USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=4 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+ -172:sc= -0.728 (180deg=-0.979) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.161) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0882 USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= -0.0631 (180deg=-0.846) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.228 -0.367 0.004 1.00 32.14 N ATOM 2 CA VAL A 1 1.973 -0.200 -1.237 1.00 64.34 C ATOM 3 C VAL A 1 1.232 -0.829 -2.412 1.00 24.00 C ATOM 4 O VAL A 1 1.397 -0.412 -3.558 1.00 0.21 O ATOM 5 CB VAL A 1 3.378 -0.825 -1.137 1.00 12.11 C ATOM 6 CG1 VAL A 1 4.177 -0.166 -0.023 1.00 42.54 C ATOM 7 CG2 VAL A 1 3.278 -2.327 -0.916 1.00 10.44 C ATOM 0 H1 VAL A 1 1.684 0.184 0.759 1.00 32.14 H new ATOM 0 H2 VAL A 1 0.253 -0.032 -0.129 1.00 32.14 H new ATOM 0 H3 VAL A 1 1.215 -1.373 0.269 1.00 32.14 H new ATOM 0 HA VAL A 1 2.071 0.872 -1.405 1.00 64.34 H new ATOM 0 HB VAL A 1 3.901 -0.653 -2.078 1.00 12.11 H new ATOM 0 HG11 VAL A 1 5.166 -0.620 0.033 1.00 42.54 H new ATOM 0 HG12 VAL A 1 4.278 0.900 -0.229 1.00 42.54 H new ATOM 0 HG13 VAL A 1 3.660 -0.305 0.927 1.00 42.54 H new ATOM 0 HG21 VAL A 1 4.279 -2.752 -0.848 1.00 10.44 H new ATOM 0 HG22 VAL A 1 2.737 -2.523 0.009 1.00 10.44 H new ATOM 0 HG23 VAL A 1 2.746 -2.783 -1.751 1.00 10.44 H new ATOM 17 N ALA A 2 0.415 -1.835 -2.119 1.00 21.23 N ATOM 18 CA ALA A 2 -0.354 -2.520 -3.150 1.00 63.32 C ATOM 19 C ALA A 2 -1.844 -2.504 -2.826 1.00 42.23 C ATOM 20 O ALA A 2 -2.266 -2.990 -1.777 1.00 41.00 O ATOM 21 CB ALA A 2 0.137 -3.951 -3.312 1.00 24.34 C ATOM 0 H ALA A 2 0.269 -2.194 -1.175 1.00 21.23 H new ATOM 0 HA ALA A 2 -0.208 -1.988 -4.090 1.00 63.32 H new ATOM 0 HB1 ALA A 2 -0.446 -4.451 -4.085 1.00 24.34 H new ATOM 0 HB2 ALA A 2 1.189 -3.945 -3.598 1.00 24.34 H new ATOM 0 HB3 ALA A 2 0.021 -4.484 -2.369 1.00 24.34 H new ATOM 27 N ARG A 3 -2.636 -1.941 -3.733 1.00 45.03 N ATOM 28 CA ARG A 3 -4.079 -1.860 -3.542 1.00 44.45 C ATOM 29 C ARG A 3 -4.646 -3.207 -3.105 1.00 50.11 C ATOM 30 O ARG A 3 -5.629 -3.268 -2.368 1.00 73.12 O ATOM 31 CB ARG A 3 -4.760 -1.402 -4.833 1.00 72.04 C ATOM 32 CG ARG A 3 -4.885 -2.499 -5.878 1.00 35.11 C ATOM 33 CD ARG A 3 -3.538 -2.834 -6.498 1.00 71.04 C ATOM 34 NE ARG A 3 -3.642 -3.075 -7.935 1.00 61.10 N ATOM 35 CZ ARG A 3 -2.591 -3.175 -8.741 1.00 61.42 C ATOM 36 NH1 ARG A 3 -1.364 -3.057 -8.254 1.00 3.52 N ATOM 37 NH2 ARG A 