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+ -163:sc= -0.144 (180deg=-0.741) 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 115:sc= -0.115 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.797 -0.769 1.490 1.00 1.41 N ATOM 2 CA VAL A 1 1.727 -0.721 0.368 1.00 54.42 C ATOM 3 C VAL A 1 1.352 0.389 -0.609 1.00 23.43 C ATOM 4 O VAL A 1 0.177 0.714 -0.774 1.00 30.41 O ATOM 5 CB VAL A 1 1.765 -2.063 -0.387 1.00 11.31 C ATOM 6 CG1 VAL A 1 2.861 -2.051 -1.442 1.00 32.34 C ATOM 7 CG2 VAL A 1 1.962 -3.215 0.586 1.00 20.32 C ATOM 0 H1 VAL A 1 1.219 -1.316 2.267 1.00 1.41 H new ATOM 0 H2 VAL A 1 0.596 0.198 1.816 1.00 1.41 H new ATOM 0 H3 VAL A 1 -0.088 -1.223 1.188 1.00 1.41 H new ATOM 0 HA VAL A 1 2.714 -0.518 0.783 1.00 54.42 H new ATOM 0 HB VAL A 1 0.810 -2.204 -0.892 1.00 11.31 H new ATOM 0 HG11 VAL A 1 2.873 -3.007 -1.965 1.00 32.34 H new ATOM 0 HG12 VAL A 1 2.670 -1.249 -2.155 1.00 32.34 H new ATOM 0 HG13 VAL A 1 3.826 -1.888 -0.962 1.00 32.34 H new ATOM 0 HG21 VAL A 1 1.986 -4.156 0.036 1.00 20.32 H new ATOM 0 HG22 VAL A 1 2.903 -3.083 1.121 1.00 20.32 H new ATOM 0 HG23 VAL A 1 1.138 -3.233 1.300 1.00 20.32 H new ATOM 17 N ALA A 2 2.360 0.966 -1.254 1.00 43.13 N ATOM 18 CA ALA A 2 2.137 2.038 -2.217 1.00 21.40 C ATOM 19 C ALA A 2 2.652 1.650 -3.599 1.00 70.10 C ATOM 20 O ALA A 2 3.505 2.332 -4.168 1.00 32.33 O ATOM 21 CB ALA A 2 2.805 3.320 -1.743 1.00 52.14 C ATOM 0 H ALA A 2 3.339 0.709 -1.127 1.00 43.13 H new ATOM 0 HA ALA A 2 1.063 2.208 -2.293 1.00 21.40 H new ATOM 0 HB1 ALA A 2 2.631 4.112 -2.471 1.00 52.14 H new ATOM 0 HB2 ALA A 2 2.387 3.614 -0.780 1.00 52.14 H new ATOM 0 HB3 ALA A 2 3.877 3.154 -1.637 1.00 52.14 H new ATOM 27 N ARG A 3 2.129 0.551 -4.133 1.00 41.24 N ATOM 28 CA ARG A 3 2.538 0.072 -5.448 1.00 51.23 C ATOM 29 C ARG A 3 1.362 0.084 -6.421 1.00 21.42 C ATOM 30 O ARG A 3 1.542 0.249 -7.627 1.00 21.15 O ATOM 31 CB ARG A 3 3.113 -1.341 -5.344 1.00 21.55 C ATOM 32 CG ARG A 3 4.546 -1.380 -4.837 1.00 73.02 C ATOM 33 CD ARG A 3 4.925 -2.768 -4.345 1.00 45.11 C ATOM 34 NE ARG A 3 5.519 -3.580 -5.403 1.00 65.33 N ATOM 35 CZ ARG A 3 6.762 -3.419 -5.844 1.00 50.54 C ATOM 36 NH1 ARG A 3 7.538 -2.479 -5.321 1.00 33.31 N ATOM 37 NH2 ARG A 3 7.231 -4.197 -6.811 1.00 30.52 N ATOM 0 H ARG A 3 1.422 -0.024 -3.676 1.00 41.24 H new ATOM 0 HA ARG A 3 3.309 0.743 -5.828 1.00 51.23 H new ATOM 0 HB2 ARG A 3 2.485 -1.932 -4.677 1.00 21.55 H