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+ -162:sc= -0.0842 (180deg=-0.578) 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 3.044 1.075 -0.191 1.00 55.34 N ATOM 2 CA VAL A 1 2.814 -0.022 -1.124 1.00 14.22 C ATOM 3 C VAL A 1 3.804 -1.157 -0.891 1.00 72.33 C ATOM 4 O VAL A 1 4.995 -1.022 -1.168 1.00 2.12 O ATOM 5 CB VAL A 1 2.926 0.451 -2.585 1.00 55.14 C ATOM 6 CG1 VAL A 1 2.589 -0.683 -3.541 1.00 75.31 C ATOM 7 CG2 VAL A 1 2.021 1.650 -2.828 1.00 20.11 C ATOM 0 H1 VAL A 1 2.201 1.683 -0.155 1.00 55.34 H new ATOM 0 H2 VAL A 1 3.235 0.691 0.756 1.00 55.34 H new ATOM 0 H3 VAL A 1 3.861 1.635 -0.508 1.00 55.34 H new ATOM 0 HA VAL A 1 1.802 -0.384 -0.944 1.00 14.22 H new ATOM 0 HB VAL A 1 3.955 0.758 -2.771 1.00 55.14 H new ATOM 0 HG11 VAL A 1 2.674 -0.330 -4.569 1.00 75.31 H new ATOM 0 HG12 VAL A 1 3.282 -1.510 -3.383 1.00 75.31 H new ATOM 0 HG13 VAL A 1 1.570 -1.023 -3.357 1.00 75.31 H new ATOM 0 HG21 VAL A 1 2.113 1.971 -3.866 1.00 20.11 H new ATOM 0 HG22 VAL A 1 0.987 1.372 -2.624 1.00 20.11 H new ATOM 0 HG23 VAL A 1 2.314 2.467 -2.168 1.00 20.11 H new ATOM 17 N ALA A 2 3.302 -2.277 -0.382 1.00 21.54 N ATOM 18 CA ALA A 2 4.142 -3.438 -0.114 1.00 61.31 C ATOM 19 C ALA A 2 3.660 -4.656 -0.895 1.00 63.21 C ATOM 20 O ALA A 2 3.044 -5.562 -0.333 1.00 44.11 O ATOM 21 CB ALA A 2 4.165 -3.740 1.377 1.00 64.50 C ATOM 0 H ALA A 2 2.318 -2.405 -0.147 1.00 21.54 H new ATOM 0 HA ALA A 2 5.155 -3.206 -0.442 1.00 61.31 H new ATOM 0 HB1 ALA A 2 4.796 -4.609 1.562 1.00 64.50 H new ATOM 0 HB2 ALA A 2 4.564 -2.881 1.916 1.00 64.50 H new ATOM 0 HB3 ALA A 2 3.152 -3.947 1.722 1.00 64.50 H new ATOM 27 N ARG A 3 3.944 -4.671 -2.193 1.00 62.04 N ATOM 28 CA ARG A 3 3.538 -5.777 -3.052 1.00 31.23 C ATOM 29 C ARG A 3 4.696 -6.745 -3.276 1.00 31.33 C ATOM 30 O ARG A 3 4.513 -7.833 -3.821 1.00 53.30 O ATOM 31 CB ARG A 3 3.033 -5.249 -4.396 1.00 24.01 C ATOM 32 CG ARG A 3 2.494 -6.334 -5.313 1.00 61.41 C ATOM 33 CD ARG A 3 3.277 -6.403 -6.615 1.00 30.41 C ATOM 34 NE ARG A 3 2.409 -6.648 -7.763 1.00 73.54 N ATOM 35 CZ ARG A 3 2.785 -6.457 -9.023 1.00 32.40 C ATOM 36 NH1 ARG A 3 4.007 -6.022 -9.295 1.00 2.45 N ATOM 37 NH2 ARG A 3 1.938 -6.703 -10.014 1.00 55.12 N ATOM 0 H ARG A 3 4.454 -3.929 -2.673 1.00 62.04 H new ATOM 0 HA ARG A 3 2.730 -6.313 -2.554 1.00 31.23 H new ATOM 0 HB2 ARG A 3 2.248 -4.514 -4.216 1.00 24.01 H new ATOM 0 HB3 ARG A 3 3.847 -4.729 -4.901 1.00 24.01 H new ATOM 0 HG2 ARG A 3 2.543 -7.298 -4.806 1.00 61.41 H new ATOM 0 HG3 ARG A 3 1.443 -6.141 -5.529 1.00 61.41 H new ATOM 0 