3 -2.766 -3.396 -10.038 1.00 15.41 N ATOM 0 H ARG A 3 -2.303 -1.534 -4.607 1.00 45.03 H new ATOM 0 HA ARG A 3 -4.276 -1.131 -2.756 1.00 44.45 H new ATOM 0 HB2 ARG A 3 -5.754 -1.024 -4.595 1.00 72.04 H new ATOM 0 HB3 ARG A 3 -4.196 -0.571 -5.256 1.00 72.04 H new ATOM 0 HG2 ARG A 3 -5.308 -3.393 -5.420 1.00 35.11 H new ATOM 0 HG3 ARG A 3 -5.577 -2.183 -6.658 1.00 35.11 H new ATOM 0 HD2 ARG A 3 -2.842 -2.015 -6.317 1.00 71.04 H new ATOM 0 HD3 ARG A 3 -3.124 -3.717 -6.011 1.00 71.04 H new ATOM 0 HE ARG A 3 -4.572 -3.172 -8.342 1.00 61.10 H new ATOM 0 HH11 ARG A 3 -1.225 -2.889 -7.258 1.00 3.52 H new ATOM 0 HH12 ARG A 3 -0.559 -3.134 -8.876 1.00 3.52 H new ATOM 0 HH21 ARG A 3 -3.708 -3.489 -10.417 1.00 15.41 H new ATOM 0 HH22 ARG A 3 -1.958 -3.473 -10.656 1.00 15.41 H new ATOM 51 N GLY A 4 -4.019 -4.285 -3.565 1.00 62.23 N ATOM 52 CA GLY A 4 -4.476 -5.617 -3.212 1.00 5.51 C ATOM 53 C GLY A 4 -3.430 -6.404 -2.447 1.00 72.23 C ATOM 54 O GLY A 4 -2.438 -6.851 -3.022 1.00 24.42 O ATOM 0 H GLY A 4 -3.203 -4.260 -4.176 1.00 62.23 H new ATOM 0 HA2 GLY A 4 -5.381 -5.540 -2.609 1.00 5.51 H new ATOM 0 HA3 GLY A 4 -4.743 -6.159 -4.119 1.00 5.51 H new ATOM 58 N TRP A 5 -3.652 -6.573 -1.149 1.00 2.21 N ATOM 59 CA TRP A 5 -2.719 -7.311 -0.304 1.00 54.31 C ATOM 60 C TRP A 5 -3.417 -8.476 0.388 1.00 34.21 C ATOM 61 O TRP A 5 -3.287 -9.627 -0.029 1.00 32.32 O ATOM 62 CB TRP A 5 -2.098 -6.380 0.739 1.00 71.13 C ATOM 63 CG TRP A 5 -0.853 -5.698 0.259 1.00 1.40 C ATOM 64 CD1 TRP A 5 -0.523 -4.383 0.425 1.00 52.21 C ATOM 65 CD2 TRP A 5 0.227 -6.296 -0.467 1.00 12.44 C ATOM 66 NE1 TRP A 5 0.697 -4.127 -0.154 1.00 35.31 N ATOM 67 CE2 TRP A 5 1.178 -5.285 -0.707 1.00 12.52 C ATOM 68 CE3 TRP A 5 0.484 -7.587 -0.935 1.00 11.21 C ATOM 69 CZ2 TRP A 5 2.363 -5.527 -1.395 1.00 45.42 C ATOM 70 CZ3 TRP A 5 1.661 -7.825 -1.618 1.00 60.43 C ATOM 71 CH2 TRP A 5 2.589 -6.800 -1.843 1.00 22.04 C ATOM 0 H TRP A 5 -4.469 -6.210 -0.658 1.00 2.21 H new ATOM 0 HA TRP A 5 -1.929 -7.711 -0.940 1.00 54.31 H new ATOM 0 HB2 TRP A 5 -2.831 -5.625 1.024 1.00 71.13 H new ATOM 0 HB3 TRP A 5 -1.867 -6.954 1.636 1.00 71.13 H new ATOM 0 HD1 TRP A 5 -1.131 -3.652 0.936 1.00 52.21 H new ATOM 0 HE1 TRP A 5 1.168 -3.222 -0.170 1.00 35.31 H new ATOM 0 HE3 TRP A 5 -0.225 -8.384 -0.766 1.00 11.21 H new ATOM 0 HZ2 TRP A 5 3.079 -4.738 -1.569 1.00 45.42 H new ATOM 0 HZ3 TRP A 5 1.869 -8.819 -1.985 1.00 60.43 H new ATOM 0 HH2 TRP A 5 3.500 -7.019 -2.380 1.00 22.04 H new ATOM 82 N LYS A 6 -4.159 -8.171 1.448 1.00 62.33 N ATOM 83 CA LYS A 6 -4.879 -9.193 2.198 1.00 73.23 C ATOM 84 C LYS A 6 -5.225 -10.381 1.305 1.00 24.12 C ATOM 85 O LYS A 6 -4.590 -11.433 1.383 1.00 44.12 O ATOM 86 CB LYS A 6 -6.158 -8.606 2.801 1.00 65.42 C ATOM 87 CG LYS A 6 -6.652 -7.362 2.085 1.00 51.43 C ATOM 88 CD LYS A 6 -8.078 -7.019 2.483 1.00 41.42 C ATOM 89 CE LYS A 6 -9.068 -8.042 1.947 1.00 24.03 C ATOM 90 NZ LYS A 6 -10.380 -7.422 1.613 1.00 64.44 N ATOM 0 H LYS A 6 -4.277 -7.224 1.807 1.00 62.33 H new ATOM 0 HA LYS A 6 -4.231 -9.542 3.002 1.00 73.23 H new ATOM 0 HB2 LYS A 6 -6.941 -9.364 2.778 1.00 65.42 H new ATOM 0 HB3 LYS A 6 -5.978 -8.365 3.849 1.00 65.42 H new ATOM 0 HG2 LYS A 6 -5.996 -6.523 2.318 1.00 51.43 H new ATOM 0 HG3 LYS A 6 -6.601 -7.517 1.007 1.00 51.43 H new ATOM 0 HD2 LYS A 6 -8.153 -6.974 3.569 1.00 41.42 H new ATOM 0 HD3 LYS A 6 -8.335 -6.030 2.104 1.00 41.42 H new ATOM 0 HE2 LYS A 6 -8.654 -8.517 1.058 1.00 24.03 H new ATOM 0 HE3 LYS A 6 -9.216 -8.827 2.688 1.00 24.03 H new ATOM 0 HZ1 LYS A 6 -11.027 -8.152 1.251 1.00 64.44 H new ATOM 0 HZ2 LYS A 6 -10.788 -6.991 2.467 1.00 64.44 H new ATOM 0 HZ3 LYS A 6 -10.243 -6.690 0.887 1.00 64.44 H new ATOM 104 N ARG A 7 -6.233 -10.205 0.458 1.00 71.23 N ATOM 105 CA ARG A 7 -6.662 -11.263 -0.450 1.00 2.24 C ATOM 106 C ARG A 7 -5.637 -11.475 -1.560 1.00 71.01 C ATOM 107 O ARG A 7 -5.237 -12.604 -1.843 1.00 71.54 O ATOM 108 CB ARG A 7 -8.024 -10.922 -1.056 1.00 71.15 C ATOM 109 CG ARG A 7 -8.063 -9.568 -1.745 1.00 44.32 C ATOM 110 CD ARG A 7 -9.421 -8.902 -1.590 1.00 72.31 C ATOM 111 NE ARG A 7 -10.375 -9.364 -2.595 1.00 44.14 N ATOM 112 CZ ARG A 7 -11.647 -8.984 -2.631 1.00 0.22 C ATOM 113 NH1 ARG A 7 -12.116 -8.140 -1.722 1.00 22.11 N ATOM 114 NH2 ARG A 7 -12.453 -9.448 -3.577 1.00 51.43 N ATOM 0 H ARG A 7 -6.768 -9.340 0.381 1.00 71.23 H new ATOM 0 HA ARG A 7 -6.748 -12.187 0.122 1.00 2.24 H new ATOM 0 HB2 ARG A 7 -8.295 -11.694 -1.776 1.00 71.15 H new ATOM 0 HB3 ARG A 7 -8.777 -10.941 -0.269 1.00 71.15 H new ATOM 0 HG2 ARG A 7 -7.291 -8.923 -1.326 1.00 44.32 H new ATOM 0 HG3 ARG A 7 -7.836 -9.691 -2.804 1.00 44.32 H new ATOM 0 HD2 ARG A 7 -9.815 -9.108 -0.595 1.00 72.31 H new ATOM 0 HD3 ARG A 7 -9.306 -7.821 -1.669 1.00 72.31 H new ATOM 0 HE ARG A 7 -10.046 -10.014 -3.309 1.00 44.14 H new ATOM 0 HH11 ARG A 7 -11.499 -7.781 -0.993 1.00 22.11 H new ATOM 0 HH12 ARG A 7 -13.093 -7.850 -1.752 1.00 22.11 H new ATOM 0 HH21 ARG A 7 -12.096 -10.097 -4.278 1.00 51.43 H new ATOM 0 HH22 ARG A 7 -13.430 -9.155 -3.604 1.00 51.43 H new ATOM 128 N LYS A 8 -5.216 -10.381 -2.187 1.00 32.55 N ATOM 129 CA LYS A 8 -4.238 -10.446 -3.266 1.00 3.04 C ATOM 130 C LYS A 8 -2.816 -10.378 -2.716 1.00 54.21 C ATOM 131 O LYS A 8 -2.331 -9.305 -2.356 1.00 11.24 O ATOM 132 CB LYS A 8 -4.467 -9.304 -4.259 1.00 32.53 C ATOM 133 CG LYS A 8 -5.119 -9.749 -5.557 1.00 31.25 C ATOM 134 CD LYS A 8 -6.624 -9.545 -5.523 1.00 54.20 C ATOM 135 CE LYS A 8 -7.369 -10.859 -5.700 1.00 34.12 C ATOM 136 NZ LYS A 8 -8.841 -10.653 -5.801 1.00 22.45 N ATOM 0 H LYS A 8 -5.537 -9.439 -1.966 1.00 32.55 H new ATOM 0 HA LYS A 8 -4.365 -11.398 -3.781 1.00 3.04 H new ATOM 0 HB2 LYS A 8 -5.093 -8.545 -3.789 1.00 32.53 H new ATOM 0 HB3 LYS A 8 -3.510 -8.833 -4.485 1.00 32.53 H new ATOM 0 HG2 LYS A 8 -4.694 -9.189 -6.390 1.00 31.25 H new ATOM 0 HG3 LYS A 8 -4.897 -10.801 -5.735 1.00 31.25 H new ATOM 0 HD2 LYS A 8 -6.909 -9.089 -4.575 1.00 54.20 H new ATOM 0 HD3 LYS A 8 -6.916 -8.851 -6.311 1.00 54.20 H new ATOM 0 HE2 LYS A 8 -7.010 -11.362 -6.598 1.00 34.12 H new ATOM 0 HE3 LYS A 8 -7.151 -11.516 -4.858 1.00 34.12 H new ATOM 0 HZ1 LYS A 8 -9.330 -11.555 -5.632 1.00 22.45 H new ATOM 0 HZ2 LYS A 8 -9.144 -9.957 -5.090 1.00 22.45 H new ATOM 0 HZ3 LYS A 8 -9.078 -10.303 -6.751 1.00 22.45 H new ATOM 150 N CYS A 9 -2.154 -11.528 -2.656 1.00 55.14 N ATOM 151 CA CYS A 9 -0.788 -11.598 -2.151 1.00 62.24 C ATOM 152 C CYS A 9 0.184 -11.975 -3.265 1.00 5.54 C ATOM 153 O CYS A 9 0.708 -13.088 -3.315 1.00 4.52 O ATOM 154 CB CYS A 9 -0.695 -12.614 -1.012 1.00 2.45 C ATOM 155 SG CYS A 9 -1.414 -14.226 -1.399 1.00 72.52 S ATOM 0 H CYS A 9 -2.541 -12.424 -2.951 1.00 55.14 H new ATOM 0 HA CYS A 9 -0.515 -10.613 -1.773 1.00 62.24 H new ATOM 0 HB2 CYS A 9 0.353 -12.750 -0.746 1.00 2.45 H new ATOM 0 HB3 CYS A 9 -1.196 -12.206 -0.134 1.00 2.45 H new ATOM 0 HG CYS A 9 -1.284 -15.016 -0.375 1.00 72.52 H new ATOM 161 N PRO A 10 0.431 -11.026 -4.181 1.00 23.34 N ATOM 162 CA PRO A 10 1.341 -11.235 -5.311 1.00 31.30 C ATOM 163 C PRO A 10 2.798 -11.329 -4.873 1.00 24.35 C ATOM 164 O PRO A 10 3.525 -12.234 -5.286 1.00 33.10 O ATOM 165 CB PRO A 10 1.122 -9.992 -6.177 1.00 21.21 C ATOM 166 CG PRO A 10 0.642 -8.949 -5.228 1.00 32.22 C ATOM 167 CD PRO A 10 -0.158 -9.677 -4.183 1.00 12.11 C ATOM 0 HA PRO A 10 1.139 -12.173 -5.828 1.00 31.30 H new ATOM 0 