USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 133 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 1 VAL N :NH3+ 176:sc= -0.492 (180deg=-0.527) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0846) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0887 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA VAL A 1 2.094 -0.002 -1.242 1.00 12.15 C ATOM 3 C VAL A 1 1.302 -0.647 -2.373 1.00 40.25 C ATOM 4 O VAL A 1 1.401 -0.233 -3.528 1.00 63.12 O ATOM 5 CB VAL A 1 3.431 -0.747 -1.076 1.00 24.32 C ATOM 6 CG1 VAL A 1 3.194 -2.169 -0.591 1.00 71.53 C ATOM 7 CG2 VAL A 1 4.208 -0.744 -2.384 1.00 5.44 C ATOM 0 H1 VAL A 1 1.916 0.383 0.769 1.00 3.00 H new ATOM 0 H2 VAL A 1 0.481 0.591 -0.115 1.00 3.00 H new ATOM 0 H3 VAL A 1 1.044 -0.972 0.234 1.00 3.00 H new ATOM 0 HA VAL A 1 2.296 1.040 -1.492 1.00 12.15 H new ATOM 0 HB VAL A 1 4.026 -0.227 -0.325 1.00 24.32 H new ATOM 0 HG11 VAL A 1 4.151 -2.680 -0.480 1.00 71.53 H new ATOM 0 HG12 VAL A 1 2.681 -2.145 0.371 1.00 71.53 H new ATOM 0 HG13 VAL A 1 2.580 -2.703 -1.316 1.00 71.53 H new ATOM 0 HG21 VAL A 1 5.150 -1.275 -2.249 1.00 5.44 H new ATOM 0 HG22 VAL A 1 3.621 -1.239 -3.157 1.00 5.44 H new ATOM 0 HG23 VAL A 1 4.411 0.284 -2.685 1.00 5.44 H new ATOM 17 N ALA A 2 0.515 -1.663 -2.034 1.00 2.41 N ATOM 18 CA ALA A 2 -0.296 -2.364 -3.021 1.00 52.43 C ATOM 19 C ALA A 2 -1.771 -2.345 -2.633 1.00 42.43 C ATOM 20 O ALA A 2 -2.149 -2.839 -1.571 1.00 74.24 O ATOM 21 CB ALA A 2 0.191 -3.796 -3.183 1.00 75.05 C ATOM 0 H ALA A 2 0.422 -2.019 -1.083 1.00 2.41 H new ATOM 0 HA ALA A 2 -0.192 -1.846 -3.975 1.00 52.43 H new ATOM 0 HB1 ALA A 2 -0.424 -4.308 -3.923 1.00 75.05 H new ATOM 0 HB2 ALA A 2 1.229 -3.792 -3.514 1.00 75.05 H new ATOM 0 HB3 ALA A 2 0.117 -4.316 -2.228 1.00 75.05 H new ATOM 27 N ARG A 3 -2.599 -1.770 -3.500 1.00 64.41 N ATOM 28 CA ARG A 3 -4.032 -1.686 -3.247 1.00 2.54 C ATOM 29 C ARG A 3 -4.604 -3.056 -2.897 1.00 31.11 C ATOM 30 O ARG A 3 -5.569 -3.163 -2.141 1.00 41.21 O ATOM 31 CB ARG A 3 -4.755 -1.116 -4.469 1.00 4.35 C ATOM 32 CG ARG A 3 -5.011 -2.144 -5.559 1.00 0.55 C ATOM 33 CD ARG A 3 -5.168 -1.484 -6.920 1.00 34.31 C ATOM 34 NE ARG A 3 -5.181 -2.463 -8.004 1.00 23.02 N ATOM 35 CZ ARG A 3 -4.106 -3.136 -8.398 1.00 63.51 C ATOM 36 NH1 ARG A 3 -2.939 -2.938 -7.800 1.00 60.32 N ATOM 37 NH2 ARG A 3 -4.197 -4.011 -9.392 1.00 44.31 N ATOM 0 H ARG A 3 -2.302 -1.356 -4.383 1.00 64.41 H new ATOM 0 