new ATOM 0 HB3 ARG A 3 3.071 -1.814 -6.325 1.00 21.55 H new ATOM 0 HG2 ARG A 3 5.224 -1.078 -5.635 1.00 73.02 H new ATOM 0 HG3 ARG A 3 4.666 -0.660 -4.027 1.00 73.02 H new ATOM 0 HD2 ARG A 3 5.629 -2.680 -3.517 1.00 45.11 H new ATOM 0 HD3 ARG A 3 4.038 -3.270 -3.957 1.00 45.11 H new ATOM 0 HE ARG A 3 4.948 -4.311 -5.827 1.00 65.33 H new ATOM 0 HH11 ARG A 3 7.181 -1.878 -4.578 1.00 33.31 H new ATOM 0 HH12 ARG A 3 8.492 -2.357 -5.661 1.00 33.31 H new ATOM 0 HH21 ARG A 3 6.637 -4.920 -7.217 1.00 30.52 H new ATOM 0 HH22 ARG A 3 8.185 -4.072 -7.148 1.00 30.52 H new ATOM 51 N GLY A 4 0.157 -0.094 -5.887 1.00 62.10 N ATOM 52 CA GLY A 4 -1.030 -0.102 -6.721 1.00 50.45 C ATOM 53 C GLY A 4 -1.785 1.212 -6.668 1.00 21.25 C ATOM 54 O GLY A 4 -2.844 1.302 -6.046 1.00 24.52 O ATOM 0 H GLY A 4 -0.018 -0.233 -4.892 1.00 62.10 H new ATOM 0 HA2 GLY A 4 -0.745 -0.312 -7.752 1.00 50.45 H new ATOM 0 HA3 GLY A 4 -1.689 -0.909 -6.402 1.00 50.45 H new ATOM 58 N TRP A 5 -1.239 2.233 -7.318 1.00 74.34 N ATOM 59 CA TRP A 5 -1.868 3.549 -7.340 1.00 71.42 C ATOM 60 C TRP A 5 -2.400 3.875 -8.731 1.00 74.53 C ATOM 61 O TRP A 5 -2.807 5.005 -9.003 1.00 30.44 O ATOM 62 CB TRP A 5 -0.870 4.621 -6.898 1.00 75.53 C ATOM 63 CG TRP A 5 -0.906 4.894 -5.425 1.00 54.32 C ATOM 64 CD1 TRP A 5 -0.328 4.148 -4.439 1.00 21.14 C ATOM 65 CD2 TRP A 5 -1.557 5.990 -4.773 1.00 4.41 C ATOM 66 NE1 TRP A 5 -0.579 4.714 -3.212 1.00 54.11 N ATOM 67 CE2 TRP A 5 -1.330 5.846 -3.390 1.00 73.20 C ATOM 68 CE3 TRP A 5 -2.306 7.081 -5.222 1.00 41.02 C ATOM 69 CZ2 TRP A 5 -1.828 6.750 -2.456 1.00 52.40 C ATOM 70 CZ3 TRP A 5 -2.800 7.978 -4.294 1.00 24.31 C ATOM 71 CH2 TRP A 5 -2.559 7.809 -2.924 1.00 24.21 C ATOM 0 H TRP A 5 -0.363 2.175 -7.837 1.00 74.34 H new ATOM 0 HA TRP A 5 -2.707 3.535 -6.645 1.00 71.42 H new ATOM 0 HB2 TRP A 5 0.136 4.308 -7.178 1.00 75.53 H new ATOM 0 HB3 TRP A 5 -1.078 5.545 -7.437 1.00 75.53 H new ATOM 0 HD1 TRP A 5 0.243 3.245 -4.599 1.00 21.14 H new ATOM 0 HE1 TRP A 5 -0.258 4.350 -2.315 1.00 54.11 H new ATOM 0 HE3 TRP A 5 -2.496 7.221 -6.276 1.00 41.02 H new ATOM 0 HZ2 TRP A 5 -1.644 6.621 -1.400 1.00 52.40 H new ATOM 0 HZ3 TRP A 5 -3.382 8.824 -4.630 1.00 24.31 H new ATOM 0 HH2 TRP A 5 -2.958 8.528 -2.224 1.00 24.21 H new ATOM 82 N LYS A 6 -2.396 2.878 -9.610 1.00 44.23 N ATOM 83 CA LYS A 6 -2.880 3.058 -10.974 1.00 4.00 C ATOM 84 C LYS A 6 -4.115 2.201 -11.230 1.00 51.13 C ATOM 85 O LYS A 6 -4.457 1.916 -12.378 1.00 53.51 O ATOM 86 CB LYS A 6 -1.781 2.701 -11.978 1.00 51.21 C ATOM 87 CG LYS A 6 -1.364 1.242 -11.930 1.00 70.51 C ATOM 88 CD LYS A 6 -0.012 1.070 -11.259 1.00 23.21 C ATOM 89 CE LYS A 6 1.119 1.562 -12.149 1.00 50.21 C ATOM 90 NZ LYS A 6 2.450 1.386 -11.504 1.00 54.21 N ATOM 0 H LYS A 6 -2.063 1.937 -9.402 1.00 44.23 H new ATOM 0 HA LYS A 6 -3.154 4.105 -11.101 1.00 4.00 H new ATOM 0 HB2 LYS A 6 -2.128 2.938 -12.984 1.00 51.21 H new ATOM 0 HB3 LYS A 6 -0.909 3.326 -11.787 1.00 51.21 H new ATOM 0 HG2 LYS A 6 -2.115 0.666 -11.390 1.00 70.51 H new ATOM 0 HG3 LYS A 6 -1.322 0.841 -12.943 1.00 70.51 H new ATOM 0 HD2 LYS A 6 0.000 1.618 -10.317 1.00 23.21 H new ATOM 0 HD3 LYS A 6 0.144 0.019 -11.018 1.00 23.21 H new ATOM 0 HE2 LYS A 6 1.099 1.020 -13.094 1.00 50.21 H new ATOM 0 HE3 LYS A 6 0.965 2.616 -12.383 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 3.194 1.733 -12.143 1.00 54.21 H new ATOM 0 HZ2 LYS A 6 2.478 1.924 -10.614 1.00 54.21 H new ATOM 0 HZ3 LYS A 6 2.608 0.378 -11.304 1.00 54.21 H new ATOM 104 N ARG A 7 -4.781 1.794 -10.155 1.00 10.25 N ATOM 105 CA ARG A 7 -5.979 0.970 -10.264 1.00 3.23 C ATOM 106 C ARG A 7 -7.179 1.670 -9.634 1.00 34.14 C ATOM 107 O ARG A 7 -8.031 2.218 -10.334 1.00 60.42 O ATOM 108 CB ARG A 7 -5.754 -0.385 -9.591 1.00 71.31 C ATOM 109 CG ARG A 7 -4.686 -1.231 -10.266 1.00 12.40 C ATOM 110 CD ARG A 7 -5.000 -1.454 -11.737 1.00 31.40 C ATOM 111 NE ARG A 7 -4.066 -2.388 -12.360 1.00 31.40 N ATOM 112 CZ ARG A 7 -3.992 -2.589 -13.671 1.00 40.10 C ATOM 113 NH1 ARG A 7 -4.792 -1.924 -14.493 1.00 31.00 N ATOM 114 NH2 ARG A 7 -3.116 -3.456 -14.162 1.00 43.23 N ATOM 0 H ARG A 7 -4.511 2.021 -9.198 1.00 10.25 H new ATOM 0 HA ARG A 7 -6.187 0.812 -11.322 1.00 3.23 H new ATOM 0 HB2 ARG A 7 -5.473 -0.222 -8.551 1.00 71.31 H new ATOM 0 HB3 ARG A 7 -6.693 -0.938 -9.584 1.00 71.31 H new ATOM 0 HG2 ARG A 7 -3.717 -0.741 -10.170 1.00 12.40 H new ATOM 0 HG3 ARG A 7 -4.608 -2.193 -9.759 1.00 12.40 H new ATOM 0 HD2 ARG A 7 -6.016 -1.836 -11.837 1.00 31.40 H new ATOM 0 HD3 ARG A 7 -4.965 -0.500 -12.264 1.00 31.40 H new ATOM 0 HE ARG A 7 -3.436 -2.915 -11.755 1.00 31.40 H new ATOM 0 HH11 ARG A 7 -5.466 -1.256 -14.119 1.00 31.00 H new ATOM 0 HH12 ARG A 7 -4.733 -2.080 -15.499 1.00 31.00 H new ATOM 0 HH21 ARG A 7 -2.499 -3.969 -13.533 1.00 43.23 H new ATOM 0 HH22 ARG A 7 -3.060 -3.610 -15.169 1.00 43.23 H new ATOM 128 N LYS