HB2 PRO A 10 2.045 -9.685 -6.669 1.00 21.21 H new ATOM 0 HB3 PRO A 10 0.389 -10.180 -6.962 1.00 21.21 H new ATOM 0 HG2 PRO A 10 1.479 -8.416 -4.777 1.00 32.22 H new ATOM 0 HG3 PRO A 10 0.030 -8.207 -5.741 1.00 32.22 H new ATOM 0 HD2 PRO A 10 -0.072 -9.200 -3.207 1.00 12.11 H new ATOM 0 HD3 PRO A 10 -1.218 -9.702 -4.434 1.00 12.11 H new ATOM 175 N LEU A 11 3.220 -10.390 -4.033 1.00 65.12 N ATOM 176 CA LEU A 11 4.592 -10.367 -3.538 1.00 24.33 C ATOM 177 C LEU A 11 4.632 -10.611 -2.032 1.00 52.44 C ATOM 178 O LEU A 11 4.934 -11.715 -1.579 1.00 50.32 O ATOM 179 CB LEU A 11 5.252 -9.027 -3.867 1.00 1.14 C ATOM 180 CG LEU A 11 4.371 -8.003 -4.584 1.00 22.40 C ATOM 181 CD1 LEU A 11 4.972 -6.611 -4.473 1.00 1.22 C ATOM 182 CD2 LEU A 11 4.184 -8.391 -6.044 1.00 2.43 C ATOM 0 H LEU A 11 2.632 -9.635 -3.681 1.00 65.12 H new ATOM 0 HA LEU A 11 5.143 -11.167 -4.032 1.00 24.33 H new ATOM 0 HB2 LEU A 11 5.609 -8.582 -2.938 1.00 1.14 H new ATOM 0 HB3 LEU A 11 6.129 -9.219 -4.486 1.00 1.14 H new ATOM 0 HG LEU A 11 3.393 -7.993 -4.103 1.00 22.40 H new ATOM 0 HD11 LEU A 11 4.331 -5.896 -4.989 1.00 1.22 H new ATOM 0 HD12 LEU A 11 5.054 -6.333 -3.422 1.00 1.22 H new ATOM 0 HD13 LEU A 11 5.962 -6.605 -4.928 1.00 1.22 H new ATOM 0 HD21 LEU A 11 3.555 -7.652 -6.539 1.00 2.43 H new ATOM 0 HD22 LEU A 11 5.155 -8.430 -6.537 1.00 2.43 H new ATOM 0 HD23 LEU A 11 3.708 -9.370 -6.102 1.00 2.43 H new ATOM 194 N PHE A 12 4.322 -9.573 -1.262 1.00 44.22 N ATOM 195 CA PHE A 12 4.321 -9.674 0.193 1.00 42.15 C ATOM 196 C PHE A 12 2.954 -9.307 0.762 1.00 10.10 C ATOM 197 O PHE A 12 2.702 -8.153 1.105 1.00 54.30 O ATOM 198 CB PHE A 12 5.396 -8.763 0.789 1.00 10.22 C ATOM 199 CG PHE A 12 5.878 -7.703 -0.160 1.00 14.23 C ATOM 200 CD1 PHE A 12 5.186 -6.510 -0.295 1.00 43.24 C ATOM 201 CD2 PHE A 12 7.022 -7.900 -0.916 1.00 55.25 C ATOM 202 CE1 PHE A 12 5.627 -5.532 -1.167 1.00 71.15 C ATOM 203 CE2 PHE A 12 7.467 -6.926 -1.790 1.00 2.43 C ATOM 204 CZ PHE A 12 6.768 -5.741 -1.916 1.00 44.13 C ATOM 0 H PHE A 12 4.068 -8.653 -1.621 1.00 44.22 H new ATOM 0 HA PHE A 12 4.541 -10.707 0.461 1.00 42.15 H new ATOM 0 HB2 PHE A 12 5.000 -8.284 1.684 1.00 10.22 H new ATOM 0 HB3 PHE A 12 6.244 -9.372 1.102 1.00 10.22 H new ATOM 0 HD1 PHE A 12 4.292 -6.342 0.288 1.00 43.24 H new ATOM 0 HD2 PHE A 12 7.572 -8.825 -0.821 1.00 55.25 H new ATOM 0 HE1 PHE A 12 5.080 -4.606 -1.262 1.00 71.15 H new ATOM 0 HE2 PHE A 12 8.360 -7.091 -2.374 1.00 