HA ARG A 3 -4.187 -1.020 -2.398 1.00 2.54 H new ATOM 0 HB2 ARG A 3 -5.707 -0.690 -4.152 1.00 4.35 H new ATOM 0 HB3 ARG A 3 -4.163 -0.300 -4.883 1.00 4.35 H new ATOM 0 HG2 ARG A 3 -4.186 -2.855 -5.591 1.00 0.55 H new ATOM 0 HG3 ARG A 3 -5.911 -2.711 -5.322 1.00 0.55 H new ATOM 0 HD2 ARG A 3 -6.094 -0.909 -6.940 1.00 34.31 H new ATOM 0 HD3 ARG A 3 -4.352 -0.779 -7.078 1.00 34.31 H new ATOM 0 HE ARG A 3 -6.063 -2.639 -8.484 1.00 23.02 H new ATOM 0 HH11 ARG A 3 -2.865 -2.267 -7.035 1.00 60.32 H new ATOM 0 HH12 ARG A 3 -2.115 -3.456 -8.105 1.00 60.32 H new ATOM 0 HH21 ARG A 3 -5.093 -4.167 -9.854 1.00 44.31 H new ATOM 0 HH22 ARG A 3 -3.371 -4.527 -9.694 1.00 44.31 H new ATOM 51 N GLY A 4 -4.002 -4.103 -3.453 1.00 50.15 N ATOM 52 CA GLY A 4 -4.466 -5.452 -3.189 1.00 62.42 C ATOM 53 C GLY A 4 -3.463 -6.264 -2.393 1.00 75.52 C ATOM 54 O GLY A 4 -2.471 -6.746 -2.940 1.00 10.13 O ATOM 0 H GLY A 4 -3.201 -4.041 -4.082 1.00 50.15 H new ATOM 0 HA2 GLY A 4 -5.409 -5.409 -2.643 1.00 62.42 H new ATOM 0 HA3 GLY A 4 -4.668 -5.955 -4.135 1.00 62.42 H new ATOM 58 N TRP A 5 -3.722 -6.416 -1.099 1.00 43.44 N ATOM 59 CA TRP A 5 -2.833 -7.174 -0.226 1.00 42.13 C ATOM 60 C TRP A 5 -3.577 -8.325 0.441 1.00 60.21 C ATOM 61 O TRP A 5 -3.493 -9.471 -0.001 1.00 72.32 O ATOM 62 CB TRP A 5 -2.226 -6.258 0.838 1.00 50.23 C ATOM 63 CG TRP A 5 -0.968 -5.578 0.389 1.00 50.22 C ATOM 64 CD1 TRP A 5 -0.641 -4.263 0.561 1.00 24.22 C ATOM 65 CD2 TRP A 5 0.129 -6.178 -0.308 1.00 72.53 C ATOM 66 NE1 TRP A 5 0.594 -4.010 0.013 1.00 32.41 N ATOM 67 CE2 TRP A 5 1.087 -5.169 -0.526 1.00 21.24 C ATOM 68 CE3 TRP A 5 0.396 -7.471 -0.768 1.00 52.21 C ATOM 69 CZ2 TRP A 5 2.290 -5.414 -1.183 1.00 74.14 C ATOM 70 CZ3 TRP A 5 1.590 -7.712 -1.421 1.00 75.10 C ATOM 71 CH2 TRP A 5 2.525 -6.688 -1.623 1.00 73.41 C ATOM 0 H TRP A 5 -4.540 -6.025 -0.631 1.00 43.44 H new ATOM 0 HA TRP A 5 -2.032 -7.589 -0.837 1.00 42.13 H new ATOM 0 HB2 TRP A 5 -2.959 -5.502 1.117 1.00 50.23 H new ATOM 0 HB3 TRP A 5 -2.015 -6.843 1.733 1.00 50.23 H new ATOM 0 HD1 TRP A 5 -1.261 -3.530 1.055 1.00 24.22 H new ATOM 0 HE1 TRP A 5 1.067 -3.106 0.008 1.00 32.41 H new ATOM 0 HE3 TRP A 5 -0.318 -8.267 -0.616 1.00 52.21 H new ATOM 0 HZ2 TRP A 5 3.012 -4.626 -1.340 1.00 74.14 H new ATOM 0 HZ3 TRP A 5 1.806 -8.707 -1.782 1.00 75.10 H new ATOM 0 HH2 TRP A 5 3.449 -6.909 -2.136 1.00 73.41 H new ATOM 82 N LYS A 6 -4.306 -8.014 1.508 1.00 44.05 N ATOM 83 CA