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+ -151:sc= -0.0847 (180deg=-0.613) 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 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.788 0.510 0.580 1.00 71.21 N ATOM 2 CA VAL A 1 2.549 -0.559 -0.383 1.00 2.30 C ATOM 3 C VAL A 1 3.834 -1.322 -0.687 1.00 54.50 C ATOM 4 O VAL A 1 4.596 -0.944 -1.576 1.00 71.34 O ATOM 5 CB VAL A 1 1.968 -0.009 -1.699 1.00 51.30 C ATOM 6 CG1 VAL A 1 1.553 -1.148 -2.617 1.00 63.32 C ATOM 7 CG2 VAL A 1 0.792 0.914 -1.417 1.00 42.50 C ATOM 0 H1 VAL A 1 1.922 0.681 1.130 1.00 71.21 H new ATOM 0 H2 VAL A 1 3.557 0.233 1.222 1.00 71.21 H new ATOM 0 H3 VAL A 1 3.055 1.379 0.075 1.00 71.21 H new ATOM 0 HA VAL A 1 1.826 -1.237 0.070 1.00 2.30 H new ATOM 0 HB VAL A 1 2.742 0.569 -2.204 1.00 51.30 H new ATOM 0 HG11 VAL A 1 1.145 -0.740 -3.542 1.00 63.32 H new ATOM 0 HG12 VAL A 1 2.421 -1.766 -2.845 1.00 63.32 H new ATOM 0 HG13 VAL A 1 0.795 -1.756 -2.123 1.00 63.32 H new ATOM 0 HG21 VAL A 1 0.394 1.294 -2.358 1.00 42.50 H new ATOM 0 HG22 VAL A 1 0.014 0.361 -0.890 1.00 42.50 H new ATOM 0 HG23 VAL A 1 1.125 1.749 -0.801 1.00 42.50 H new ATOM 17 N ALA A 2 4.067 -2.397 0.058 1.00 72.33 N ATOM 18 CA ALA A 2 5.258 -3.215 -0.134 1.00 31.42 C ATOM 19 C ALA A 2 4.926 -4.500 -0.885 1.00 23.41 C ATOM 20 O ALA A 2 5.399 -5.579 -0.526 1.00 75.45 O ATOM 21 CB ALA A 2 5.899 -3.537 1.208 1.00 11.42 C ATOM 0 H ALA A 2 3.447 -2.722 0.800 1.00 72.33 H new ATOM 0 HA ALA A 2 5.966 -2.646 -0.736 1.00 31.42 H new ATOM 0 HB1 ALA A 2 6.787 -4.148 1.050 1.00 11.42 H new ATOM 0 HB2 ALA A 2 6.181 -2.610 1.708 1.00 11.42 H new ATOM 0 HB3 ALA A 2 5.189 -4.083 1.829 1.00 11.42 H new ATOM 27 N ARG A 3 4.111 -4.377 -1.927 1.00 64.54 N ATOM 28 CA ARG A 3 3.715 -5.530 -2.728 1.00 23.03 C ATOM 29 C ARG A 3 4.928 -6.380 -3.095 1.00 4.23 C ATOM 30 O ARG A 3 4.806 -7.577 -3.349 1.00 62.15 O ATOM 31 CB ARG A 3 2.996 -5.073 -3.998 1.00 43.22 C ATOM 32 CG ARG A 3 2.853 -6.166 -5.044 1.00 61.30 C ATOM 33 CD ARG A 3 2.475 -5.593 -6.401 1.00 35.42 C ATOM 34 NE ARG A 3 1.260 -6.205 -6.934 1.00 23.41 N ATOM 35 CZ ARG A 3 0.790 -5.965 -8.153 1.00 2.22 C ATOM 36 NH1 ARG A 3 1.429 -5.130 -8.961 1.00 24.14 N ATOM 37 NH2 ARG A 3 -0.321 -6.560 -8.566 1.00 72.30 N ATOM 0 H ARG A 3 3.712 -3.491 -2.237 1.00 64.54 H new ATOM 0 HA ARG A 3 3.034 -6.138 -2.132 1.00 23.03 H new ATOM 0 HB2 ARG A 3 2.005 -4.705 -3.732 1.00 43.22 H new ATOM 0 HB3 ARG A 3 3.541 -4.235 -4.433 1.00 43.22 H new ATOM 0 HG2 ARG A 3 3.791 -6.715 -5.128 1.00 61.30 H new ATOM 0 HG3 ARG A 3 2.093 -6.879 -4.725 1.00 61.30 H new ATOM 0 HD2 ARG A 3 2.330 -4.516 -6.312 1.00 35.42 H new ATOM 0 HD3 ARG A 3 3.296 -5.747 -7.101 1.00 35.42 H new ATOM 0 HE ARG A 3 0.744 -6.852 -6.337 1.00 23.41 H new ATOM 0 HH11 ARG A 3 2.284 -4.670 -8.647 1.00 24.14 H new ATOM 0 HH12 ARG A 3 1.066 -4.948 -9.897 1.00 24.14 H new ATOM 0 HH21 ARG A 3 -0.816 -7.203 -7.947 1.00 72.30 H new ATOM 0 HH22 ARG A 3 -0.681 -6.375 -9.502 1.00 72.30 H new ATOM 51 N GLY A 4 6.100 -5.751 -3.120 1.00 14.30 N ATOM 52 CA GLY A 4 7.318 -6.464 -3.457 1.00 54.04 C ATOM 53 C GLY A 4 7.492 -7.731 -2.644 1.00 1.25 C ATOM 54 O GLY A 4 8.268 -8.612 -3.013 1.00 44.31 O ATOM 0 H GLY A 4 6.227 -4.760 -2.913 1.00 14.30 H new ATOM 0 HA2 GLY A 4 7.307 -6.715 -4.518 1.00 54.04 H new ATOM 0 HA3 GLY A 4 8.175 -5.811 -3.293 1.00 54.04 H new ATOM 58 N TRP A 5 6.770 -7.822 -1.533 1.00 22.14 N ATOM 59 CA TRP A 5 6.851 -8.990 -0.663 1.00 74.30 C ATOM 60 C TRP A 5 6.563 -10.269 -1.442 1.00 23.33 C ATOM 61 O TRP A 5 7.143 -11.320 -1.166 1.00 12.15 O ATOM 62 CB TRP A 5 5.866 -8.855 0.500 1.00 44.40 C ATOM 63 CG TRP A 5 4.431 -8.915 0.073 1.00 32.14 C ATOM 64 CD1 TRP A 5 3.575 -7.861 -0.077 1.00 25.10 C ATOM 65 CD2 TRP A 5 3.683 -10.091 -0.256 1.00 24.14 C ATOM 66 NE1 TRP A 5 2.341 -8.311 -0.480 1.00 22.24 N ATOM 67 CE2 TRP A 5 2.382 -9.675 -0.597 1.00 74.33 C ATOM 68 CE3 TRP A 5 3.988 -11.454 -0.297 1.00 35.42 C ATOM 69 CZ2 TRP A 5 1.388 -10.575 -0.973 1.00 72.12 C ATOM 70 CZ3 TRP A 5 3.000 -12.346 -0.670 1.00 30.13 C ATOM 71 CH2 TRP A 5 1.713 -11.904 -1.005 1.00 2.13 C ATOM 0 H TRP A 5 6.122 -7.102 -1.213 1.00 22.14 H new ATOM 0 HA TRP A 5 7.865 -9.047 -0.267 1.00 74.30 H new ATOM 0 HB2 TRP A 5 6.056 -9.649 1.222 1.00 44.40 H new ATOM 0 HB3 TRP A 5 6.046 -7.909 1.011 1.00 44.40 H new ATOM 0 HD1 TRP A 5 3.831 -6.826 0.096 1.00 25.10 H new ATOM 0 HE1 TRP A 5 1.527 -7.725 -0.662 1.00 22.24 H new ATOM 0 HE3 TRP A 5 4.977 -11.804 -0.042 1.00 35.42 H new ATOM 0 HZ2 TRP A 5 0.395 -10.236 -1.230 1.00 72.12 H new ATOM 0 HZ3 TRP A 5 3.224 -13.402 -0.704 1.00 30.13 H new ATOM 0 HH2 TRP A 5 0.963 -12.626 -1.294 1.00 2.13 H new ATOM 82 N LYS A 6 5.665 -10.174 -2.416 1.00 64.35 N ATOM 83 CA LYS A 6 5.302 -11.323 -3.237 1.00 72.41 C ATOM 84 C LYS A 6 