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+ -149:sc= -0.162 (180deg=-0.763) 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 35:sc= 1.1 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.172 1.094 0.089 1.00 24.41 N ATOM 2 CA VAL A 1 1.970 0.476 -0.964 1.00 2.24 C ATOM 3 C VAL A 1 3.096 1.400 -1.413 1.00 42.33 C ATOM 4 O VAL A 1 2.956 2.623 -1.392 1.00 32.41 O ATOM 5 CB VAL A 1 1.103 0.110 -2.183 1.00 25.10 C ATOM 6 CG1 VAL A 1 1.910 -0.699 -3.188 1.00 13.41 C ATOM 7 CG2 VAL A 1 -0.137 -0.654 -1.744 1.00 41.34 C ATOM 0 H1 VAL A 1 0.799 0.356 0.720 1.00 24.41 H new ATOM 0 H2 VAL A 1 1.766 1.749 0.636 1.00 24.41 H new ATOM 0 H3 VAL A 1 0.381 1.618 -0.337 1.00 24.41 H new ATOM 0 HA VAL A 1 2.397 -0.435 -0.545 1.00 2.24 H new ATOM 0 HB VAL A 1 0.781 1.031 -2.669 1.00 25.10 H new ATOM 0 HG11 VAL A 1 1.281 -0.949 -4.043 1.00 13.41 H new ATOM 0 HG12 VAL A 1 2.764 -0.112 -3.525 1.00 13.41 H new ATOM 0 HG13 VAL A 1 2.263 -1.616 -2.717 1.00 13.41 H new ATOM 0 HG21 VAL A 1 -0.738 -0.905 -2.618 1.00 41.34 H new ATOM 0 HG22 VAL A 1 0.162 -1.570 -1.234 1.00 41.34 H new ATOM 0 HG23 VAL A 1 -0.724 -0.036 -1.065 1.00 41.34 H new ATOM 17 N ALA A 2 4.214 0.807 -1.821 1.00 54.41 N ATOM 18 CA ALA A 2 5.364 1.577 -2.279 1.00 14.22 C ATOM 19 C ALA A 2 5.396 1.664 -3.801 1.00 33.41 C ATOM 20 O ALA A 2 6.438 1.454 -4.422 1.00 73.51 O ATOM 21 CB ALA A 2 6.653 0.961 -1.756 1.00 11.31 C ATOM 0 H ALA A 2 4.347 -0.204 -1.844 1.00 54.41 H new ATOM 0 HA ALA A 2 5.272 2.589 -1.886 1.00 14.22 H new ATOM 0 HB1 ALA A 2 7.504 1.546 -2.106 1.00 11.31 H new ATOM 0 HB2 ALA A 2 6.638 0.957 -0.666 1.00 11.31 H new ATOM 0 HB3 ALA A 2 6.742 -0.062 -2.121 1.00 11.31 H new ATOM 27 N ARG A 3 4.248 1.973 -4.396 1.00 3.33 N ATOM 28 CA ARG A 3 4.145 2.085 -5.846 1.00 3.43 C ATOM 29 C ARG A 3 5.118 3.132 -6.381 1.00 3.04 C ATOM 30 O ARG A 3 5.625 3.011 -7.495 1.00 50.31 O ATOM 31 CB ARG A 3 2.715 2.449 -6.250 1.00 64.01 C ATOM 32 CG ARG A 3 2.134 3.607 -5.456 1.00 34.12 C ATOM 33 CD ARG A 3 0.859 4.135 -6.094 1.00 54.42 C ATOM 34 NE ARG A 3 0.237 5.183 -5.289 1.00 41.40 N ATOM 35 CZ ARG A 3 -0.688 6.016 -5.754 1.00 3.22 C ATOM 36 NH1 ARG A 3 -1.096 5.923 -7.012 1.00 11.43 N ATOM 37 NH2 ARG A 3 -1.206 6.944 -4.959 1.00 72.14 N ATOM 0 H ARG A 3 3.377 2.150 -3.896 1.00 3.33 H new ATOM 0 HA ARG A 3 4.403 1.119 -6.279 1.00 3.43 H new ATOM 0 HB2 ARG A 3 2.699 