LYS A 6 -5.067 -9.022 2.236 1.00 64.34 C ATOM 84 C LYS A 6 -5.486 -10.160 1.311 1.00 61.53 C ATOM 85 O LYS A 6 -5.179 -11.325 1.566 1.00 61.13 O ATOM 86 CB LYS A 6 -6.304 -8.391 2.879 1.00 63.43 C ATOM 87 CG LYS A 6 -6.856 -7.208 2.103 1.00 61.10 C ATOM 88 CD LYS A 6 -6.390 -5.888 2.693 1.00 11.25 C ATOM 89 CE LYS A 6 -7.543 -4.907 2.844 1.00 21.13 C ATOM 90 NZ LYS A 6 -7.118 -3.506 2.575 1.00 44.43 N ATOM 0 H LYS A 6 -4.386 -7.071 1.888 1.00 44.05 H new ATOM 0 HA LYS A 6 -4.427 -9.430 3.018 1.00 64.34 H new ATOM 0 HB2 LYS A 6 -7.082 -9.149 2.971 1.00 63.43 H new ATOM 0 HB3 LYS A 6 -6.053 -8.067 3.889 1.00 63.43 H new ATOM 0 HG2 LYS A 6 -6.539 -7.275 1.062 1.00 61.10 H new ATOM 0 HG3 LYS A 6 -7.945 -7.245 2.107 1.00 61.10 H new ATOM 0 HD2 LYS A 6 -5.932 -6.065 3.666 1.00 11.25 H new ATOM 0 HD3 LYS A 6 -5.622 -5.453 2.053 1.00 11.25 H new ATOM 0 HE2 LYS A 6 -8.345 -5.181 2.159 1.00 21.13 H new ATOM 0 HE3 LYS A 6 -7.949 -4.976 3.853 1.00 21.13 H new ATOM 0 HZ1 LYS A 6 -7.932 -2.869 2.688 1.00 44.43 H new ATOM 0 HZ2 LYS A 6 -6.370 -3.235 3.245 1.00 44.43 H new ATOM 0 HZ3 LYS A 6 -6.754 -3.434 1.603 1.00 44.43 H new ATOM 104 N ARG A 7 -6.188 -9.816 0.236 1.00 5.40 N ATOM 105 CA ARG A 7 -6.648 -10.809 -0.727 1.00 13.23 C ATOM 106 C ARG A 7 -5.511 -11.241 -1.648 1.00 55.02 C ATOM 107 O ARG A 7 -4.966 -12.336 -1.508 1.00 3.31 O ATOM 108 CB ARG A 7 -7.806 -10.249 -1.555 1.00 42.53 C ATOM 109 CG ARG A 7 -9.117 -10.165 -0.791 1.00 72.34 C ATOM 110 CD ARG A 7 -10.290 -9.905 -1.724 1.00 63.33 C ATOM 111 NE ARG A 7 -11.331 -10.921 -1.591 1.00 10.54 N ATOM 112 CZ ARG A 7 -12.455 -10.918 -2.299 1.00 23.40 C ATOM 113 NH1 ARG A 7 -12.681 -9.960 -3.187 1.00 1.24 N ATOM 114 NH2 ARG A 7 -13.355 -11.877 -2.121 1.00 3.15 N ATOM 0 H ARG A 7 -6.451 -8.857 0.010 1.00 5.40 H new ATOM 0 HA ARG A 7 -6.995 -11.682 -0.174 1.00 13.23 H new ATOM 0 HB2 ARG A 7 -7.539 -9.254 -1.911 1.00 42.53 H new ATOM 0 HB3 ARG A 7 -7.948 -10.876 -2.436 1.00 42.53 H new ATOM 0 HG2 ARG A 7 -9.283 -11.095 -0.247 1.00 72.34 H new ATOM 0 HG3 ARG A 7 -9.057 -9.368 -0.050 1.00 72.34 H new ATOM 0 HD2 ARG A 7 -10.712 -8.923 -1.510 1.00 63.33 H new ATOM 0 HD3 ARG A 7 -9.935 -9.882 -2.754 1.00 63.33 H new ATOM 0 HE ARG A 7 -11.187 -11.674 -0.918 1.00 10.54 H new ATOM 0 HH11 ARG A 7 -11.991 -9.222 -3.328 1.00 1.24 H new ATOM 0 HH12 ARG A 7 -13.545 -9.961 -3.729 1.00 1.24 H new ATOM 0 HH21 ARG A 7 -13.184 -12.617 -1.440 