USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=3 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= -0.312 (180deg=-0.472) 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+ 166:sc= -0.0415 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.445 -0.453 0.073 1.00 53.40 N ATOM 2 CA VAL A 1 6.857 -0.726 -1.298 1.00 45.34 C ATOM 3 C VAL A 1 7.983 0.207 -1.730 1.00 3.44 C ATOM 4 O VAL A 1 8.124 1.311 -1.204 1.00 2.12 O ATOM 5 CB VAL A 1 5.679 -0.578 -2.279 1.00 41.02 C ATOM 6 CG1 VAL A 1 4.670 -1.698 -2.075 1.00 4.02 C ATOM 7 CG2 VAL A 1 5.018 0.782 -2.116 1.00 40.41 C ATOM 0 H1 VAL A 1 5.411 -0.536 0.148 1.00 53.40 H new ATOM 0 H2 VAL A 1 6.895 -1.138 0.714 1.00 53.40 H new ATOM 0 H3 VAL A 1 6.735 0.510 0.337 1.00 53.40 H new ATOM 0 HA VAL A 1 7.213 -1.756 -1.322 1.00 45.34 H new ATOM 0 HB VAL A 1 6.065 -0.650 -3.296 1.00 41.02 H new ATOM 0 HG11 VAL A 1 3.845 -1.577 -2.777 1.00 4.02 H new ATOM 0 HG12 VAL A 1 5.154 -2.659 -2.247 1.00 4.02 H new ATOM 0 HG13 VAL A 1 4.287 -1.661 -1.055 1.00 4.02 H new ATOM 0 HG21 VAL A 1 4.188 0.869 -2.817 1.00 40.41 H new ATOM 0 HG22 VAL A 1 4.645 0.886 -1.097 1.00 40.41 H new ATOM 0 HG23 VAL A 1 5.747 1.567 -2.317 1.00 40.41 H new ATOM 17 N ALA A 2 8.783 -0.244 -2.691 1.00 12.53 N ATOM 18 CA ALA A 2 9.895 0.552 -3.195 1.00 23.01 C ATOM 19 C ALA A 2 9.640 1.007 -4.628 1.00 32.02 C ATOM 20 O ALA A 2 10.564 1.089 -5.437 1.00 51.20 O ATOM 21 CB ALA A 2 11.191 -0.242 -3.114 1.00 51.42 C ATOM 0 H ALA A 2 8.681 -1.156 -3.136 1.00 12.53 H new ATOM 0 HA ALA A 2 9.986 1.441 -2.571 1.00 23.01 H new ATOM 0 HB1 ALA A 2 12.013 0.364 -3.494 1.00 51.42 H new ATOM 0 HB2 ALA A 2 11.388 -0.512 -2.077 1.00 51.42 H new ATOM 0 HB3 ALA A 2 11.101 -1.148 -3.714 1.00 51.42 H new ATOM 27 N ARG A 3 8.380 1.301 -4.935 1.00 25.42 N ATOM 28 CA ARG A 3 8.004 1.745 -6.271 1.00 53.41 C ATOM 29 C ARG A 3 7.380 3.137 -6.225 1.00 50.22 C ATOM 30 O ARG A 3 7.524 3.925 -7.159 1.00 63.54 O ATOM 31 CB ARG A 3 7.023 0.756 -6.904 1.00 1.15 C ATOM 32 CG ARG A 3 5.760 0.544 -6.086 1.00 32.34 C ATOM 33 CD ARG A 3 5.164 -0.835 -6.328 1.00 5.53 C ATOM 34 NE ARG A 3 3.814 -0.950 -5.785 1.00 32.55 N ATOM 35 CZ ARG A 3 2.731 -0.495 -6.404 1.00 51.52 C ATOM 36 NH1 ARG A 3 2.840 0.104 -7.582 1.00 53.31 N ATOM 37 NH2 ARG A 3 1.536 -0.638 -5.846 1.00 13.33 N ATOM 0 H ARG A 3 7.603 1.239 -4.277 1.00 25.42 H new ATOM 0 HA ARG A 3 8.907 1.789 -6.879 1.00 53.41 H new ATOM 0 HB2 ARG A 3 6.748 1.115 -7.896 1.00 1.15 H new ATOM 0 HB3 ARG A 3 7.523 -0.203 -7.039 1.00 1.15 H new ATOM 0 HG2 ARG A 3 5.987 0.663 -5.027 1.00 32.34 H new ATOM 0 HG3 ARG A 3 5.027 1.309 -6.342 1.00 32.34 H new ATOM 0 HD2 ARG A 3 5.143 -1.038 -7.399 1.00 5.53 H new ATOM 0 HD3 ARG A 3 5.804 -1.591 -5.873 1.00 5.53 H new ATOM 0 HE ARG A 3 3.696 -1.405 -4.880 1.00 32.55 H new ATOM 0 HH11 ARG A 3 3.757 0.216 -8.014 1.00 53.31 H new ATOM 0 HH12 ARG A 3 2.007 0.453 -8.056 1.00 53.31 H new ATOM 0 HH21 ARG A 3 1.448 -1.098 -4.940 1.00 13.33 H new ATOM 0 HH22 ARG A 3 0.705 -0.288 -6.323 1.00 13.33 H new ATOM 51 N GLY A 4 6.685 3.433 -5.131 1.00 1.13 N ATOM 52 CA GLY A 4 6.049 4.729 -4.984 1.00 3.34 C ATOM 53 C GLY A 4 7.043 5.872 -5.040 1.00 2.44 C ATOM 54 O GLY A 4 6.670 7.015 -5.303 1.00 41.51 O ATOM 0 H GLY A 4 6.551 2.798 -4.344 1.00 1.13 H new ATOM 0 HA2 GLY A 4 5.307 4.858 -5.772 1.00 3.34 H new ATOM 0 HA3 GLY A 4 5.515 4.762 -4.035 1.00 3.34 H new ATOM 58 N TRP A 5 8.311 5.565 -4.790 1.00 33.52 N ATOM 59 CA TRP A 5 9.361 6.576 -4.811 1.00 42.15 C ATOM 60 C TRP A 5 10.184 6.479 -6.091 1.00 40.14 C ATOM 61 O TRP A 5 11.221 7.129 -6.226 1.00 12.41 O ATOM 62 CB TRP A 5 10.272 6.422 -3.592 1.00 73.52 C ATOM 63 CG TRP A 5 9.520 6.247 -2.308 1.00 34.34 C ATOM 64 CD1 TRP A 5 9.741 5.297 -1.351 1.00 54.22 C ATOM 65 CD2 TRP A 5 8.424 7.042 -1.841 1.00 5.03 C ATOM 66 NE1 TRP A 5 8.849 5.454 -0.318 1.00 12.42 N ATOM 67 CE2 TRP A 5 8.031 6.518 -0.593 1.00 43.35 C ATOM 68 CE3 TRP A 5 7.739 8.147 -2.353 1.00 62.45 C ATOM 69 CZ2 TRP A 5 6.983 7.062 0.145 1.00 65.12 C ATOM 70 CZ3 TRP A 5 6.699 8.685 -1.620 1.00 23.23 C ATOM 71 CH2 TRP A 5 6.330 8.143 -0.381 1.00 71.03 C ATOM 0 H TRP A 5 8.637 4.624 -4.570 1.00 33.52 H new ATOM 0 HA TRP A 5 8.886 7.557 -4.779 1.00 42.15 H new ATOM 0 HB2 TRP A 5 10.926 5.563 -3.742 1.00 73.52 H new ATOM 0 HB3 TRP A 5 10.913 7.300 -3.513 1.00 73.52 H new ATOM 0 HD1 TRP A 5 10.505 4.535 -1.400 1.00 54.22 H new ATOM 0 HE1 TRP A 5 8.803 4.872 0.519 1.00 12.42 H new ATOM 0 HE3 TRP A 5 8.018 8.573 -3.305 1.00 62.45 H new ATOM 0 HZ2 TRP A 5 6.696 6.645 1.099 1.00 65.12 H new ATOM 0 HZ3 TRP A 5 6.161 9.537 -2.008 1.00 23.23 H new ATOM 0 HH2 TRP A 5 5.514 8.588 0.169 1.00 71.03 H new ATOM 82 N LYS A 6 9.716 5.664 -7.030 1.00 60.41 N ATOM 83 CA LYS A 6 10.408 5.482 -8.301 1.00 14.21 C ATOM 84 C