HD2 ARG A 3 3.818 -5.468 -6.763 1.00 30.41 H new ATOM 0 HD3 ARG A 3 4.022 -7.196 -6.548 1.00 30.41 H new ATOM 0 HE ARG A 3 1.462 -6.984 -7.588 1.00 73.54 H new ATOM 0 HH11 ARG A 3 4.662 -5.833 -8.536 1.00 2.45 H new ATOM 0 HH12 ARG A 3 4.293 -5.876 -10.263 1.00 2.45 H new ATOM 0 HH21 ARG A 3 0.997 -7.039 -9.809 1.00 55.12 H new ATOM 0 HH22 ARG A 3 2.228 -6.556 -10.981 1.00 55.12 H new ATOM 51 N GLY A 4 5.889 -6.341 -2.851 1.00 23.22 N ATOM 52 CA GLY A 4 7.059 -7.184 -3.014 1.00 44.25 C ATOM 53 C GLY A 4 6.875 -8.558 -2.401 1.00 50.41 C ATOM 54 O GLY A 4 7.675 -9.463 -2.638 1.00 2.44 O ATOM 0 H GLY A 4 6.066 -5.445 -2.397 1.00 23.22 H new ATOM 0 HA2 GLY A 4 7.281 -7.290 -4.076 1.00 44.25 H new ATOM 0 HA3 GLY A 4 7.920 -6.698 -2.555 1.00 44.25 H new ATOM 58 N TRP A 5 5.820 -8.714 -1.610 1.00 55.54 N ATOM 59 CA TRP A 5 5.534 -9.987 -0.960 1.00 31.25 C ATOM 60 C TRP A 5 5.890 -11.156 -1.871 1.00 24.30 C ATOM 61 O TRP A 5 6.924 -11.801 -1.695 1.00 21.52 O ATOM 62 CB TRP A 5 4.058 -10.063 -0.566 1.00 53.33 C ATOM 63 CG TRP A 5 3.718 -9.227 0.630 1.00 2.53 C ATOM 64 CD1 TRP A 5 3.927 -7.885 0.779 1.00 61.13 C ATOM 65 CD2 TRP A 5 3.112 -9.677 1.846 1.00 34.14 C ATOM 66 NE1 TRP A 5 3.487 -7.475 2.014 1.00 50.40 N ATOM 67 CE2 TRP A 5 2.982 -8.555 2.688 1.00 54.22 C ATOM 68 CE3 TRP A 5 2.664 -10.919 2.306 1.00 52.43 C ATOM 69 CZ2 TRP A 5 2.424 -8.640 3.961 1.00 50.13 C ATOM 70 CZ3 TRP A 5 2.111 -11.001 3.569 1.00 30.44 C ATOM 71 CH2 TRP A 5 1.994 -9.868 4.385 1.00 41.21 C ATOM 0 H TRP A 5 5.148 -7.975 -1.403 1.00 55.54 H new ATOM 0 HA TRP A 5 6.146 -10.052 -0.061 1.00 31.25 H new ATOM 0 HB2 TRP A 5 3.447 -9.742 -1.410 1.00 53.33 H new ATOM 0 HB3 TRP A 5 3.797 -11.101 -0.360 1.00 53.33 H new ATOM 0 HD1 TRP A 5 4.373 -7.241 0.035 1.00 61.13 H new ATOM 0 HE1 TRP A 5 3.530 -6.521 2.371 1.00 50.40 H new ATOM 0 HE3 TRP A 5 2.749 -11.798 1.685 1.00 52.43 H new ATOM 0 HZ2 TRP A 5 2.334 -7.768 4.591 1.00 50.13 H new ATOM 0 HZ3 TRP A 5 1.762 -11.956 3.934 1.00 30.44 H new ATOM 0 HH2 TRP A 5 1.556 -9.966 5.367 1.00 41.21 H new ATOM 82 N LYS A 6 5.029 -11.425 -2.846 1.00 52.32 N ATOM 83 CA LYS A 6 5.253 -12.516 -3.787 1.00 41.43 C ATOM 84 C LYS A 6 6.467 -12.235 -4.667 1.00 5.45 C ATOM 85 O LYS A 6 7.163 -13.156 -5.094 1.00 74.40 O ATOM 86 CB LYS A 6 4.015 -12.725 -4.662 1.00 33.24 C ATOM 87 CG LYS A 6 4.283 -13.548 -5.910 1.00 4.13 C ATOM 88 CD LYS A 6 4.603 -12.663 -7.103 1.00 4.13 C ATOM 89 CE LYS A 6 5.816 -13.173 -7.866 1.00 5.14 C ATOM 90 NZ LYS A 6 5.546 -13.287 -9.325 1.00 72.05 N ATOM 0 H LYS A 6 