1.00 3.15 H new ATOM 0 HH22 ARG A 7 -14.218 -11.874 -2.665 1.00 3.15 H new ATOM 128 N LYS A 8 -5.160 -10.374 -2.592 1.00 25.13 N ATOM 129 CA LYS A 8 -4.088 -10.664 -3.537 1.00 24.14 C ATOM 130 C LYS A 8 -2.722 -10.494 -2.879 1.00 22.20 C ATOM 131 O LYS A 8 -2.370 -9.403 -2.430 1.00 13.34 O ATOM 132 CB LYS A 8 -4.195 -9.748 -4.758 1.00 21.30 C ATOM 133 CG LYS A 8 -5.490 -9.917 -5.533 1.00 32.20 C ATOM 134 CD LYS A 8 -5.237 -10.454 -6.932 1.00 31.33 C ATOM 135 CE LYS A 8 -5.120 -11.971 -6.934 1.00 5.24 C ATOM 136 NZ LYS A 8 -6.444 -12.630 -6.761 1.00 43.02 N ATOM 0 H LYS A 8 -5.603 -9.464 -2.723 1.00 25.13 H new ATOM 0 HA LYS A 8 -4.191 -11.701 -3.858 1.00 24.14 H new ATOM 0 HB2 LYS A 8 -4.109 -8.711 -4.433 1.00 21.30 H new ATOM 0 HB3 LYS A 8 -3.355 -9.944 -5.424 1.00 21.30 H new ATOM 0 HG2 LYS A 8 -6.151 -10.597 -4.995 1.00 32.20 H new ATOM 0 HG3 LYS A 8 -6.004 -8.958 -5.598 1.00 32.20 H new ATOM 0 HD2 LYS A 8 -6.049 -10.150 -7.592 1.00 31.33 H new ATOM 0 HD3 LYS A 8 -4.322 -10.017 -7.331 1.00 31.33 H new ATOM 0 HE2 LYS A 8 -4.671 -12.299 -7.871 1.00 5.24 H new ATOM 0 HE3 LYS A 8 -4.451 -12.285 -6.133 1.00 5.24 H new ATOM 0 HZ1 LYS A 8 -6.364 -13.639 -7.002 1.00 43.02 H new ATOM 0 HZ2 LYS A 8 -6.753 -12.533 -5.773 1.00 43.02 H new ATOM 0 HZ3 LYS A 8 -7.141 -12.179 -7.388 1.00 43.02 H new ATOM 150 N CYS A 9 -1.956 -11.579 -2.827 1.00 53.54 N ATOM 151 CA CYS A 9 -0.628 -11.549 -2.225 1.00 51.22 C ATOM 152 C CYS A 9 0.442 -11.904 -3.252 1.00 24.22 C ATOM 153 O CYS A 9 1.007 -12.998 -3.243 1.00 23.13 O ATOM 154 CB CYS A 9 -0.560 -12.517 -1.043 1.00 43.21 C ATOM 155 SG CYS A 9 -1.190 -14.172 -1.407 1.00 10.12 S ATOM 0 H CYS A 9 -2.232 -12.490 -3.194 1.00 53.54 H new ATOM 0 HA CYS A 9 -0.440 -10.537 -1.867 1.00 51.22 H new ATOM 0 HB2 CYS A 9 0.476 -12.599 -0.713 1.00 43.21 H new ATOM 0 HB3 CYS A 9 -1.127 -12.099 -0.212 1.00 43.21 H new ATOM 0 HG CYS A 9 -1.088 -14.918 -0.347 1.00 10.12 H new ATOM 161 N PRO A 10 0.728 -10.960 -4.160 1.00 41.32 N ATOM 162 CA PRO A 10 1.732 -11.150 -5.212 1.00 33.34 C ATOM 163 C PRO A 10 3.152 -11.186 -4.658 1.00 11.23 C ATOM 164 O PRO A 10 3.955 -12.040 -5.035 1.00 44.32 O ATOM 165 CB PRO A 10 1.539 -9.927 -6.112 1.00 21.32 C ATOM 166 CG PRO A 10 0.948 -8.890 -5.220 1.00 64.13 C ATOM 167 CD PRO A 10 0.094 -9.633 -4.231 1.00 13.43 C ATOM 0 HA PRO A 10 1.605 -12.101 -5.730 1.00 33.34 H new ATOM 0 HB2 PRO A 10 2.487 -9.593 -6.534 1.00 21.32 H