2.702 -7.310 1.00 64.01 H new ATOM 0 HB3 ARG A 3 2.077 1.575 -6.122 1.00 64.01 H new ATOM 0 HG2 ARG A 3 1.925 3.282 -4.437 1.00 34.12 H new ATOM 0 HG3 ARG A 3 2.869 4.410 -5.390 1.00 34.12 H new ATOM 0 HD2 ARG A 3 1.085 4.526 -7.086 1.00 54.42 H new ATOM 0 HD3 ARG A 3 0.154 3.314 -6.228 1.00 54.42 H new ATOM 0 HE ARG A 3 0.529 5.281 -4.316 1.00 41.40 H new ATOM 0 HH11 ARG A 3 -0.700 5.211 -7.625 1.00 11.43 H new ATOM 0 HH12 ARG A 3 -1.806 6.564 -7.366 1.00 11.43 H new ATOM 0 HH21 ARG A 3 -0.894 7.018 -3.991 1.00 72.14 H new ATOM 0 HH22 ARG A 3 -1.916 7.583 -5.316 1.00 72.14 H new ATOM 51 N GLY A 4 5.374 4.160 -5.577 1.00 43.22 N ATOM 52 CA GLY A 4 6.285 5.213 -5.987 1.00 52.23 C ATOM 53 C GLY A 4 7.567 5.219 -5.178 1.00 55.10 C ATOM 54 O GLY A 4 7.973 6.256 -4.654 1.00 51.44 O ATOM 0 H GLY A 4 4.967 4.282 -4.650 1.00 43.22 H new ATOM 0 HA2 GLY A 4 6.526 5.090 -7.043 1.00 52.23 H new ATOM 0 HA3 GLY A 4 5.789 6.178 -5.884 1.00 52.23 H new ATOM 58 N TRP A 5 8.204 4.059 -5.074 1.00 35.51 N ATOM 59 CA TRP A 5 9.446 3.934 -4.321 1.00 22.24 C ATOM 60 C TRP A 5 10.602 4.595 -5.063 1.00 52.15 C ATOM 61 O TRP A 5 11.541 5.101 -4.448 1.00 55.11 O ATOM 62 CB TRP A 5 9.765 2.460 -4.064 1.00 4.11 C ATOM 63 CG TRP A 5 10.314 2.201 -2.693 1.00 51.23 C ATOM 64 CD1 TRP A 5 11.016 3.075 -1.913 1.00 30.20 C ATOM 65 CD2 TRP A 5 10.207 0.987 -1.943 1.00 30.51 C ATOM 66 NE1 TRP A 5 11.352 2.476 -0.723 1.00 0.34 N ATOM 67 CE2 TRP A 5 10.867 1.195 -0.716 1.00 14.41 C ATOM 68 CE3 TRP A 5 9.617 -0.256 -2.187 1.00 74.30 C ATOM 69 CZ2 TRP A 5 10.952 0.207 0.261 1.00 71.12 C ATOM 70 CZ3 TRP A 5 9.702 -1.237 -1.217 1.00 4.52 C ATOM 71 CH2 TRP A 5 10.365 -1.000 -0.005 1.00 20.51 C ATOM 0 H TRP A 5 7.881 3.191 -5.502 1.00 35.51 H new ATOM 0 HA TRP A 5 9.315 4.442 -3.366 1.00 22.24 H new ATOM 0 HB2 TRP A 5 8.859 1.870 -4.202 1.00 4.11 H new ATOM 0 HB3 TRP A 5 10.485 2.117 -4.807 1.00 4.11 H new ATOM 0 HD1 TRP A 5 11.270 4.087 -2.191 1.00 30.20 H new ATOM 0 HE1 TRP A 5 11.878 2.914 0.033 1.00 0.34 H new ATOM 0 HE3 TRP A 5 9.103 -0.447 -3.118 1.00 74.30 H new ATOM 0 HZ2 TRP A 5 11.463 0.387 1.195 1.00 71.12 H new ATOM 0 HZ3 TRP A 5 9.250 -2.202 -1.396 1.00 4.52 H new ATOM 0 HH2 TRP A 5 10.414 -1.786 0.734 1.00 20.51 H new ATOM 82 N LYS A 6 10.528 4.588 -6.390 1.00 50.11 N ATOM 83 CA LYS A 6 11.567 5.189 -7.218 1.00 22.31 C ATOM 84 C LYS A 6 11.013 6.361 -8.022 1.00 30.52 C ATOM 85 O LYS A 6 11.766 7.211 -8.497 1.00 30.12 O ATOM 86 CB LYS A 6 12.162 4.143 -8.164 1.00 51.22 C ATOM 87 CG LYS A 6 11.162 3.588 -9.163 1.00 53.45 C ATOM 88 CD LYS A 6 10.903 2.109 -8.931 1.00 11.32 C ATOM 89 CE LYS A 6 10.166 1.481 -10.104 1.00 12.14 C ATOM 90 NZ LYS A 6 9.130 0.511 -9.652 1.00 51.14 N ATOM 0 H LYS A 6 9.759 4.172 -6.915 1.00 50.11 H new ATOM 0 HA LYS A 6 12.351 5.562 -6.559 1.00 22.31 H new ATOM 0 HB2 LYS A 6 12.996 4.589 -8.707 1.00 51.22 H new ATOM 0 HB3 LYS A 6 12.568 3.321 -7.574 1.00 51.22 H new ATOM 0 HG2 LYS A 6 10.225 4.139 -9.085 1.00 53.45 H new ATOM 0 HG3 LYS A 6 11.537 3.738 -10.176 1.00 53.45 H new ATOM 0 HD2 LYS A 6 11.850 1.593 -8.777 1.00 11.32 H new ATOM 0 HD3 LYS A 6 10.317 1.980 -8.021 1.00 11.32 H new ATOM 0 HE2 LYS A 6 9.696 2.264 -10.699 1.00 12.14 H new ATOM 0 HE3 LYS A 6 10.880 0.974 -10.752 1.00 12.14 H new ATOM 0 HZ1 LYS A 6 8.650 0.105 -10.480 1.00 51.14 H new ATOM 0 HZ2 LYS A 6 9.582 -0.250 -9.106 1.00 51.14 H new ATOM 0 HZ3 LYS A 6 8.434 1.000 -9.054 1.00 51.14 H new ATOM 104 N ARG A 7 9.693 6.400 -8.169 1.00 73.50 N ATOM 105 CA ARG A 7 9.038 7.468 -8.915 1.00 64.51 C ATOM 106 C ARG A 7 9.490 8.836 -8.415 1.00 4.34 C ATOM 107 O ARG A 7 9.547 9.801 -9.177 1.00 54.14 O ATOM 108 CB ARG A 7 7.518 7.345 -8.795 1.00 2.20 C ATOM 109 CG ARG A 7 6.794 7.412 -10.130 1.00 4.11 C ATOM 110 CD ARG A 7 7.145 6.225 -11.014 1.00 11.34 C ATOM 111 NE ARG A 7 7.495 6.638 -12.370 1.00 61.52 N ATOM 112 CZ ARG A 7 6.615 7.113 -13.244 1.00 51.01 C ATOM 113 NH1 ARG A 7 5.339 7.236 -12.905 1.00 1.01 N ATOM 114 NH2 ARG A 7 7.011 7.467 -14.460 1.00 55.21 N ATOM 0 H ARG A 7 9.056 5.704 -7.781 1.00 73.50 H new ATOM 0 HA ARG A 7 9.321 7.372 -9.963 1.00 64.51 H new ATOM 0 HB2 ARG A 7 7.276 6.401 -8.307 1.00 2.20 H new ATOM 0 HB3 ARG A 7 7.147 8.142 -8.150 1.00 2.20 H new ATOM 0 HG2 ARG A 7 5.717 7.435 -9.961 1.00 4.11 H new ATOM 0 HG3 ARG A 7 7.056 8.338 -10.641 1.00 4.11 H new ATOM 0 HD2 ARG A 7 7.980 5.680 -10.574 1.00 11.34 H new ATOM 0 HD3 ARG A 7 6.300 5.538 -11.051 1.00 11.34 H new ATOM 0 HE ARG A 7 8.469 6.557 -12.662 1.00 61.52 H new ATOM 0 HH11 ARG A 7 5.031 6.966 -11.971 1.00 1.01 H new ATOM 0 HH12 ARG A 7 4.665 7.601 -13.578 1.00 1.01 H new ATOM 0 HH21 ARG A 7 7.992 7.374 -14.724 1.00 55.21 H new ATOM 0 HH22 ARG A 7 6.335 7.832 -15.131 1.00 55.21 H new ATOM 128 N LYS