USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 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+ 141:sc= -0.383 (180deg=-0.512) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 114:sc= -0.148 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.859 -4.797 -4.910 1.00 1.32 N ATOM 2 CA VAL A 1 5.956 -4.005 -4.084 1.00 13.32 C ATOM 3 C VAL A 1 4.534 -4.041 -4.634 1.00 22.05 C ATOM 4 O VAL A 1 4.327 -4.197 -5.836 1.00 51.05 O ATOM 5 CB VAL A 1 6.421 -2.539 -3.990 1.00 33.34 C ATOM 6 CG1 VAL A 1 7.713 -2.439 -3.194 1.00 64.23 C ATOM 7 CG2 VAL A 1 6.593 -1.945 -5.379 1.00 74.04 C ATOM 0 H1 VAL A 1 7.774 -4.309 -4.990 1.00 1.32 H new ATOM 0 H2 VAL A 1 7.001 -5.730 -4.473 1.00 1.32 H new ATOM 0 H3 VAL A 1 6.447 -4.918 -5.857 1.00 1.32 H new ATOM 0 HA VAL A 1 5.969 -4.447 -3.088 1.00 13.32 H new ATOM 0 HB VAL A 1 5.655 -1.966 -3.467 1.00 33.34 H new ATOM 0 HG11 VAL A 1 8.026 -1.396 -3.138 1.00 64.23 H new ATOM 0 HG12 VAL A 1 7.551 -2.824 -2.187 1.00 64.23 H new ATOM 0 HG13 VAL A 1 8.489 -3.025 -3.685 1.00 64.23 H new ATOM 0 HG21 VAL A 1 6.922 -0.909 -5.294 1.00 74.04 H new ATOM 0 HG22 VAL A 1 7.339 -2.518 -5.930 1.00 74.04 H new ATOM 0 HG23 VAL A 1 5.642 -1.981 -5.911 1.00 74.04 H new ATOM 17 N ALA A 2 3.558 -3.895 -3.744 1.00 33.41 N ATOM 18 CA ALA A 2 2.155 -3.909 -4.140 1.00 40.02 C ATOM 19 C ALA A 2 1.496 -2.561 -3.871 1.00 54.54 C ATOM 20 O ALA A 2 1.051 -2.288 -2.756 1.00 44.51 O ATOM 21 CB ALA A 2 1.411 -5.017 -3.410 1.00 60.42 C ATOM 0 H ALA A 2 3.713 -3.766 -2.744 1.00 33.41 H new ATOM 0 HA ALA A 2 2.108 -4.100 -5.212 1.00 40.02 H new ATOM 0 HB1 ALA A 2 0.365 -5.015 -3.716 1.00 60.42 H new ATOM 0 HB2 ALA A 2 1.859 -5.980 -3.656 1.00 60.42 H new ATOM 0 HB3 ALA A 2 1.475 -4.851 -2.335 1.00 60.42 H new ATOM 27 N ARG A 3 1.436 -1.721 -4.900 1.00 11.23 N ATOM 28 CA ARG A 3 0.832 -0.400 -4.773 1.00 43.33 C ATOM 29 C ARG A 3 -0.446 -0.305 -5.601 1.00 40.41 C ATOM 30 O ARG A 3 -0.401 -0.281 -6.830 1.00 53.53 O ATOM 31 CB ARG A 3 1.821 0.681 -5.216 1.00 32.41 C ATOM 32 CG ARG A 3 3.132 0.658 -4.447 1.00 51.32 C ATOM 33 CD ARG A 3 3.297 1.905 -3.592 1.00 24.42 C ATOM 34 NE ARG A 3 4.652 2.027 -3.060 1.00 11.43 N ATOM 35 CZ ARG A 3 5.111 1.305 -2.044 1.00 72.30 C ATOM 36 NH1 ARG A 3 4.328 0.412 -1.454 1.00 51.01 N ATOM 37 NH2 ARG A 3 6.356 1.474 -1.617 1.00 34.12 N ATOM 0 H ARG A 3 1.798 -1.932 -5.830 1.00 11.23 H new ATOM 0 HA ARG A 3 0.578 -0.243 -3.725 