LYS A 6 10.573 6.814 -9.025 1.00 41.42 C ATOM 85 O LYS A 6 11.465 6.971 -9.859 1.00 42.50 O ATOM 86 CB LYS A 6 9.639 4.500 -9.188 1.00 21.45 C ATOM 87 CG LYS A 6 8.370 5.083 -9.784 1.00 40.11 C ATOM 88 CD LYS A 6 7.333 4.005 -10.053 1.00 3.23 C ATOM 89 CE LYS A 6 7.386 3.529 -11.496 1.00 73.13 C ATOM 90 NZ LYS A 6 7.529 2.049 -11.587 1.00 41.44 N ATOM 0 H LYS A 6 8.859 5.118 -6.935 1.00 60.41 H new ATOM 0 HA LYS A 6 11.398 5.076 -8.093 1.00 14.21 H new ATOM 0 HB2 LYS A 6 10.290 4.167 -9.996 1.00 21.45 H new ATOM 0 HB3 LYS A 6 9.383 3.618 -8.601 1.00 21.45 H new ATOM 0 HG2 LYS A 6 7.955 5.826 -9.103 1.00 40.11 H new ATOM 0 HG3 LYS A 6 8.608 5.600 -10.714 1.00 40.11 H new ATOM 0 HD2 LYS A 6 7.502 3.161 -9.384 1.00 3.23 H new ATOM 0 HD3 LYS A 6 6.338 4.392 -9.833 1.00 3.23 H new ATOM 0 HE2 LYS A 6 6.478 3.839 -12.014 1.00 73.13 H new ATOM 0 HE3 LYS A 6 8.223 4.007 -12.006 1.00 73.13 H new ATOM 0 HZ1 LYS A 6 7.561 1.764 -12.587 1.00 41.44 H new ATOM 0 HZ2 LYS A 6 8.408 1.755 -11.115 1.00 41.44 H new ATOM 0 HZ3 LYS A 6 6.718 1.593 -11.123 1.00 41.44 H new ATOM 104 N ARG A 7 9.709 7.771 -8.700 1.00 64.34 N ATOM 105 CA ARG A 7 9.761 9.089 -9.320 1.00 52.31 C ATOM 106 C ARG A 7 10.381 10.112 -8.373 1.00 25.35 C ATOM 107 O ARG A 7 11.059 11.044 -8.805 1.00 13.50 O ATOM 108 CB ARG A 7 8.356 9.541 -9.726 1.00 25.23 C ATOM 109 CG ARG A 7 7.950 9.090 -11.119 1.00 64.51 C ATOM 110 CD ARG A 7 6.457 8.816 -11.203 1.00 31.31 C ATOM 111 NE ARG A 7 6.035 8.491 -12.563 1.00 3.30 N ATOM 112 CZ ARG A 7 5.892 9.397 -13.524 1.00 2.32 C ATOM 113 NH1 ARG A 7 6.136 10.677 -13.275 1.00 30.51 N ATOM 114 NH2 ARG A 7 5.505 9.024 -14.737 1.00 12.22 N ATOM 0 H ARG A 7 8.965 7.658 -8.011 1.00 64.34 H new ATOM 0 HA ARG A 7 10.385 9.019 -10.211 1.00 52.31 H new ATOM 0 HB2 ARG A 7 7.636 9.155 -9.004 1.00 25.23 H new ATOM 0 HB3 ARG A 7 8.305 10.629 -9.676 1.00 25.23 H new ATOM 0 HG2 ARG A 7 8.222 9.857 -11.844 1.00 64.51 H new ATOM 0 HG3 ARG A 7 8.502 8.189 -11.386 1.00 64.51 H new ATOM 0 HD2 ARG A 7 6.202 7.991 -10.538 1.00 31.31 H new ATOM 0 HD3 ARG A 7 5.908 9.690 -10.852 1.00 31.31 H new ATOM 0 HE ARG A 7 5.839 7.515 -12.787 1.00 3.30 H new ATOM 0 HH11 ARG A 7 6.434 10.968 -12.344 1.00 30.51 H new ATOM 0 HH12 ARG A 7 6.025 11.371 -14.015 1.00 30.51 H new ATOM 0 HH21 ARG A 7 5.317 8.041 -14.932 1.00 12.22 H new ATOM 0 HH22 ARG A 7 5.396 9.721 -15.474 1.00 12.22 H new