2.43 H new ATOM 0 HZ PHE A 12 7.113 -4.979 -2.599 1.00 44.13 H new ATOM 214 N GLY A 13 2.074 -10.299 0.859 1.00 20.10 N ATOM 215 CA GLY A 13 0.743 -10.061 1.386 1.00 21.33 C ATOM 216 C GLY A 13 0.656 -10.319 2.878 1.00 73.05 C ATOM 217 O GLY A 13 -0.372 -10.054 3.502 1.00 4.22 O ATOM 0 H GLY A 13 2.259 -11.263 0.582 1.00 20.10 H new ATOM 0 HA2 GLY A 13 0.453 -9.030 1.181 1.00 21.33 H new ATOM 0 HA3 GLY A 13 0.030 -10.702 0.867 1.00 21.33 H new ATOM 221 N LYS A 14 1.736 -10.839 3.451 1.00 74.44 N ATOM 222 CA LYS A 14 1.778 -11.134 4.878 1.00 71.30 C ATOM 223 C LYS A 14 1.444 -9.894 5.700 1.00 3.50 C ATOM 224 O LYS A 14 0.646 -9.952 6.634 1.00 20.23 O ATOM 225 CB LYS A 14 3.160 -11.662 5.270 1.00 71.22 C ATOM 226 CG LYS A 14 4.302 -10.763 4.829 1.00 11.13 C ATOM 227 CD LYS A 14 5.651 -11.423 5.057 1.00 23.13 C ATOM 228 CE LYS A 14 5.922 -12.509 4.027 1.00 35.34 C ATOM 229 NZ LYS A 14 5.624 -13.867 4.562 1.00 2.12 N ATOM 0 H LYS A 14 2.594 -11.065 2.949 1.00 74.44 H new ATOM 0 HA LYS A 14 1.031 -11.899 5.088 1.00 71.30 H new ATOM 0 HB2 LYS A 14 3.200 -11.782 6.353 1.00 71.22 H new ATOM 0 HB3 LYS A 14 3.299 -12.652 4.834 1.00 71.22 H new ATOM 0 HG2 LYS A 14 4.188 -10.521 3.772 1.00 11.13 H new ATOM 0 HG3 LYS A 14 4.259 -9.822 5.378 1.00 11.13 H new ATOM 0 HD2 LYS A 14 6.438 -10.670 5.009 1.00 23.13 H new ATOM 0 HD3 LYS A 14 5.682 -11.854 6.058 1.00 23.13 H new ATOM 0 HE2 LYS A 14 5.316 -12.327 3.139 1.00 35.34 H new ATOM 0 HE3 LYS A 14 6.966 -12.462 3.716 1.00 35.34 H new ATOM 0 HZ1 LYS A 14 6.514 -14.384 4.713 1.00 2.12 H new ATOM 0 HZ2 LYS A 14 5.116 -13.780 5.466 1.00 2.12 H new ATOM 0 HZ3 LYS A 14 5.033 -14.386 3.882 1.00 2.12 H new ATOM 243 N GLY A 15 2.060 -8.770 5.344 1.00 23.05 N ATOM 244 CA GLY A 15 1.814 -7.531 6.059 1.00 62.01 C ATOM 245 C GLY A 15 1.261 -6.443 5.160 1.00 60.34 C ATOM 246 O GLY A 15 0.637 -5.494 5.633 1.00 63.41 O ATOM 0 H GLY A 15 2.724 -8.696 4.574 1.00 23.05 H new ATOM 0 HA2 GLY A 15 1.113 -7.717 6.872 1.00 62.01 H new ATOM 0 HA3 GLY A 15 2.743 -7.186 6.512 1.00 62.01 H new ATOM 250 N GLY A 16 1.491 -6.580 3.857 1.00 24.12 N ATOM 251 CA GLY A 16 1.006 -5.593 2.910 1.00 5.14 C ATOM 252 C GLY A 16 1.386 -4.179 3.302 1.00 12.42 C ATOM 253 O GLY A 16 0.579 -3.450 3.880 1.00 42.13 O ATOM 0 H GLY A 16 2.004 -7.357 3.441 1.00 24.12 H new ATOM 0 HA2 GLY A 16 1.409 -5.814 1.921 1.00 5.14 H new ATOM 0 HA3 GLY A 16 -0.079 -5.667 2.836 1.00 5.14 H new TER 257 GLY A 16