1.00 43.33 H new ATOM 0 HB2 ARG A 3 2.030 0.557 -6.278 1.00 32.41 H new ATOM 0 HB3 ARG A 3 1.356 1.659 -5.095 1.00 32.41 H new ATOM 0 HG2 ARG A 3 3.167 -0.227 -3.812 1.00 51.32 H new ATOM 0 HG3 ARG A 3 3.964 0.582 -5.147 1.00 51.32 H new ATOM 0 HD2 ARG A 3 3.060 2.787 -4.187 1.00 24.42 H new ATOM 0 HD3 ARG A 3 2.585 1.876 -2.767 1.00 24.42 H new ATOM 0 HE ARG A 3 5.280 2.704 -3.493 1.00 11.43 H new ATOM 0 HH11 ARG A 3 3.371 0.278 -1.780 1.00 51.01 H new ATOM 0 HH12 ARG A 3 4.683 -0.141 -0.674 1.00 51.01 H new ATOM 0 HH21 ARG A 3 6.962 2.159 -2.069 1.00 34.12 H new ATOM 0 HH22 ARG A 3 6.707 0.919 -0.837 1.00 34.12 H new ATOM 51 N GLY A 4 -1.585 -0.251 -4.918 1.00 33.25 N ATOM 52 CA GLY A 4 -2.860 -0.160 -5.606 1.00 23.13 C ATOM 53 C GLY A 4 -3.384 1.261 -5.669 1.00 71.30 C ATOM 54 O GLY A 4 -4.432 1.568 -5.101 1.00 51.31 O ATOM 0 H GLY A 4 -1.648 -0.269 -3.900 1.00 33.25 H new ATOM 0 HA2 GLY A 4 -2.752 -0.549 -6.618 1.00 23.13 H new ATOM 0 HA3 GLY A 4 -3.589 -0.791 -5.098 1.00 23.13 H new ATOM 58 N TRP A 5 -2.654 2.129 -6.360 1.00 21.43 N ATOM 59 CA TRP A 5 -3.051 3.526 -6.493 1.00 72.43 C ATOM 60 C TRP A 5 -3.406 3.855 -7.939 1.00 73.31 C ATOM 61 O TRP A 5 -3.629 5.015 -8.286 1.00 21.12 O ATOM 62 CB TRP A 5 -1.929 4.445 -6.009 1.00 22.10 C ATOM 63 CG TRP A 5 -1.973 4.710 -4.534 1.00 64.15 C ATOM 64 CD1 TRP A 5 -1.291 4.037 -3.560 1.00 55.43 C ATOM 65 CD2 TRP A 5 -2.739 5.718 -3.867 1.00 55.34 C ATOM 66 NE1 TRP A 5 -1.589 4.567 -2.328 1.00 2.12 N ATOM 67 CE2 TRP A 5 -2.474 5.600 -2.489 1.00 71.21 C ATOM 68 CE3 TRP A 5 -3.623 6.711 -4.300 1.00 63.12 C ATOM 69 CZ2 TRP A 5 -3.062 6.436 -1.544 1.00 2.04 C ATOM 70 CZ3 TRP A 5 -4.205 7.540 -3.361 1.00 35.24 C ATOM 71 CH2 TRP A 5 -3.923 7.399 -1.995 1.00 63.05 C ATOM 0 H TRP A 5 -1.784 1.890 -6.837 1.00 21.43 H new ATOM 0 HA TRP A 5 -3.935 3.687 -5.875 1.00 72.43 H new ATOM 0 HB2 TRP A 5 -0.968 3.997 -6.262 1.00 22.10 H new ATOM 0 HB3 TRP A 5 -1.990 5.393 -6.543 1.00 22.10 H new ATOM 0 HD1 TRP A 5 -0.617 3.211 -3.733 1.00 55.43 H new ATOM 0 HE1 TRP A 5 -1.212 4.243 -1.437 1.00 2.12 H new ATOM 0 HE3 TRP A 5 -3.847 6.828 -5.350 1.00 63.12 H new ATOM 0 HZ2 TRP A 5 -2.846 6.328 -0.491 1.00 2.04 H new ATOM 0 HZ3 TRP A 5 -4.889 8.310 -3.685 1.00 35.24 H new ATOM 0 HH2 TRP A 5 -4.394 8.063 -1.285 1.00 63.05 H new ATOM 82 N LYS A 6 -3.458 2.827 -8.780 1.00 12.03 N ATOM 83 CA LYS A 6 -3.788 3.006 -10.189 1.00 10.34 C ATOM 84 C