6.358 -11.585 -4.306 1.00 1.21 C ATOM 85 O LYS A 6 6.374 -12.646 -4.930 1.00 53.21 O ATOM 86 CB LYS A 6 3.940 -11.095 -3.896 1.00 53.12 C ATOM 87 CG LYS A 6 3.620 -12.094 -4.994 1.00 60.33 C ATOM 88 CD LYS A 6 4.038 -11.575 -6.360 1.00 13.01 C ATOM 89 CE LYS A 6 2.841 -11.410 -7.284 1.00 34.15 C ATOM 90 NZ LYS A 6 2.445 -12.700 -7.915 1.00 1.43 N ATOM 0 H LYS A 6 5.175 -9.313 -2.656 1.00 64.35 H new ATOM 0 HA LYS A 6 5.244 -12.197 -2.588 1.00 72.41 H new ATOM 0 HB2 LYS A 6 3.164 -11.146 -3.133 1.00 53.12 H new ATOM 0 HB3 LYS A 6 3.912 -10.088 -4.313 1.00 53.12 H new ATOM 0 HG2 LYS A 6 4.130 -13.036 -4.790 1.00 60.33 H new ATOM 0 HG3 LYS A 6 2.550 -12.304 -4.995 1.00 60.33 H new ATOM 0 HD2 LYS A 6 4.546 -10.617 -6.247 1.00 13.01 H new ATOM 0 HD3 LYS A 6 4.753 -12.264 -6.809 1.00 13.01 H new ATOM 0 HE2 LYS A 6 1.999 -11.008 -6.720 1.00 34.15 H new ATOM 0 HE3 LYS A 6 3.079 -10.684 -8.061 1.00 34.15 H new ATOM 0 HZ1 LYS A 6 1.626 -12.545 -8.537 1.00 1.43 H new ATOM 0 HZ2 LYS A 6 3.239 -13.071 -8.474 1.00 1.43 H new ATOM 0 HZ3 LYS A 6 2.193 -13.386 -7.175 1.00 1.43 H new ATOM 104 N ARG A 7 7.240 -10.612 -4.511 1.00 12.45 N ATOM 105 CA ARG A 7 8.300 -10.737 -5.504 1.00 33.33 C ATOM 106 C ARG A 7 9.406 -11.662 -5.005 1.00 34.55 C ATOM 107 O ARG A 7 9.502 -12.816 -5.424 1.00 42.25 O ATOM 108 CB ARG A 7 8.882 -9.362 -5.836 1.00 72.23 C ATOM 109 CG ARG A 7 7.863 -8.393 -6.414 1.00 63.34 C ATOM 110 CD ARG A 7 8.496 -7.050 -6.743 1.00 63.32 C ATOM 111 NE ARG A 7 8.911 -6.968 -8.141 1.00 24.40 N ATOM 112 CZ ARG A 7 8.076 -6.716 -9.142 1.00 52.32 C ATOM 113 NH1 ARG A 7 6.787 -6.521 -8.901 1.00 53.11 N ATOM 114 NH2 ARG A 7 8.529 -6.657 -10.388 1.00 5.02 N ATOM 0 H ARG A 7 7.241 -9.728 -4.002 1.00 12.45 H new ATOM 0 HA ARG A 7 7.868 -11.169 -6.407 1.00 33.33 H new ATOM 0 HB2 ARG A 7 9.310 -8.930 -4.931 1.00 72.23 H new ATOM 0 HB3 ARG A 7 9.699 -9.485 -6.547 1.00 72.23 H new ATOM 0 HG2 ARG A 7 7.424 -8.820 -7.316 1.00 63.34 H new ATOM 0 HG3 ARG A 7 7.051 -8.249 -5.701 1.00 63.34 H new ATOM 0 HD2 ARG A 7 7.785 -6.252 -6.529 1.00 63.32 H new ATOM 0 HD3 ARG A 7 9.360 -6.889 -6.098 1.00 63.32 H new ATOM 0 HE ARG A 7 9.897 -7.112 -8.360 1.00 24.40 H new ATOM 0 HH11 ARG A 7 6.435 -6.564 -7.945 1.00 53.11 H new ATOM 0 HH12 ARG A 7 6.148 -6.328 -9.672 1.00 53.11 H new ATOM 0 HH21 ARG A 7 9.520 -6.805 -10.578 1.00 5.02 H new ATOM 0 HH22 ARG A 7 7.886 -6.463 -11.156 1.00 5.02 H new ATOM 128 N LYS A 8 10.239 -11.149 -4.106 1.00 12.10 N ATOM 129 CA LYS A 8 11.338 -11.928 -3.548 1.00 0.40 C ATOM 130 C LYS A 8 10.919 -12.606 -2.248 1.00 31.41 C ATOM 131 O LYS A 8 10.575 -13.789 -2.237 1.00 63.10 O ATOM 132 CB LYS A 8 12.552 -11.029 -3.298 1.00 75.14 C ATOM 133 CG LYS A 8 13.142 -10.438 -4.567 1.00 31.10 C ATOM 134 CD LYS A 8 14.204 -9.398 -4.255 1.00 44.44 C ATOM 135 CE LYS A 8 15.486 -10.043 -3.751 1.00 60.33 C ATOM 136 NZ LYS A 8 16.637 -9.100 -3.797 1.00 4.15 N ATOM 0 H LYS A 8 10.174 -10.196 -3.748 1.00 12.10 H new ATOM 0 HA LYS A 8 11.607 -12.699 -4.270 1.00 0.40 H new ATOM 0 HB2 LYS A 8 12.262 -10.218 -2.630 1.00 75.14 H new ATOM 0 HB3 LYS A 8 13.321 -11.606 -2.784 1.00 75.14 H new ATOM 0 HG2 LYS A 8 13.577 -11.233 -5.172 1.00 31.10 H new ATOM 0 HG3 LYS A 8 12.349 -9.983 -5.161 1.00 31.10 H new ATOM 0 HD2 LYS A 8 14.417 -8.814 -5.151 1.00 44.44 H new ATOM 0 HD3 LYS A 8 13.825 -8.704 -3.505 1.00 44.44 H new ATOM 0 HE2 LYS A 8 15.340 -10.389 -2.728 1.00 60.33 H new ATOM 0 HE3 LYS A 8 15.712 -10.922 -4.355 1.00 60.33 H new ATOM 0 HZ1 LYS A 8 17.491 -9.578 -3.445 1.00 4.15 H new ATOM 0 HZ2 LYS A 8 16.792 -8.790 -4.777 1.00 4.15 H new ATOM 0 HZ3 LYS A 8 16.432 -8.273 -3.200 1.00 4.15 H new ATOM 150 N CYS A 9 10.948 -11.851 -1.156 1.00 23.35 N ATOM 151 CA CYS A 9 10.571 -12.380 0.150 1.00 34.52 C ATOM 152 C CYS A 9 9.283 -11.732 0.648 1.00 71.02 C ATOM 153 O CYS A 9 9.129 -10.511 0.635 1.00 55.44 O ATOM 154 CB CYS A 9 11.695 -12.151 1.161 1.00 30.42 C ATOM 155 SG CYS A 9 13.329 -12.657 0.575 1.00 41.41 S ATOM 0 H CYS A 9 11.229 -10.870 -1.149 1.00 23.35 H new ATOM 0 HA CYS A 9 10.400 -13.451 0.044 1.00 34.52 H new ATOM 0 HB2 CYS A 9 11.726 -11.093 1.421 1.00 30.42 H new ATOM 0 HB3 CYS A 9 11.464 -12.697 2.075 1.00 30.42 H new ATOM 0 HG CYS A 9 14.213 -12.422 1.499 1.00 41.41 H new ATOM 161 N PRO A 10 8.334 -12.568 1.096 1.00 2.41 N ATOM 162 CA PRO A 10 7.042 -12.098 1.605 1.00 22.24 C ATOM 163 C PRO A 10 7.174 -11.374 2.941 1.00 30.41 C ATOM 164 O PRO A 10 6.226 -10.745 3.414 1.00 24.31 O ATOM 165 CB PRO A 10 6.237 -13.389 1.774 1.00 62.21 C ATOM 166 CG PRO A 10 7.263 -14.453 1.963 1.00 33.14 C ATOM 167 CD PRO A 10 8.450 -14.035 1.141 1.00 41.11 C ATOM 0 HA PRO A 10 6.578 -11.375 0.934 1.00 22.24 H new ATOM 0 HB2 PRO A 10 5.567 -13.328 2.632 1.00 62.21 H new ATOM 0 HB3 PRO A 10 5.618 -13.587 