A 8 -7.241 1.647 -8.307 1.00 14.54 N ATOM 129 CA LYS A 8 -8.336 2.280 -7.580 1.00 74.34 C ATOM 130 C LYS A 8 -7.900 3.619 -6.996 1.00 2.13 C ATOM 131 O LYS A 8 -8.608 4.212 -6.181 1.00 20.44 O ATOM 132 CB LYS A 8 -8.832 1.360 -6.462 1.00 50.10 C ATOM 133 CG LYS A 8 -7.750 0.971 -5.470 1.00 2.53 C ATOM 134 CD LYS A 8 -7.964 1.639 -4.121 1.00 61.53 C ATOM 135 CE LYS A 8 -8.945 0.856 -3.262 1.00 25.33 C ATOM 136 NZ LYS A 8 -8.321 0.391 -1.992 1.00 23.11 N ATOM 0 H LYS A 8 -6.545 1.197 -7.712 1.00 14.54 H new ATOM 0 HA LYS A 8 -9.150 2.459 -8.283 1.00 74.34 H new ATOM 0 HB2 LYS A 8 -9.642 1.856 -5.927 1.00 50.10 H new ATOM 0 HB3 LYS A 8 -9.249 0.456 -6.905 1.00 50.10 H new ATOM 0 HG2 LYS A 8 -7.743 -0.112 -5.344 1.00 2.53 H new ATOM 0 HG3 LYS A 8 -6.774 1.252 -5.866 1.00 2.53 H new ATOM 0 HD2 LYS A 8 -7.010 1.724 -3.600 1.00 61.53 H new ATOM 0 HD3 LYS A 8 -8.337 2.652 -4.270 1.00 61.53 H new ATOM 0 HE2 LYS A 8 -9.808 1.481 -3.035 1.00 25.33 H new ATOM 0 HE3 LYS A 8 -9.313 -0.004 -3.822 1.00 25.33 H new ATOM 0 HZ1 LYS A 8 -9.021 -0.138 -1.435 1.00 23.11 H new ATOM 0 HZ2 LYS A 8 -7.512 -0.226 -2.208 1.00 23.11 H new ATOM 0 HZ3 LYS A 8 -7.993 1.213 -1.445 1.00 23.11 H new ATOM 150 N CYS A 9 -6.732 4.091 -7.418 1.00 20.04 N ATOM 151 CA CYS A 9 -6.202 5.362 -6.936 1.00 23.42 C ATOM 152 C CYS A 9 -5.983 6.333 -8.091 1.00 70.44 C ATOM 153 O CYS A 9 -4.871 6.500 -8.592 1.00 62.12 O ATOM 154 CB CYS A 9 -4.888 5.138 -6.186 1.00 44.00 C ATOM 155 SG CYS A 9 -4.940 3.779 -4.995 1.00 25.14 S ATOM 0 H CYS A 9 -6.134 3.613 -8.092 1.00 20.04 H new ATOM 0 HA CYS A 9 -6.932 5.797 -6.254 1.00 23.42 H new ATOM 0 HB2 CYS A 9 -4.098 4.942 -6.910 1.00 44.00 H new ATOM 0 HB3 CYS A 9 -4.620 6.056 -5.662 1.00 44.00 H new ATOM 0 HG CYS A 9 -4.130 2.837 -5.376 1.00 25.14 H new ATOM 161 N PRO A 10 -7.069 6.988 -8.527 1.00 71.15 N ATOM 162 CA PRO A 10 -7.022 7.953 -9.630 1.00 61.21 C ATOM 163 C PRO A 10 -6.282 9.231 -9.250 1.00 54.25 C ATOM 164 O PRO A 10 -6.030 10.089 -10.097 1.00 41.33 O ATOM 165 CB PRO A 10 -8.498 8.250 -9.905 1.00 11.45 C ATOM 166 CG PRO A 10 -9.188 7.967 -8.615 1.00 3.44 C ATOM 167 CD PRO A 10 -8.427 6.838 -7.977 1.00 63.23 C ATOM 0 HA PRO A 10 -6.485 7.560 -10.493 1.00 61.21 H new ATOM 0 HB2 PRO A 10 -8.643 9.286 -10.213 1.00 11.45 H new ATOM 0 HB3 PRO A 10 -8.885 7.622 -10.707 1.00 11.45 H new ATOM 0 HG2 PRO A 10 -9.191 8.848 -7.973 1.00 3.44 H new ATOM 0 HG3 PRO A 10 -10.229 7.691 -8.782 1.00 3.44 H new ATOM 0 HD2 PRO A 10 -8.431 6.915 -6.890 1.00 63.23 H new ATOM 0 HD3 PRO A 10 -8.858 5.869 -8.230 1.00 63.23 H new ATOM 175 N LEU A 11 -5.937 9.352 -7.973 1.00 52.35 N ATOM 176 CA LEU A 11 -5.225 10.527 -7.481 1.00 73.34 C ATOM 177 C LEU A 11 -3.856 10.650 -8.142 1.00 20.11 C ATOM 178 O LEU A 11 -3.470 11.726 -8.599 1.00 1.13 O ATOM 179 CB LEU A 11 -5.066 10.452 -5.962 1.00 34.42 C ATOM 180 CG LEU A 11 -6.210 11.043 -5.137 1.00 73.23 C ATOM 181 CD1 LEU A 11 -6.450 10.213 -3.886 1.00 14.14 C ATOM 182 CD2 LEU A 11 -5.912 12.489 -4.771 1.00 42.43 C ATOM 0 H LEU A 11 -6.138 8.651 -7.259 1.00 52.35 H new ATOM 0 HA LEU A 11 -5.811 11.410 -7.735 1.00 73.34 H new ATOM 0 HB2 LEU A 11 -4.945 9.406 -5.681 1.00 34.42 H new ATOM 0 HB3 LEU A 11 -4.144 10.965 -5.688 1.00 34.42 H new ATOM 0 HG LEU A 11 -7.117 11.022 -5.741 1.00 73.23 H new ATOM 0 HD11 LEU A 11 -7.267 10.649 -3.312 1.00 14.14 H new ATOM 0 HD12 LEU A 11 -6.709 9.193 -4.170 1.00 14.14 H new ATOM 0 HD13 LEU A 11 -5.545 10.201 -3.278 1.00 14.14 H new ATOM 0 HD21 LEU A 11 -6.737 12.893 -4.184 1.00 42.43 H new ATOM 0 HD22 LEU A 11 -4.994 12.534 -4.186 1.00 42.43 H new ATOM 0 HD23 LEU A 11 -5.792 13.077 -5.681 1.00 42.43 H new ATOM 194 N PHE A 12 -3.126 9.540 -8.191 1.00 15.22 N ATOM 195 CA PHE A 12 -1.800 9.523 -8.797 1.00 12.31 C ATOM 196 C PHE A 12 -1.747 8.540 -9.962 1.00 73.23 C ATOM 197 O PHE A 12 -0.711 7.933 -10.230 1.00 73.31 O ATOM 198 CB PHE A 12 -0.744 9.153 -7.754 1.00 32.54 C ATOM 199 CG PHE A 12 -0.456 10.255 -6.775 1.00 23.32 C ATOM 200 CD1 PHE A 12 -1.389 10.607 -5.814 1.00 11.54 C ATOM 201 CD2 PHE A 12 0.749 10.938 -6.816 1.00 51.24 C ATOM 202 CE1 PHE A 12 -1.127 11.621 -4.911 1.00 64.01 C ATOM 203 CE2 PHE A 12 1.017 11.952 -5.916 1.00 40.23 C ATOM 204 CZ PHE A 12 0.078 12.295 -4.963 1.00 73.13 C ATOM 0 H PHE A 12 -3.431 8.641 -7.818 1.00 15.22 H new ATOM 0 HA PHE A 12 -1.589 10.522 -9.178 1.00 12.31 H new ATOM 0 HB2 PHE A 12 -1.078 8.271 -7.208 1.00 32.54 H new ATOM 0 HB3 PHE A 12 0.180 8.881 -8.265 1.00 32.54 H new ATOM 0 HD1 PHE A 12 -2.332 10.083 -5.769 1.00 11.54 H new ATOM 0 HD2 PHE A 12 1.487 10.675 -7.559 1.00 51.24 H new ATOM 0 HE1 PHE A 12 -1.863 11.886 -4.166 1.00 64.01 H new ATOM 0 HE2 PHE A 12 1.960 12.476 -5.958 1.00 40.23 H new ATOM 0 HZ PHE A 12 0.285 13.088 -4.260 1.00 73.13 H new ATOM 214 N GLY A 13 -2.874 8.388 -10.652 1.00 63.43 N ATOM 215 CA