LYS A 6 -5.035 2.211 -10.561 1.00 13.11 C ATOM 85 O LYS A 6 -5.270 1.920 -11.734 1.00 12.12 O ATOM 86 CB LYS A 6 -2.613 2.573 -11.068 1.00 22.01 C ATOM 87 CG LYS A 6 -2.176 1.137 -10.835 1.00 72.13 C ATOM 88 CD LYS A 6 -0.906 1.068 -10.004 1.00 35.25 C ATOM 89 CE LYS A 6 0.321 0.858 -10.877 1.00 21.43 C ATOM 90 NZ LYS A 6 1.102 -0.339 -10.457 1.00 71.01 N ATOM 0 H LYS A 6 -3.276 1.861 -8.510 1.00 12.03 H new ATOM 0 HA LYS A 6 -3.989 4.064 -10.358 1.00 10.34 H new ATOM 0 HB2 LYS A 6 -2.890 2.694 -12.115 1.00 22.01 H new ATOM 0 HB3 LYS A 6 -1.768 3.236 -10.883 1.00 22.01 H new ATOM 0 HG2 LYS A 6 -2.973 0.591 -10.330 1.00 72.13 H new ATOM 0 HG3 LYS A 6 -2.011 0.646 -11.794 1.00 72.13 H new ATOM 0 HD2 LYS A 6 -0.794 1.989 -9.432 1.00 35.25 H new ATOM 0 HD3 LYS A 6 -0.985 0.254 -9.284 1.00 35.25 H new ATOM 0 HE2 LYS A 6 0.012 0.744 -11.916 1.00 21.43 H new ATOM 0 HE3 LYS A 6 0.957 1.742 -10.829 1.00 21.43 H new ATOM 0 HZ1 LYS A 6 1.930 -0.448 -11.076 1.00 71.01 H new ATOM 0 HZ2 LYS A 6 1.418 -0.219 -9.474 1.00 71.01 H new ATOM 0 HZ3 LYS A 6 0.503 -1.186 -10.527 1.00 71.01 H new ATOM 104 N ARG A 7 -5.832 1.864 -9.555 1.00 71.15 N ATOM 105 CA ARG A 7 -7.056 1.103 -9.778 1.00 65.30 C ATOM 106 C ARG A 7 -8.275 1.879 -9.291 1.00 13.50 C ATOM 107 O ARG A 7 -9.005 2.473 -10.085 1.00 71.14 O ATOM 108 CB ARG A 7 -6.979 -0.247 -9.063 1.00 64.50 C ATOM 109 CG ARG A 7 -5.985 -1.212 -9.689 1.00 22.31 C ATOM 110 CD ARG A 7 -5.040 -1.792 -8.648 1.00 31.21 C ATOM 111 NE ARG A 7 -4.020 -2.646 -9.250 1.00 45.10 N ATOM 112 CZ ARG A 7 -3.260 -3.485 -8.555 1.00 22.10 C ATOM 113 NH1 ARG A 7 -3.405 -3.583 -7.241 1.00 13.02 N ATOM 114 NH2 ARG A 7 -2.353 -4.229 -9.175 1.00 25.13 N ATOM 0 H ARG A 7 -5.652 2.098 -8.579 1.00 71.15 H new ATOM 0 HA ARG A 7 -7.159 0.934 -10.850 1.00 65.30 H new ATOM 0 HB2 ARG A 7 -6.705 -0.082 -8.021 1.00 64.50 H new ATOM 0 HB3 ARG A 7 -7.968 -0.706 -9.064 1.00 64.50 H new ATOM 0 HG2 ARG A 7 -6.523 -2.020 -10.184 1.00 22.31 H new ATOM 0 HG3 ARG A 7 -5.409 -0.696 -10.457 1.00 22.31 H new ATOM 0 HD2 ARG A 7 -4.558 -0.980 -8.104 1.00 31.21 H new ATOM 0 HD3 ARG A 7 -5.612 -2.368 -7.920 1.00 31.21 H new ATOM 0 HE ARG A 7 -3.884 -2.596 -10.260 1.00 45.10 H new ATOM 0 HH11 ARG A 7 -4.102 -3.013 -6.761 1.00 13.02 H new ATOM 0 HH12 ARG A 7 -2.820 -4.228 -6.710 1.00 13.02 H new ATOM 0 HH21 ARG A 7 -2.239 -4.157 -10.186 1.00 25.13 H new ATOM 0 HH22 ARG A 7 -1.770 -4.873 -8.641 