ATOM 128 N LYS A 8 10.145 9.930 -7.078 1.00 4.04 N ATOM 129 CA LYS A 8 10.681 10.835 -6.067 1.00 71.15 C ATOM 130 C LYS A 8 12.069 10.389 -5.619 1.00 32.05 C ATOM 131 O LYS A 8 13.076 10.987 -5.999 1.00 63.51 O ATOM 132 CB LYS A 8 9.740 10.901 -4.862 1.00 62.02 C ATOM 133 CG LYS A 8 8.801 12.094 -4.889 1.00 14.13 C ATOM 134 CD LYS A 8 7.451 11.728 -5.483 1.00 32.24 C ATOM 135 CE LYS A 8 6.349 11.779 -4.436 1.00 13.34 C ATOM 136 NZ LYS A 8 5.031 11.373 -4.997 1.00 54.21 N ATOM 0 H LYS A 8 9.586 9.164 -6.703 1.00 4.04 H new ATOM 0 HA LYS A 8 10.763 11.827 -6.510 1.00 71.15 H new ATOM 0 HB2 LYS A 8 9.150 9.985 -4.822 1.00 62.02 H new ATOM 0 HB3 LYS A 8 10.334 10.937 -3.949 1.00 62.02 H new ATOM 0 HG2 LYS A 8 8.663 12.473 -3.876 1.00 14.13 H new ATOM 0 HG3 LYS A 8 9.250 12.898 -5.472 1.00 14.13 H new ATOM 0 HD2 LYS A 8 7.213 12.413 -6.297 1.00 32.24 H new ATOM 0 HD3 LYS A 8 7.500 10.727 -5.912 1.00 32.24 H new ATOM 0 HE2 LYS A 8 6.607 11.123 -3.605 1.00 13.34 H new ATOM 0 HE3 LYS A 8 6.277 12.790 -4.034 1.00 13.34 H new ATOM 0 HZ1 LYS A 8 4.307 11.421 -4.252 1.00 54.21 H new ATOM 0 HZ2 LYS A 8 4.772 12.014 -5.774 1.00 54.21 H new ATOM 0 HZ3 LYS A 8 5.092 10.399 -5.358 1.00 54.21 H new ATOM 150 N CYS A 9 12.114 9.336 -4.810 1.00 0.44 N ATOM 151 CA CYS A 9 13.379 8.810 -4.310 1.00 2.14 C ATOM 152 C CYS A 9 13.648 7.417 -4.870 1.00 1.31 C ATOM 153 O CYS A 9 13.525 6.408 -4.176 1.00 75.32 O ATOM 154 CB CYS A 9 13.368 8.765 -2.781 1.00 21.30 C ATOM 155 SG CYS A 9 13.117 10.374 -1.996 1.00 53.35 S ATOM 0 H CYS A 9 11.289 8.830 -4.487 1.00 0.44 H new ATOM 0 HA CYS A 9 14.177 9.475 -4.641 1.00 2.14 H new ATOM 0 HB2 CYS A 9 12.580 8.087 -2.454 1.00 21.30 H new ATOM 0 HB3 CYS A 9 14.313 8.347 -2.434 1.00 21.30 H new ATOM 0 HG CYS A 9 13.121 10.232 -0.704 1.00 53.35 H new ATOM 161 N PRO A 10 14.023 7.359 -6.156 1.00 42.04 N ATOM 162 CA PRO A 10 14.316 6.095 -6.839 1.00 42.31 C ATOM 163 C PRO A 10 15.601 5.447 -6.333 1.00 54.44 C ATOM 164 O PRO A 10 15.864 4.274 -6.602 1.00 13.44 O ATOM 165 CB PRO A 10 14.468 6.511 -8.305 1.00 32.35 C ATOM 166 CG PRO A 10 14.873 7.943 -8.252 1.00 55.52 C ATOM 167 CD PRO A 10 14.191 8.522 -7.043 1.00 51.44 C ATOM 0 HA PRO A 10 13.537 5.351 -6.671 1.00 42.31 H new ATOM 0 HB2 PRO A 10 15.219 5.906 -8.812 1.00 32.35 H new ATOM 0 HB3 PRO A 10 13.534 6.384 -8.852 1.00 32.35 H new ATOM 0 HG2 PRO A 10 15.956 8.040 -8.173 