new ATOM 0 HB3 PRO A 10 0.879 -10.152 -6.949 1.00 21.32 H new ATOM 0 HG2 PRO A 10 1.727 -8.321 -4.713 1.00 64.13 H new ATOM 0 HG3 PRO A 10 0.353 -8.177 -5.791 1.00 64.13 H new ATOM 0 HD2 PRO A 10 0.084 -9.140 -3.259 1.00 13.43 H new ATOM 0 HD3 PRO A 10 -0.941 -9.700 -4.565 1.00 13.43 H new ATOM 175 N LEU A 11 3.455 -10.254 -3.761 1.00 24.23 N ATOM 176 CA LEU A 11 4.780 -10.179 -3.154 1.00 32.13 C ATOM 177 C LEU A 11 4.706 -10.437 -1.652 1.00 61.11 C ATOM 178 O LEU A 11 5.025 -11.530 -1.183 1.00 14.10 O ATOM 179 CB LEU A 11 5.406 -8.809 -3.417 1.00 43.31 C ATOM 180 CG LEU A 11 4.561 -7.830 -4.232 1.00 54.42 C ATOM 181 CD1 LEU A 11 5.090 -6.412 -4.081 1.00 23.25 C ATOM 182 CD2 LEU A 11 4.536 -8.238 -5.698 1.00 4.10 C ATOM 0 H LEU A 11 2.802 -9.540 -3.438 1.00 24.23 H new ATOM 0 HA LEU A 11 5.404 -10.950 -3.606 1.00 32.13 H new ATOM 0 HB2 LEU A 11 5.637 -8.347 -2.457 1.00 43.31 H new ATOM 0 HB3 LEU A 11 6.354 -8.958 -3.935 1.00 43.31 H new ATOM 0 HG LEU A 11 3.540 -7.857 -3.850 1.00 54.42 H new ATOM 0 HD11 LEU A 11 4.475 -5.730 -4.668 1.00 23.25 H new ATOM 0 HD12 LEU A 11 5.054 -6.120 -3.031 1.00 23.25 H new ATOM 0 HD13 LEU A 11 6.120 -6.368 -4.435 1.00 23.25 H new ATOM 0 HD21 LEU A 11 3.930 -7.530 -6.263 1.00 4.10 H new ATOM 0 HD22 LEU A 11 5.552 -8.241 -6.092 1.00 4.10 H new ATOM 0 HD23 LEU A 11 4.108 -9.236 -5.791 1.00 4.10 H new ATOM 194 N PHE A 12 4.282 -9.425 -0.903 1.00 50.42 N ATOM 195 CA PHE A 12 4.165 -9.542 0.546 1.00 52.14 C ATOM 196 C PHE A 12 2.738 -9.250 1.001 1.00 1.13 C ATOM 197 O PHE A 12 2.396 -8.111 1.315 1.00 52.41 O ATOM 198 CB PHE A 12 5.139 -8.585 1.236 1.00 32.24 C ATOM 199 CG PHE A 12 5.720 -7.552 0.314 1.00 61.20 C ATOM 200 CD1 PHE A 12 5.057 -6.357 0.085 1.00 61.44 C ATOM 201 CD2 PHE A 12 6.929 -7.776 -0.324 1.00 64.22 C ATOM 202 CE1 PHE A 12 5.589 -5.404 -0.763 1.00 65.54 C ATOM 203 CE2 PHE A 12 7.467 -6.827 -1.173 1.00 12.02 C ATOM 204 CZ PHE A 12 6.795 -5.640 -1.394 1.00 25.23 C ATOM 0 H PHE A 12 4.014 -8.514 -1.275 1.00 50.42 H new ATOM 0 HA PHE A 12 4.414 -10.566 0.825 1.00 52.14 H new ATOM 0 HB2 PHE A 12 4.623 -8.081 2.053 1.00 32.24 H new ATOM 0 HB3 PHE A 12 5.950 -9.162 1.679 1.00 32.24 H new ATOM 0 HD1 PHE A 12 4.113 -6.168 0.575 1.00 61.44 H new ATOM 0 HD2 PHE A 12 7.457 -8.703 -0.156 1.00 64.22 H new ATOM 0 HE1 PHE A 12 5.063 -4.476 -0.932 1.00 65.54 H new ATOM 0 HE2 PHE A 12 8.411 -7.013 -1.663 1.00 12.02 H new ATOM 0 HZ PHE A 12 