1.00 25.13 H new ATOM 128 N LYS A 8 -8.491 1.871 -7.980 1.00 22.01 N ATOM 129 CA LYS A 8 -9.621 2.575 -7.385 1.00 70.42 C ATOM 130 C LYS A 8 -9.194 3.939 -6.853 1.00 62.15 C ATOM 131 O LYS A 8 -9.987 4.652 -6.238 1.00 33.44 O ATOM 132 CB LYS A 8 -10.229 1.742 -6.254 1.00 64.11 C ATOM 133 CG LYS A 8 -9.276 1.503 -5.096 1.00 21.35 C ATOM 134 CD LYS A 8 -8.850 0.046 -5.016 1.00 4.43 C ATOM 135 CE LYS A 8 -7.822 -0.174 -3.916 1.00 32.10 C ATOM 136 NZ LYS A 8 -6.842 -1.235 -4.277 1.00 61.24 N ATOM 0 H LYS A 8 -7.897 1.384 -7.308 1.00 22.01 H new ATOM 0 HA LYS A 8 -10.372 2.726 -8.161 1.00 70.42 H new ATOM 0 HB2 LYS A 8 -11.121 2.246 -5.882 1.00 64.11 H new ATOM 0 HB3 LYS A 8 -10.550 0.780 -6.654 1.00 64.11 H new ATOM 0 HG2 LYS A 8 -8.395 2.135 -5.212 1.00 21.35 H new ATOM 0 HG3 LYS A 8 -9.756 1.794 -4.162 1.00 21.35 H new ATOM 0 HD2 LYS A 8 -9.723 -0.580 -4.830 1.00 4.43 H new ATOM 0 HD3 LYS A 8 -8.432 -0.265 -5.973 1.00 4.43 H new ATOM 0 HE2 LYS A 8 -7.292 0.759 -3.722 1.00 32.10 H new ATOM 0 HE3 LYS A 8 -8.331 -0.449 -2.993 1.00 32.10 H new ATOM 0 HZ1 LYS A 8 -6.159 -1.355 -3.502 1.00 61.24 H new ATOM 0 HZ2 LYS A 8 -7.344 -2.131 -4.437 1.00 61.24 H new ATOM 0 HZ3 LYS A 8 -6.337 -0.961 -5.144 1.00 61.24 H new ATOM 150 N CYS A 9 -7.938 4.296 -7.096 1.00 42.42 N ATOM 151 CA CYS A 9 -7.406 5.576 -6.642 1.00 43.41 C ATOM 152 C CYS A 9 -6.909 6.408 -7.820 1.00 74.25 C ATOM 153 O CYS A 9 -5.709 6.533 -8.062 1.00 24.23 O ATOM 154 CB CYS A 9 -6.268 5.354 -5.644 1.00 54.20 C ATOM 155 SG CYS A 9 -6.649 4.154 -4.346 1.00 51.31 S ATOM 0 H CYS A 9 -7.269 3.718 -7.605 1.00 42.42 H new ATOM 0 HA CYS A 9 -8.211 6.121 -6.150 1.00 43.41 H new ATOM 0 HB2 CYS A 9 -5.384 5.019 -6.186 1.00 54.20 H new ATOM 0 HB3 CYS A 9 -6.015 6.307 -5.180 1.00 54.20 H new ATOM 0 HG CYS A 9 -5.879 3.115 -4.476 1.00 51.31 H new ATOM 161 N PRO A 10 -7.854 6.989 -8.574 1.00 52.42 N ATOM 162 CA PRO A 10 -7.537 7.818 -9.741 1.00 50.10 C ATOM 163 C PRO A 10 -6.892 9.144 -9.352 1.00 53.13 C ATOM 164 O PRO A 10 -7.507 10.205 -9.475 1.00 62.41 O ATOM 165 CB PRO A 10 -8.903 8.057 -10.388 1.00 54.33 C ATOM 166 CG PRO A 10 -9.881 7.917 -9.273 1.00 3.34 C ATOM 167 CD PRO A 10 -9.305 6.883 -8.345 1.00 41.30 C ATOM 0 HA PRO A 10 -6.817 7.335 -10.401 1.00 50.10 H new ATOM 0 HB2 PRO A 10 -8.958 9.047 -10.841 1.00 54.33 H new ATOM 0 HB3 PRO A 10 -9.098 7.333 -11.179 1.00 54.33 H new ATOM 0 HG2 PRO A 10 -10.025 8.867 -8.758 