1.00 55.52 H new ATOM 0 HG3 PRO A 10 14.572 8.468 -9.159 1.00 55.52 H new ATOM 0 HD2 PRO A 10 14.794 9.300 -6.575 1.00 51.44 H new ATOM 0 HD3 PRO A 10 13.233 8.973 -7.300 1.00 51.44 H new ATOM 175 N LEU A 11 16.397 6.217 -5.600 1.00 42.55 N ATOM 176 CA LEU A 11 17.655 5.718 -5.056 1.00 62.02 C ATOM 177 C LEU A 11 17.413 4.536 -4.122 1.00 44.53 C ATOM 178 O LEU A 11 18.277 3.675 -3.958 1.00 23.22 O ATOM 179 CB LEU A 11 18.388 6.833 -4.308 1.00 21.33 C ATOM 180 CG LEU A 11 19.816 6.515 -3.861 1.00 53.33 C ATOM 181 CD1 LEU A 11 20.741 7.684 -4.163 1.00 24.44 C ATOM 182 CD2 LEU A 11 19.848 6.176 -2.378 1.00 73.33 C ATOM 0 H LEU A 11 16.194 7.189 -5.369 1.00 42.55 H new ATOM 0 HA LEU A 11 18.274 5.380 -5.887 1.00 62.02 H new ATOM 0 HB2 LEU A 11 18.417 7.715 -4.948 1.00 21.33 H new ATOM 0 HB3 LEU A 11 17.803 7.098 -3.427 1.00 21.33 H new ATOM 0 HG LEU A 11 20.167 5.647 -4.419 1.00 53.33 H new ATOM 0 HD11 LEU A 11 21.753 7.441 -3.839 1.00 24.44 H new ATOM 0 HD12 LEU A 11 20.741 7.880 -5.235 1.00 24.44 H new ATOM 0 HD13 LEU A 11 20.393 8.570 -3.632 1.00 24.44 H new ATOM 0 HD21 LEU A 11 20.872 5.953 -2.078 1.00 73.33 H new ATOM 0 HD22 LEU A 11 19.478 7.025 -1.803 1.00 73.33 H new ATOM 0 HD23 LEU A 11 19.217 5.307 -2.190 1.00 73.33 H new ATOM 194 N PHE A 12 16.232 4.501 -3.514 1.00 42.53 N ATOM 195 CA PHE A 12 15.876 3.425 -2.598 1.00 32.23 C ATOM 196 C PHE A 12 14.640 2.678 -3.091 1.00 30.35 C ATOM 197 O PHE A 12 13.914 2.070 -2.305 1.00 0.11 O ATOM 198 CB PHE A 12 15.623 3.983 -1.196 1.00 31.14 C ATOM 199 CG PHE A 12 16.238 3.157 -0.102 1.00 11.41 C ATOM 200 CD1 PHE A 12 16.945 3.761 0.925 1.00 25.22 C ATOM 201 CD2 PHE A 12 16.109 1.778 -0.101 1.00 70.22 C ATOM 202 CE1 PHE A 12 17.512 3.004 1.933 1.00 5.15 C ATOM 203 CE2 PHE A 12 16.673 1.016 0.904 1.00 3.04 C ATOM 204 CZ PHE A 12 17.377 1.630 1.922 1.00 31.33 C ATOM 0 H PHE A 12 15.505 5.206 -3.639 1.00 42.53 H new ATOM 0 HA PHE A 12 16.710 2.725 -2.558 1.00 32.23 H new ATOM 0 HB2 PHE A 12 16.018 4.997 -1.141 1.00 31.14 H new ATOM 0 HB3 PHE A 12 14.548 4.050 -1.029 1.00 31.14 H new ATOM 0 HD1 PHE A 12 17.054 4.835 0.938 1.00 25.22 H new ATOM 0 HD2 PHE A 12 15.561 1.293 -0.895 1.00 70.22 H new ATOM 0 HE1 PHE A 12 18.060 3.487 2.728 1.00 5.15 H new ATOM 0 HE2 PHE A 12 16.564 -0.058 0.894 1.00 3.04 H new ATOM 0 HZ PHE A 12 17.821 1.036 2.708 1.00 31.33 H new ATOM 214 N GLY A 13 14.407 2.729 -4.399 1.00 24.43 N ATOM 215 CA GLY A 13 13.259 2.054 -4.975 1.00 31.13 C ATOM 216 C GLY A 13 13.654 0.882 -5.851 1.00 43.24 C ATOM 217 O GLY A 13 12.967 0.562 -6.821 1.00 53.53 O ATOM 0 H GLY A 13 14.993 3.226 -5.070 1.00 24.43 H new ATOM 0 HA2 GLY A 13 12.609 1.702 -4.174 1.00 31.13 H new ATOM 0 HA3 GLY A 13 12.681 2.766 -5.565 1.00 31.13 H new ATOM 221 N LYS A 14 14.767 0.240 -5.512 1.00 11.24 N ATOM 222 CA LYS A 14 15.255 -0.903 -6.274 1.00 54.23 C ATOM 223 C LYS A 14 15.281 -2.161 -5.412 1.00 53.13 C ATOM 224 O LYS A 14 16.051 -3.085 -5.669 1.00 4.13 O ATOM 225 CB LYS A 14 16.655 -0.617 -6.821 1.00 61.21 C ATOM 226 CG LYS A 14 17.602 -0.027 -5.790 1.00 72.23 C ATOM 227 CD LYS A 14 18.906 -0.803 -5.723 1.00 25.24 C ATOM 228 CE LYS A 14 19.849 -0.219 -4.681 1.00 70.24 C ATOM 229 NZ LYS A 14 19.221 -0.167 -3.332 1.00 41.11 N ATOM 0 H LYS A 14 15.349 0.493 -4.713 1.00 11.24 H new ATOM 0 HA LYS A 14 14.573 -1.070 -7.108 1.00 54.23 H new ATOM 0 HB2 LYS A 14 17.082 -1.543 -7.206 1.00 61.21 H new ATOM 0 HB3 LYS A 14 16.574 0.071 -7.663 1.00 61.21 H new ATOM 0 HG2 LYS A 14 17.809 1.014 -6.038 1.00 72.23 H new ATOM 0 HG3 LYS A 14 17.124 -0.032 -4.810 1.00 72.23 H new ATOM 0 HD2 LYS A 14 18.698 -1.846 -5.484 1.00 25.24 H new ATOM 0 HD3 LYS A 14 19.389 -0.790 -6.700 1.00 25.24 H new ATOM 0 HE2 LYS A 14 20.757 -0.820 -4.636 1.00 70.24 H new ATOM 0 HE3 LYS A 14 20.146 0.786 -4.982 1.00 70.24 H new ATOM 0 HZ1 LYS A 14 19.953 0.008 -2.615 1.00 41.11 H new ATOM 0 HZ2 LYS A 14 18.520 0.600 -3.305 1.00 41.11 H new ATOM 0 HZ3 LYS A 14 18.751 -1.073 -3.133 1.00 41.11 H new ATOM 243 N GLY A 15 14.432 -2.190 -4.389 1.00 53.13 N ATOM 244 CA GLY A 15 14.373 -3.340 -3.506 1.00 62.13 C ATOM 245 C GLY A 15 13.392 -4.391 -3.987 1.00 11.31 C ATOM 246 O GLY A 15 13.767 -5.537 -4.228 1.00 24.25 O ATOM 0 H GLY A 15 13.784 -1.437 -4.156 1.00 53.13 H new ATOM 0 HA2 GLY A 15 15.365 -3.784 -3.425 1.00 62.13 H new ATOM 0 HA3 GLY A 15 14.088 -3.012 -2.506 1.00 62.13 H new ATOM 250 N GLY A 16 12.129 -3.999 -4.126 1.00 33.23 N ATOM 251 CA GLY A 16 11.110 -4.928 -4.578 1.00 73.22 C ATOM 252 C GLY A 16 10.261 -5.458 -3.439 1.00 50.33 C ATOM 253 O GLY A 16 10.649 -5.369 -2.274 1.00 73.34 O ATOM 0 H GLY A 16 11.794 -3.055 -3.934 1.00 33.23 H new ATOM 0 HA2 GLY A 16 10.467 -4.432 -5.305 1.00 73.22 H new ATOM 0 HA3 GLY A 16 11.586 -5.763 -5.091 1.00 73.22 H new TER 257 GLY A 16