7.212 -4.898 -2.059 1.00 25.23 H new ATOM 214 N GLY A 13 1.909 -10.289 1.034 1.00 23.15 N ATOM 215 CA GLY A 13 0.529 -10.124 1.452 1.00 62.21 C ATOM 216 C GLY A 13 0.370 -10.170 2.959 1.00 52.04 C ATOM 217 O GLY A 13 -0.694 -9.849 3.488 1.00 12.24 O ATOM 0 H GLY A 13 2.168 -11.242 0.779 1.00 23.15 H new ATOM 0 HA2 GLY A 13 0.151 -9.172 1.079 1.00 62.21 H new ATOM 0 HA3 GLY A 13 -0.080 -10.908 1.001 1.00 62.21 H new ATOM 221 N LYS A 14 1.430 -10.572 3.652 1.00 15.01 N ATOM 222 CA LYS A 14 1.404 -10.660 5.107 1.00 12.23 C ATOM 223 C LYS A 14 1.527 -9.276 5.738 1.00 21.51 C ATOM 224 O LYS A 14 0.716 -8.893 6.579 1.00 15.42 O ATOM 225 CB LYS A 14 2.536 -11.561 5.604 1.00 21.44 C ATOM 226 CG LYS A 14 2.692 -12.841 4.801 1.00 32.13 C ATOM 227 CD LYS A 14 3.991 -12.850 4.014 1.00 61.55 C ATOM 228 CE LYS A 14 3.927 -13.821 2.844 1.00 52.42 C ATOM 229 NZ LYS A 14 5.045 -14.804 2.877 1.00 53.25 N ATOM 0 H LYS A 14 2.318 -10.842 3.229 1.00 15.01 H new ATOM 0 HA LYS A 14 0.448 -11.091 5.403 1.00 12.23 H new ATOM 0 HB2 LYS A 14 3.473 -11.005 5.571 1.00 21.44 H new ATOM 0 HB3 LYS A 14 2.354 -11.817 6.648 1.00 21.44 H new ATOM 0 HG2 LYS A 14 2.667 -13.699 5.473 1.00 32.13 H new ATOM 0 HG3 LYS A 14 1.850 -12.947 4.117 1.00 32.13 H new ATOM 0 HD2 LYS A 14 4.201 -11.846 3.644 1.00 61.55 H new ATOM 0 HD3 LYS A 14 4.815 -13.126 4.672 1.00 61.55 H new ATOM 0 HE2 LYS A 14 2.976 -14.352 2.865 1.00 52.42 H new ATOM 0 HE3 LYS A 14 3.961 -13.264 1.908 1.00 52.42 H new ATOM 0 HZ1 LYS A 14 4.966 -15.447 2.064 1.00 53.25 H new ATOM 0 HZ2 LYS A 14 5.953 -14.299 2.832 1.00 53.25 H new ATOM 0 HZ3 LYS A 14 4.998 -15.353 3.759 1.00 53.25 H new ATOM 243 N GLY A 15 2.548 -8.531 5.325 1.00 74.03 N ATOM 244 CA GLY A 15 2.757 -7.198 5.859 1.00 20.11 C ATOM 245 C GLY A 15 2.314 -6.112 4.899 1.00 61.34 C ATOM 246 O GLY A 15 2.937 -5.054 4.817 1.00 72.54 O ATOM 0 H GLY A 15 3.234 -8.827 4.630 1.00 74.03 H new ATOM 0 HA2 GLY A 15 2.210 -7.096 6.796 1.00 20.11 H new ATOM 0 HA3 GLY A 15 3.814 -7.065 6.091 1.00 20.11 H new ATOM 250 N GLY A 16 1.235 -6.375 4.168 1.00 53.32 N ATOM 251 CA GLY A 16 0.729 -5.403 3.216 1.00 14.34 C ATOM 252 C GLY A 16 0.547 -4.029 3.832 1.00 73.51 C ATOM 253 O GLY A 16 0.361 -3.904 5.042 1.00 30.23 O ATOM 0 H GLY A 16 0.702 -7.243 4.218 1.00 53.32 H new ATOM 0 HA2 GLY A 16 1.417 -5.332 2.373 1.00 14.34 H new ATOM 0 HA3 GLY A 16 -0.225 -5.750 2.820 1.00 14.34 H new TER 257 GLY A 16