1.00 3.34 H new ATOM 0 HG3 PRO A 10 -10.857 7.606 -9.646 1.00 3.34 H new ATOM 0 HD2 PRO A 10 -9.564 7.087 -7.306 1.00 41.30 H new ATOM 0 HD3 PRO A 10 -9.676 5.885 -8.576 1.00 41.30 H new ATOM 175 N LEU A 11 -5.651 9.078 -8.883 1.00 51.15 N ATOM 176 CA LEU A 11 -4.922 10.275 -8.477 1.00 32.41 C ATOM 177 C LEU A 11 -3.639 10.432 -9.286 1.00 61.24 C ATOM 178 O LEU A 11 -3.474 11.402 -10.026 1.00 72.14 O ATOM 179 CB LEU A 11 -4.593 10.213 -6.984 1.00 62.54 C ATOM 180 CG LEU A 11 -5.548 10.961 -6.055 1.00 12.34 C ATOM 181 CD1 LEU A 11 -5.172 10.725 -4.600 1.00 72.21 C ATOM 182 CD2 LEU A 11 -5.545 12.449 -6.373 1.00 13.41 C ATOM 0 H LEU A 11 -5.128 8.209 -8.774 1.00 51.15 H new ATOM 0 HA LEU A 11 -5.557 11.140 -8.668 1.00 32.41 H new ATOM 0 HB2 LEU A 11 -4.569 9.166 -6.681 1.00 62.54 H new ATOM 0 HB3 LEU A 11 -3.589 10.611 -6.837 1.00 62.54 H new ATOM 0 HG LEU A 11 -6.555 10.577 -6.216 1.00 12.34 H new ATOM 0 HD11 LEU A 11 -5.863 11.266 -3.953 1.00 72.21 H new ATOM 0 HD12 LEU A 11 -5.226 9.659 -4.379 1.00 72.21 H new ATOM 0 HD13 LEU A 11 -4.157 11.081 -4.424 1.00 72.21 H new ATOM 0 HD21 LEU A 11 -6.231 12.966 -5.702 1.00 13.41 H new ATOM 0 HD22 LEU A 11 -4.539 12.847 -6.241 1.00 13.41 H new ATOM 0 HD23 LEU A 11 -5.863 12.601 -7.404 1.00 13.41 H new ATOM 194 N PHE A 12 -2.733 9.470 -9.142 1.00 51.14 N ATOM 195 CA PHE A 12 -1.465 9.501 -9.861 1.00 63.12 C ATOM 196 C PHE A 12 -1.544 8.673 -11.141 1.00 14.33 C ATOM 197 O PHE A 12 -0.547 8.114 -11.595 1.00 1.43 O ATOM 198 CB PHE A 12 -0.337 8.976 -8.970 1.00 43.24 C ATOM 199 CG PHE A 12 -0.303 9.610 -7.609 1.00 54.33 C ATOM 200 CD1 PHE A 12 -1.105 9.130 -6.587 1.00 34.22 C ATOM 201 CD2 PHE A 12 0.530 10.687 -7.353 1.00 14.44 C ATOM 202 CE1 PHE A 12 -1.077 9.711 -5.333 1.00 21.11 C ATOM 203 CE2 PHE A 12 0.563 11.272 -6.101 1.00 13.23 C ATOM 204 CZ PHE A 12 -0.242 10.784 -5.090 1.00 54.20 C ATOM 0 H PHE A 12 -2.854 8.660 -8.534 1.00 51.14 H new ATOM 0 HA PHE A 12 -1.255 10.536 -10.131 1.00 63.12 H new ATOM 0 HB2 PHE A 12 -0.446 7.897 -8.857 1.00 43.24 H new ATOM 0 HB3 PHE A 12 0.618 9.149 -9.467 1.00 43.24 H new ATOM 0 HD1 PHE A 12 -1.760 8.292 -6.772 1.00 34.22 H new ATOM 0 HD2 PHE A 12 1.160 11.074 -8.140 1.00 14.44 H new ATOM 0 HE1 PHE A 12 -1.707 9.327 -4.545 1.00 21.11 H new ATOM 0 HE2 PHE A 12 1.218 12.110 -5.913 1.00 13.23 H new ATOM 0 HZ PHE A 12 -0.218 11.241 -4.112 1.00 54.20 H new ATOM 214 N GLY A 13 -2.740 8.600 -11.717 1.00 72.54 N ATOM 215 CA GLY A 13 -2.929 7.838 -12.938 1.00 53.12 C ATOM 216 C GLY A 13 -2.183 8.435 -14.115 1.00 75.11 C ATOM 217 O GLY A 13 -1.325 7.784 -14.711 1.00 21.11 O ATOM 0 H GLY A 13 -3.581 9.054 -11.360 1.00 72.54 H new ATOM 0 HA2 GLY A 13 -2.591 6.814 -12.779 1.00 53.12 H new ATOM 0 HA3 GLY A 13 -3.993 7.790 -13.172 1.00 53.12 H new ATOM 221 N LYS A 14 -2.512 9.677 -14.453 1.00 41.23 N ATOM 222 CA LYS A 14 -1.868 10.363 -15.567 1.00 40.12 C ATOM 223 C LYS A 14 -0.362 10.461 -15.348 1.00 64.24 C ATOM 224 O LYS A 14 0.097 11.058 -14.375 1.00 73.13 O ATOM 225 CB LYS A 14 -2.460 11.763 -15.742 1.00 15.31 C ATOM 226 CG LYS A 14 -3.947 11.760 -16.052 1.00 15.24 C ATOM 227 CD LYS A 14 -4.212 12.041 -17.521 1.00 44.13 C ATOM 228 CE LYS A 14 -4.691 13.468 -17.739 1.00 3.34 C ATOM 229 NZ LYS A 14 -5.711 13.552 -18.820 1.00 42.33 N ATOM 0 H LYS A 14 -3.221 10.229 -13.971 1.00 41.23 H new ATOM 0 HA LYS A 14 -2.049 9.783 -16.472 1.00 40.12 H new ATOM 0 HB2 LYS A 14 -2.288 12.337 -14.832 1.00 15.31 H new ATOM 0 HB3 LYS A 14 -1.931 12.274 -16.546 1.00 15.31 H new ATOM 0 HG2 LYS A 14 -4.373 10.794 -15.783 1.00 15.24 H new ATOM 0 HG3 LYS A 14 -4.448 12.511 -15.441 1.00 15.24 H new ATOM 0 HD2 LYS A 14 -3.301 11.870 -18.095 1.00 44.13 H new ATOM 0 HD3 LYS A 14 -4.961 11.344 -17.896 1.00 44.13 H new ATOM 0 HE2 LYS A 14 -5.112 13.855 -16.811 1.00 3.34 H new ATOM 0 HE3 LYS A 14 -3.841 14.102 -17.992 1.00 3.34 H new ATOM 0 HZ1 LYS A 14 -6.012 14.541 -18.937 1.00 42.33 H new ATOM 0 HZ2 LYS A 14 -5.301 13.206 -19.711 1.00 42.33 H new ATOM 0 HZ3 LYS A 14 -6.533 12.968 -18.567 1.00 42.33 H new ATOM 243 N GLY A 15 0.404 9.871 -16.262 1.00 2.05 N ATOM 244 CA GLY A 15 1.851 9.905 -16.150 1.00 72.33 C ATOM 245 C GLY A 15 2.471 11.006 -16.987 1.00 61.23 C ATOM 246 O GLY A 15 2.327 12.187 -16.677 1.00 12.44 O ATOM 0 H GLY A 15 0.049 9.371 -17.077 1.00 2.05 H new ATOM 0 HA2 GLY A 15 2.128 10.047 -15.105 1.00 72.33 H new ATOM 0 HA3 GLY A 15 2.259 8.943 -16.460 1.00 72.33 H new ATOM 250 N GLY A 16 3.166 10.618 -18.052 1.00 71.45 N ATOM 251 CA GLY A 16 3.802 11.593 -18.919 1.00 72.30 C ATOM 252 C GLY A 16 2.813 12.289 -19.833 1.00 34.43 C ATOM 253 O GLY A 16 1.711 11.789 -20.061 1.00 12.42 O ATOM 0 H GLY A 16 3.300 9.646 -18.330 1.00 71.45 H new ATOM 0 HA2 GLY A 16 4.314 12.337 -18.309 1.00 72.30 H new ATOM 0 HA3 GLY A 16 4.562 11.097 -19.522 1.00 72.30 H new TER 257 GLY A 16