GLY A 13 -2.935 7.477 -11.780 1.00 74.42 C ATOM 216 C GLY A 13 -2.364 8.083 -13.047 1.00 34.41 C ATOM 217 O GLY A 13 -1.209 7.838 -13.395 1.00 51.14 O ATOM 0 H GLY A 13 -3.745 8.879 -10.450 1.00 63.43 H new ATOM 0 HA2 GLY A 13 -2.387 6.566 -11.538 1.00 74.42 H new ATOM 0 HA3 GLY A 13 -3.972 7.188 -11.954 1.00 74.42 H new ATOM 221 N LYS A 14 -3.176 8.875 -13.740 1.00 25.33 N ATOM 222 CA LYS A 14 -2.746 9.518 -14.976 1.00 22.13 C ATOM 223 C LYS A 14 -1.671 10.565 -14.699 1.00 73.44 C ATOM 224 O LYS A 14 -1.953 11.626 -14.146 1.00 11.43 O ATOM 225 CB LYS A 14 -3.939 10.170 -15.677 1.00 75.12 C ATOM 226 CG LYS A 14 -4.290 9.526 -17.007 1.00 65.44 C ATOM 227 CD LYS A 14 -4.954 8.173 -16.814 1.00 62.30 C ATOM 228 CE LYS A 14 -5.939 7.871 -17.933 1.00 20.52 C ATOM 229 NZ LYS A 14 -7.254 7.413 -17.405 1.00 71.21 N ATOM 0 H LYS A 14 -4.136 9.087 -13.466 1.00 25.33 H new ATOM 0 HA LYS A 14 -2.324 8.752 -15.627 1.00 22.13 H new ATOM 0 HB2 LYS A 14 -4.807 10.122 -15.019 1.00 75.12 H new ATOM 0 HB3 LYS A 14 -3.721 11.225 -15.840 1.00 75.12 H new ATOM 0 HG2 LYS A 14 -4.957 10.183 -17.566 1.00 65.44 H new ATOM 0 HG3 LYS A 14 -3.386 9.407 -17.604 1.00 65.44 H new ATOM 0 HD2 LYS A 14 -4.192 7.394 -16.779 1.00 62.30 H new ATOM 0 HD3 LYS A 14 -5.473 8.155 -15.856 1.00 62.30 H new ATOM 0 HE2 LYS A 14 -6.083 8.764 -18.541 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -5.523 7.104 -18.586 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -7.898 7.217 -18.198 1.00 71.21 H new ATOM 0 HZ2 LYS A 14 -7.121 6.547 -16.846 1.00 71.21 H new ATOM 0 HZ3 LYS A 14 -7.663 8.155 -16.802 1.00 71.21 H new ATOM 243 N GLY A 15 -0.438 10.258 -15.090 1.00 61.23 N ATOM 244 CA GLY A 15 0.660 11.183 -14.877 1.00 54.02 C ATOM 245 C GLY A 15 0.608 12.370 -15.819 1.00 24.04 C ATOM 246 O GLY A 15 0.705 13.518 -15.387 1.00 53.02 O ATOM 0 H GLY A 15 -0.180 9.385 -15.550 1.00 61.23 H new ATOM 0 HA2 GLY A 15 0.637 11.539 -13.847 1.00 54.02 H new ATOM 0 HA3 GLY A 15 1.605 10.657 -15.011 1.00 54.02 H new ATOM 250 N GLY A 16 0.458 12.093 -17.110 1.00 71.14 N ATOM 251 CA GLY A 16 0.399 13.157 -18.095 1.00 52.13 C ATOM 252 C GLY A 16 0.962 12.736 -19.438 1.00 53.22 C ATOM 253 O GLY A 16 1.530 11.652 -19.568 1.00 72.12 O ATOM 0 H GLY A 16 0.376 11.151 -17.492 1.00 71.14 H new ATOM 0 HA2 GLY A 16 -0.636 13.474 -18.222 1.00 52.13 H new ATOM 0 HA3 GLY A 16 0.953 14.020 -17.727 1.00 52.13 H new TER 257 GLY A 16