776 1.00 53.31 H new ATOM 0 HG22 THR A 13 4.359 6.364 5.863 1.00 53.31 H new ATOM 0 HG23 THR A 13 3.024 7.413 5.331 1.00 53.31 H new ATOM 226 N TYR A 14 2.845 5.478 7.919 1.00 40.31 N ATOM 227 CA TYR A 14 3.017 4.045 8.134 1.00 64.33 C ATOM 228 C TYR A 14 2.927 3.282 6.817 1.00 32.53 C ATOM 229 O TYR A 14 2.260 3.717 5.877 1.00 41.03 O ATOM 230 CB TYR A 14 1.961 3.526 9.111 1.00 72.52 C ATOM 231 CG TYR A 14 2.417 3.527 10.553 1.00 3.21 C ATOM 232 CD1 TYR A 14 2.597 4.720 11.243 1.00 45.41 C ATOM 233 CD2 TYR A 14 2.668 2.337 11.224 1.00 45.53 C ATOM 234 CE1 TYR A 14 3.014 4.726 12.560 1.00 11.30 C ATOM 235 CE2 TYR A 14 3.084 2.334 12.541 1.00 52.02 C ATOM 236 CZ TYR A 14 3.256 3.531 13.205 1.00 62.14 C ATOM 237 OH TYR A 14 3.671 3.533 14.517 1.00 32.23 O ATOM 0 H TYR A 14 1.971 5.734 7.460 1.00 40.31 H new ATOM 0 HA TYR A 14 4.007 3.883 8.559 1.00 64.33 H new ATOM 0 HB2 TYR A 14 1.064 4.138 9.022 1.00 72.52 H new ATOM 0 HB3 TYR A 14 1.683 2.511 8.827 1.00 72.52 H new ATOM 0 HD1 TYR A 14 2.408 5.658 10.741 1.00 45.41 H new ATOM 0 HD2 TYR A 14 2.536 1.398 10.707 1.00 45.53 H new ATOM 0 HE1 TYR A 14 3.150 5.662 13.082 1.00 11.30 H new ATOM 0 HE2 TYR A 14 3.274 1.400 13.048 1.00 52.02 H new ATOM 0 HH TYR A 14 3.796 2.610 14.822 1.00 32.23 H new ATOM 247 N CYS A 15 3.603 2.140 6.755 1.00 61.20 N ATOM 248 CA CYS A 15 3.601 1.313 5.554 1.00 31.52 C ATOM 249 C CYS A 15 3.461 -0.164 5.911 1.00 31.34 C ATOM 250 O CYS A 15 3.948 -0.611 6.949 1.00 2.31 O ATOM 251 CB CYS A 15 4.886 1.536 4.755 1.00 42.25 C ATOM 252 SG CYS A 15 5.137 3.257 4.214 1.00 63.15 S ATOM 0 H CYS A 15 4.160 1.766 7.523 1.00 61.20 H new ATOM 0 HA CYS A 15 2.746 1.604 4.944 1.00 31.52 H new ATOM 0 HB2 CYS A 15 5.737 1.230 5.364 1.00 42.25 H new ATOM 0 HB3 CYS A 15 4.872 0.889 3.878 1.00 42.25 H new ATOM 257 N ARG A 16 2.791 -0.915 5.043 1.00 21.00 N ATOM 258 CA ARG A 16 2.586 -2.341 5.266 1.00 21.34 C ATOM 259 C ARG A 16 3.909 -3.042 5.560 1.00 31.24 C ATOM 260 O ARG A 16 3.965 -3.970 6.366 1.00 44.23 O ATOM 261 CB ARG A 16 1.918 -2.979 4.046 1.00 0.01 C ATOM 262 CG ARG A 16 2.535 -2.555 2.723 1.00 33.34 C ATOM 263 CD ARG A 16 2.437 -3.660 1.683 1.00 61.15 C ATOM 264 NE ARG A 16 1.090 -4.222 1.608 1.00 4.22 N ATOM 265 CZ ARG A 16 0.776 -5.281 0.869 1.00 51.31 C ATOM 266 NH1 ARG A 16 1.707 -5.888 0.147 1.00 71.24 N1+ ATOM 267 NH2 ARG A 16 -0.471 -5.733 0.854 1.00 60.23 N ATOM 0 H ARG A 16 2.381 -0.560 4.179 1.00 21.00 H new ATOM 0 HA ARG A 16 1.934 -2.457 6.131 1.00 21.34 H new ATOM 0 HB2 ARG A 16 1.979 -4.064 4.135 1.00 0.01 H new ATOM 0 HB3 ARG A 16 0.860 -2.718 4.044 1.00 0.01 H new ATOM 0 HG2 ARG A 16 2.031 -1.662 2.355 1.00 33.34 H new ATOM 0 HG3 ARG A 16 3.581 -2.290 2.876 1.00 33.34 H new ATOM 0 HD2 ARG A 16 2.720 -3.266 0.707 1.00 61.15 H new ATOM 0 HD3 ARG A 16 3.147 -4.451 1.926 1.00 61.15 H new ATOM 0 HE ARG A 16 0.351 -3.777 2.152 1.00 4.22 H new ATOM 0 HH11 ARG A 16 2.667 -5.543 0.158 1.00 71.24 H new ATOM 0 HH12 ARG A 16 1.464 -6.701 -0.419 1.00 71.24 H new ATOM 0 HH21 ARG A 16 -1.189 -5.268 1.410 1.00 60.23 H new ATOM 0 HH22 ARG A 16 -0.712 -6.546 0.287 1.00 60.23 H new ATOM 281 N GLY A 17 4.972 -2.591 4.901 1.00 63.25 N ATOM 282 CA GLY A 17 6.279 -3.186 5.104 1.00 42.35 C ATOM 283 C GLY A 17 6.681 -3.215 6.565 1.00 12.44 C ATOM 284 O GLY A 17 7.366 -4.138 7.010 1.00 52.12 O ATOM 0 H GLY A 17 4.951 -1.823 4.230 1.00 63.25 H new ATOM 0 HA2 GLY A 17 6.277 -4.202 4.710 1.00 42.35 H new ATOM 0 HA3 GLY A 17 7.022 -2.626 4.537 1.00 42.35 H new