A 8 9.811 8.913 -7.128 1.00 4.44 N ATOM 129 CA LYS A 8 10.259 10.163 -6.524 1.00 23.32 C ATOM 130 C LYS A 8 11.683 10.031 -5.993 1.00 21.42 C ATOM 131 O LYS A 8 12.522 10.904 -6.216 1.00 3.22 O ATOM 132 CB LYS A 8 9.317 10.572 -5.390 1.00 34.33 C ATOM 133 CG LYS A 8 7.856 10.627 -5.803 1.00 20.21 C ATOM 134 CD LYS A 8 7.032 9.576 -5.079 1.00 33.24 C ATOM 135 CE LYS A 8 6.237 10.183 -3.933 1.00 13.12 C ATOM 136 NZ LYS A 8 7.082 10.404 -2.727 1.00 21.20 N ATOM 0 H LYS A 8 9.769 8.124 -6.483 1.00 4.44 H new ATOM 0 HA LYS A 8 10.247 10.934 -7.294 1.00 23.32 H new ATOM 0 HB2 LYS A 8 9.427 9.867 -4.566 1.00 34.33 H new ATOM 0 HB3 LYS A 8 9.617 11.550 -5.015 1.00 34.33 H new ATOM 0 HG2 LYS A 8 7.454 11.617 -5.589 1.00 20.21 H new ATOM 0 HG3 LYS A 8 7.775 10.476 -6.879 1.00 20.21 H new ATOM 0 HD2 LYS A 8 6.351 9.098 -5.783 1.00 33.24 H new ATOM 0 HD3 LYS A 8 7.691 8.797 -4.694 1.00 33.24 H new ATOM 0 HE2 LYS A 8 5.806 11.132 -4.253 1.00 13.12 H new ATOM 0 HE3 LYS A 8 5.406 9.525 -3.679 1.00 13.12 H new ATOM 0 HZ1 LYS A 8 6.503 10.819 -1.969 1.00 21.20 H new ATOM 0 HZ2 LYS A 8 7.474 9.495 -2.406 1.00 21.20 H new ATOM 0 HZ3 LYS A 8 7.860 11.052 -2.962 1.00 21.20 H new ATOM 150 N CYS A 9 11.949 8.934 -5.292 1.00 13.23 N ATOM 151 CA CYS A 9 13.272 8.688 -4.730 1.00 30.24 C ATOM 152 C CYS A 9 13.865 7.395 -5.281 1.00 51.31 C ATOM 153 O CYS A 9 13.939 6.375 -4.596 1.00 12.23 O ATOM 154 CB CYS A 9 13.196 8.618 -3.204 1.00 32.13 C ATOM 155 SG CYS A 9 11.881 7.546 -2.579 1.00 15.24 S ATOM 0 H CYS A 9 11.266 8.201 -5.099 1.00 13.23 H new ATOM 0 HA CYS A 9 13.921 9.516 -5.017 1.00 30.24 H new ATOM 0 HB2 CYS A 9 14.152 8.264 -2.819 1.00 32.13 H new ATOM 0 HB3 CYS A 9 13.047 9.624 -2.812 1.00 32.13 H new ATOM 0 HG CYS A 9 11.742 6.523 -3.369 1.00 15.24 H new ATOM 161 N PRO A 10 14.297 7.436 -6.550 1.00 55.44 N ATOM 162 CA PRO A 10 14.889 6.277 -7.223 1.00 24.42 C ATOM 163 C PRO A 10 16.263 5.922 -6.664 1.00 2.20 C ATOM 164 O PRO A 10 16.750 4.805 -6.846 1.00 54.30 O ATOM 165 CB PRO A 10 15.006 6.732 -8.679 1.00 40.45 C ATOM 166 CG PRO A 10 15.082 8.218 -8.606 1.00 54.45 C ATOM 167 CD PRO A 10 14.239 8.618 -7.427 1.00 5.53 C ATOM 0 HA PRO A 10 14.287 5.378 -7.091 1.00 24.42 H new ATOM 0 HB2 PRO A 10 15.893 6.313 -9.155 1.00 40.45 H new ATOM 0 HB3 PRO A 10 14.146 6.408 -9.265 1.00 40.45 H new ATOM 0 HG2 PRO A 10 16.112 8.550 -8.480 1.00 54.45 