0.899 1.00 62.21 H new ATOM 0 HG2 PRO A 10 7.532 -14.553 3.014 1.00 33.14 H new ATOM 0 HG3 PRO A 10 6.885 -15.422 1.637 1.00 33.14 H new ATOM 0 HD2 PRO A 10 9.387 -14.350 1.599 1.00 41.11 H new ATOM 0 HD3 PRO A 10 8.421 -14.471 0.143 1.00 41.11 H new ATOM 175 N LEU A 11 8.354 -11.467 3.545 1.00 54.32 N ATOM 176 CA LEU A 11 8.610 -10.820 4.827 1.00 53.31 C ATOM 177 C LEU A 11 8.648 -9.303 4.673 1.00 3.42 C ATOM 178 O LEU A 11 8.682 -8.569 5.661 1.00 14.41 O ATOM 179 CB LEU A 11 9.930 -11.318 5.417 1.00 1.32 C ATOM 180 CG LEU A 11 11.180 -11.066 4.573 1.00 71.20 C ATOM 181 CD1 LEU A 11 11.884 -9.797 5.027 1.00 61.02 C ATOM 182 CD2 LEU A 11 12.123 -12.258 4.649 1.00 42.15 C ATOM 0 H LEU A 11 9.148 -11.984 3.168 1.00 54.32 H new ATOM 0 HA LEU A 11 7.796 -11.077 5.505 1.00 53.31 H new ATOM 0 HB2 LEU A 11 10.071 -10.846 6.389 1.00 1.32 H new ATOM 0 HB3 LEU A 11 9.845 -12.390 5.593 1.00 1.32 H new ATOM 0 HG LEU A 11 10.874 -10.935 3.535 1.00 71.20 H new ATOM 0 HD11 LEU A 11 12.771 -9.634 4.415 1.00 61.02 H new ATOM 0 HD12 LEU A 11 11.209 -8.948 4.920 1.00 61.02 H new ATOM 0 HD13 LEU A 11 12.178 -9.898 6.072 1.00 61.02 H new ATOM 0 HD21 LEU A 11 13.007 -12.062 4.043 1.00 42.15 H new ATOM 0 HD22 LEU A 11 12.422 -12.420 5.685 1.00 42.15 H new ATOM 0 HD23 LEU A 11 11.616 -13.147 4.274 1.00 42.15 H new ATOM 194 N PHE A 12 8.642 -8.839 3.428 1.00 53.02 N ATOM 195 CA PHE A 12 8.675 -7.409 3.144 1.00 13.13 C ATOM 196 C PHE A 12 7.292 -6.788 3.317 1.00 33.04 C ATOM 197 O PHE A 12 6.750 -6.184 2.392 1.00 30.34 O ATOM 198 CB PHE A 12 9.183 -7.161 1.723 1.00 42.14 C ATOM 199 CG PHE A 12 10.672 -7.305 1.585 1.00 50.31 C ATOM 200 CD1 PHE A 12 11.278 -8.543 1.727 1.00 12.40 C ATOM 201 CD2 PHE A 12 11.466 -6.202 1.314 1.00 54.32 C ATOM 202 CE1 PHE A 12 12.648 -8.678 1.600 1.00 34.55 C ATOM 203 CE2 PHE A 12 12.836 -6.332 1.186 1.00 54.52 C ATOM 204 CZ PHE A 12 13.427 -7.571 1.331 1.00 64.15 C ATOM 0 H PHE A 12 8.615 -9.433 2.599 1.00 53.02 H new ATOM 0 HA PHE A 12 9.357 -6.939 3.853 1.00 13.13 H new ATOM 0 HB2 PHE A 12 8.694 -7.859 1.044 1.00 42.14 H new ATOM 0 HB3 PHE A 12 8.893 -6.158 1.412 1.00 42.14 H new ATOM 0 HD1 PHE A 12 10.673 -9.412 1.939 1.00 12.40 H new ATOM 0 HD2 PHE A 12 11.009 -5.230 1.202 1.00 54.32 H new ATOM 0 HE1 PHE A 12 13.108 -9.649 1.711 1.00 34.55 H new ATOM 0 HE2 PHE A 12 13.444 -5.465 0.973 1.00 54.52 H new ATOM 0 HZ PHE A 12 14.498 -7.674 1.234 1.00 64.15 H new ATOM 214 N GLY A 13 6.725 -6.942 4.510 1.00 23.15 N ATOM 215 CA GLY A 13 5.410 -6.392 4.784 1.00 63.41 C ATOM 216 C GLY A 13 5.389 -4.878 4.716 1.00 63.32 C ATOM 217 O GLY A 13 4.337 -4.273 4.509 1.00 43.20 O ATOM 0 H GLY A 13 7.153 -7.438 5.292 1.00 23.15 H new ATOM 0 HA2 GLY A 13 4.695 -6.795 4.067 1.00 63.41 H new ATOM 0 HA3 GLY A 13 5.084 -6.713 5.774 1.00 63.41 H new ATOM 221 N LYS A 14 6.554 -4.263 4.892 1.00 70.54 N ATOM 222 CA LYS A 14 6.667 -2.810 4.850 1.00 74.43 C ATOM 223 C LYS A 14 7.621 -2.370 3.744 1.00 24.35 C ATOM 224 O LYS A 14 7.503 -1.268 3.211 1.00 71.21 O ATOM 225 CB LYS A 14 7.152 -2.277 6.200 1.00 54.35 C ATOM 226 CG LYS A 14 8.282 -3.091 6.805 1.00 42.43 C ATOM 227 CD LYS A 14 7.777 -4.025 7.891 1.00 21.21 C ATOM 228 CE LYS A 14 8.210 -3.559 9.273 1.00 73.12 C ATOM 229 NZ LYS A 14 9.586 -4.018 9.607 1.00 5.20 N ATOM 0 H LYS A 14 7.434 -4.749 5.065 1.00 70.54 H new ATOM 0 HA LYS A 14 5.680 -2.399 4.638 1.00 74.43 H new ATOM 0 HB2 LYS A 14 7.484 -1.246 6.076 1.00 54.35 H new ATOM 0 HB3 LYS A 14 6.314 -2.260 6.897 1.00 54.35 H new ATOM 0 HG2 LYS A 14 8.772 -3.672 6.024 1.00 42.43 H new ATOM 0 HG3 LYS A 14 9.033 -2.419 7.222 1.00 42.43 H new ATOM 0 HD2 LYS A 14 6.689 -4.080 7.849 1.00 21.21 H new ATOM 0 HD3 LYS A 14 8.154 -5.032 7.711 1.00 21.21 H new ATOM 0 HE2 LYS A 14 8.169 -2.471 9.319 1.00 73.12 H new ATOM 0 HE3 LYS A 14 7.510 -3.936 10.019 1.00 73.12 H new ATOM 0 HZ1 LYS A 14 9.844 -3.680 10.556 1.00 5.20 H new ATOM 0 HZ2 LYS A 14 9.619 -5.057 9.589 1.00 5.20 H new ATOM 0 HZ3 LYS A 14 10.258 -3.638 8.910 1.00 5.20 H new ATOM 243 N GLY A 15 8.568 -3.241 3.405 1.00 54.45 N ATOM 244 CA GLY A 15 9.528 -2.923 2.364 1.00 73.44 C ATOM 245 C GLY A 15 8.870 -2.705 1.015 1.00 2.55 C ATOM 246 O GLY A 15 8.334 -1.631 0.746 1.00 54.23 O ATOM 0 H GLY A 15 8.687 -4.160 3.832 1.00 54.45 H new ATOM 0 HA2 GLY A 15 10.080 -2.026 2.645 1.00 73.44 H new ATOM 0 HA3 GLY A 15 10.254 -3.732 2.284 1.00 73.44 H new ATOM 250 N GLY A 16 8.913 -3.726 0.165 1.00 40.42 N ATOM 251 CA GLY A 16 8.315 -3.619 -1.153 1.00 52.20 C ATOM 252 C GLY A 16 9.319 -3.846 -2.266 1.00 12.23 C ATOM 253 O GLY A 16 10.491 -3.492 -2.135 1.00 34.41 O ATOM 0 H GLY A 16 9.351 -4.625 0.365 1.00 40.42 H new ATOM 0 HA2 GLY A 16 7.508 -4.346 -1.242 1.00 52.20 H new ATOM 0 HA3 GLY A 16 7.868 -2.631 -1.267 1.00 52.20 H new TER 257 GLY A 16