H new ATOM 0 HG3 PRO A 10 14.710 8.673 -9.524 1.00 54.45 H new ATOM 0 HD2 PRO A 10 14.635 9.505 -6.933 1.00 5.53 H new ATOM 0 HD3 PRO A 10 13.216 8.848 -7.724 1.00 5.53 H new ATOM 175 N LEU A 11 16.884 6.879 -5.983 1.00 23.31 N ATOM 176 CA LEU A 11 18.203 6.667 -5.396 1.00 42.23 C ATOM 177 C LEU A 11 18.202 5.449 -4.478 1.00 13.40 C ATOM 178 O LEU A 11 19.223 4.781 -4.314 1.00 53.01 O ATOM 179 CB LEU A 11 18.641 7.908 -4.616 1.00 51.01 C ATOM 180 CG LEU A 11 19.906 7.758 -3.771 1.00 22.53 C ATOM 181 CD1 LEU A 11 21.133 7.641 -4.662 1.00 11.01 C ATOM 182 CD2 LEU A 11 20.050 8.931 -2.813 1.00 22.04 C ATOM 0 H LEU A 11 16.496 7.809 -5.824 1.00 23.31 H new ATOM 0 HA LEU A 11 18.909 6.487 -6.206 1.00 42.23 H new ATOM 0 HB2 LEU A 11 18.796 8.722 -5.324 1.00 51.01 H new ATOM 0 HB3 LEU A 11 17.824 8.208 -3.960 1.00 51.01 H new ATOM 0 HG LEU A 11 19.821 6.844 -3.184 1.00 22.53 H new ATOM 0 HD11 LEU A 11 22.024 7.535 -4.043 1.00 11.01 H new ATOM 0 HD12 LEU A 11 21.033 6.767 -5.306 1.00 11.01 H new ATOM 0 HD13 LEU A 11 21.223 8.537 -5.277 1.00 11.01 H new ATOM 0 HD21 LEU A 11 20.956 8.807 -2.220 1.00 22.04 H new ATOM 0 HD22 LEU A 11 20.112 9.859 -3.381 1.00 22.04 H new ATOM 0 HD23 LEU A 11 19.185 8.968 -2.151 1.00 22.04 H new ATOM 194 N PHE A 12 17.048 5.165 -3.882 1.00 42.15 N ATOM 195 CA PHE A 12 16.913 4.027 -2.981 1.00 61.44 C ATOM 196 C PHE A 12 16.227 2.857 -3.682 1.00 4.12 C ATOM 197 O PHE A 12 16.494 1.695 -3.378 1.00 74.01 O ATOM 198 CB PHE A 12 16.119 4.426 -1.736 1.00 3.21 C ATOM 199 CG PHE A 12 16.175 3.405 -0.636 1.00 61.42 C ATOM 200 CD1 PHE A 12 17.383 2.846 -0.252 1.00 64.13 C ATOM 201 CD2 PHE A 12 15.019 3.003 0.013 1.00 30.32 C ATOM 202 CE1 PHE A 12 17.438 1.906 0.760 1.00 63.24 C ATOM 203 CE2 PHE A 12 15.068 2.064 1.026 1.00 72.51 C ATOM 204 CZ PHE A 12 16.279 1.513 1.399 1.00 53.52 C ATOM 0 H PHE A 12 16.193 5.708 -4.007 1.00 42.15 H new ATOM 0 HA PHE A 12 17.913 3.713 -2.681 1.00 61.44 H new ATOM 0 HB2 PHE A 12 16.501 5.375 -1.360 1.00 3.21 H new ATOM 0 HB3 PHE A 12 15.078 4.590 -2.016 1.00 3.21 H new ATOM 0 HD1 PHE A 12 18.293 3.148 -0.749 1.00 64.13 H new ATOM 0 HD2 PHE A 12 14.069 3.428 -0.276 1.00 30.32 H new ATOM 0 HE1 PHE A 12 18.387 1.479 1.051 1.00 63.24 H new ATOM 0 HE2 PHE A 12 14.160 1.761 1.526 1.00 72.51 H new ATOM 0 HZ PHE A 12 16.319 0.777 2.188 1.00 53.52 H new ATOM 214 N GLY A 13 15.342 3.174 -4.621 1.00 52.44 N ATOM 215 CA GLY A 13 14.631 2.140 -5.350 1.00 54.41 C ATOM 216 C GLY A 13 15.553 1.295 -6.206 1.00 2.13 C ATOM 217 O GLY A 13 15.213 0.172 -6.577 1.00 34.31 O ATOM 0 H GLY A 13 15.104 4.129 -4.890 1.00 52.44 H new ATOM 0 HA2 GLY A 13 14.106 1.497 -4.643 1.00 54.41 H new ATOM 0 HA3 GLY A 13 13.874 2.602 -5.984 1.00 54.41 H new ATOM 221 N LYS A 14 16.725 1.836 -6.522 1.00 21.24 N ATOM 222 CA LYS A 14 17.701 1.125 -7.339 1.00 73.14 C ATOM 223 C LYS A 14 17.982 -0.262 -6.769 1.00 53.41 C ATOM 224 O LYS A 14 18.294 -1.195 -7.507 1.00 31.32 O ATOM 225 CB LYS A 14 19.002 1.925 -7.428 1.00 62.00 C ATOM 226 CG LYS A 14 19.622 2.229 -6.075 1.00 45.13 C ATOM 227 CD LYS A 14 20.800 1.314 -5.783 1.00 74.31 C ATOM 228 CE LYS A 14 21.875 2.028 -4.979 1.00 31.12 C ATOM 229 NZ LYS A 14 22.652 1.083 -4.130 1.00 64.12 N ATOM 0 H LYS A 14 17.022 2.765 -6.224 1.00 21.24 H new ATOM 0 HA LYS A 14 17.284 1.009 -8.339 1.00 73.14 H new ATOM 0 HB2 LYS A 14 19.720 1.369 -8.031 1.00 62.00 H new ATOM 0 HB3 LYS A 14 18.807 2.863 -7.948 1.00 62.00 H new ATOM 0 HG2 LYS A 14 19.952 3.268 -6.050 1.00 45.13 H new ATOM 0 HG3 LYS A 14 18.869 2.115 -5.295 1.00 45.13 H new ATOM 0 HD2 LYS A 14 20.454 0.439 -5.233 1.00 74.31 H new ATOM 0 HD3 LYS A 14 21.224 0.955 -6.721 1.00 74.31 H new ATOM 0 HE2 LYS A 14 22.552 2.547 -5.658 1.00 31.12 H new ATOM 0 HE3 LYS A 14 21.413 2.787 -4.348 1.00 31.12 H new ATOM 0 HZ1 LYS A 14 23.375 1.608 -3.598 1.00 64.12 H new ATOM 0 HZ2 LYS A 14 22.010 0.606 -3.465 1.00 64.12 H new ATOM 0 HZ3 LYS A 14 23.114 0.374 -4.734 1.00 64.12 H new ATOM 243 N GLY A 15 17.867 -0.389 -5.450 1.00 41.35 N ATOM 244 CA GLY A 15 18.111 -1.665 -4.804 1.00 70.13 C ATOM 245 C GLY A 15 16.973 -2.645 -5.009 1.00 62.54 C ATOM 246 O GLY A 15 17.196 -3.849 -5.133 1.00 21.04 O ATOM 0 H GLY A 15 17.609 0.369 -4.818 1.00 41.35 H new ATOM 0 HA2 GLY A 15 19.033 -2.096 -5.195 1.00 70.13 H new ATOM 0 HA3 GLY A 15 18.261 -1.505 -3.736 1.00 70.13 H new ATOM 250 N GLY A 16 15.748 -2.129 -5.044 1.00 62.45 N ATOM 251 CA GLY A 16 14.589 -2.982 -5.234 1.00 63.02 C ATOM 252 C GLY A 16 14.288 -3.234 -6.698 1.00 64.13 C ATOM 253 O GLY A 16 15.010 -3.972 -7.369 1.00 44.41 O ATOM 0 H GLY A 16 15.538 -1.136 -4.944 1.00 62.45 H new ATOM 0 HA2 GLY A 16 14.757 -3.935 -4.732 1.00 63.02 H new ATOM 0 HA3 GLY A 16 13.721 -2.521 -4.762 1.00 63.02 H new TER 257 GLY A 16