4.168 -10.902 -3.005 1.00 52.32 H new ATOM 0 HA LYS A 6 5.443 -13.423 -3.213 1.00 41.43 H new ATOM 0 HB2 LYS A 6 3.242 -13.217 -4.072 1.00 33.24 H new ATOM 0 HB3 LYS A 6 3.620 -11.753 -4.956 1.00 33.24 H new ATOM 0 HG2 LYS A 6 5.115 -14.228 -5.727 1.00 4.13 H new ATOM 0 HG3 LYS A 6 3.412 -14.163 -6.135 1.00 4.13 H new ATOM 0 HD2 LYS A 6 3.742 -12.625 -7.770 1.00 4.13 H new ATOM 0 HD3 LYS A 6 4.788 -11.644 -6.762 1.00 4.13 H new ATOM 0 HE2 LYS A 6 6.657 -12.498 -7.704 1.00 5.14 H new ATOM 0 HE3 LYS A 6 6.109 -14.147 -7.474 1.00 5.14 H new ATOM 0 HZ1 LYS A 6 6.397 -13.638 -9.809 1.00 72.05 H new ATOM 0 HZ2 LYS A 6 4.760 -13.950 -9.482 1.00 72.05 H new ATOM 0 HZ3 LYS A 6 5.292 -12.353 -9.705 1.00 72.05 H new ATOM 104 N ARG A 7 6.718 -10.956 -4.931 1.00 74.53 N ATOM 105 CA ARG A 7 7.848 -10.555 -5.759 1.00 44.13 C ATOM 106 C ARG A 7 9.154 -11.121 -5.208 1.00 51.22 C ATOM 107 O ARG A 7 9.677 -12.112 -5.717 1.00 22.54 O ATOM 108 CB ARG A 7 7.934 -9.030 -5.838 1.00 1.53 C ATOM 109 CG ARG A 7 6.646 -8.370 -6.302 1.00 33.12 C ATOM 110 CD ARG A 7 6.849 -6.891 -6.589 1.00 1.31 C ATOM 111 NE ARG A 7 6.847 -6.606 -8.021 1.00 54.33 N ATOM 112 CZ ARG A 7 7.279 -5.464 -8.544 1.00 42.22 C ATOM 113 NH1 ARG A 7 7.747 -4.505 -7.756 1.00 71.35 N ATOM 114 NH2 ARG A 7 7.245 -5.279 -9.858 1.00 31.13 N ATOM 0 H ARG A 7 6.154 -10.181 -4.583 1.00 74.53 H new ATOM 0 HA ARG A 7 7.692 -10.956 -6.761 1.00 44.13 H new ATOM 0 HB2 ARG A 7 8.200 -8.638 -4.856 1.00 1.53 H new ATOM 0 HB3 ARG A 7 8.739 -8.755 -6.519 1.00 1.53 H new ATOM 0 HG2 ARG A 7 6.283 -8.869 -7.200 1.00 33.12 H new ATOM 0 HG3 ARG A 7 5.878 -8.491 -5.538 1.00 33.12 H new ATOM 0 HD2 ARG A 7 6.060 -6.316 -6.104 1.00 1.31 H new ATOM 0 HD3 ARG A 7 7.794 -6.564 -6.156 1.00 1.31 H new ATOM 0 HE ARG A 7 6.494 -7.323 -8.655 1.00 54.33 H new ATOM 0 HH11 ARG A 7 7.776 -4.644 -6.746 1.00 71.35 H new ATOM 0 HH12 ARG A 7 8.078 -3.629 -8.160 1.00 71.35 H new ATOM 0 HH21 ARG A 7 6.887 -6.014 -10.467 1.00 31.13 H new ATOM 0 HH22 ARG A 7 7.577 -4.402 -10.258 1.00 31.13 H new ATOM 128 N LYS A 8 9.675 -10.483 -4.165 1.00 64.44 N ATOM 129 CA LYS A 8 10.919 -10.922 -3.544 1.00 20.34 C ATOM 130 C LYS A 8 10.639 -11.799 -2.327 1.00 64.23 C ATOM 131 O LYS A 8 10.736 -13.025 -2.399 1.00 10.13 O ATOM 132 CB LYS A 8 11.761 -9.713 -3.131 1.00 24.00 C ATOM 133 CG LYS A 8 12.173 -8.832 -4.298 1.00 15.44 C ATOM 134 CD LYS A 8 12.807 -7.536 -3.821 1.00 2.11 C ATOM 135 CE LYS A 8 14.193 -7.774 -3.242 1.00 23.21 C ATOM 136 NZ LYS A 8 14.568 -6.727 -2.251 1.00 60.52 N ATOM 0 H LYS A 8 9.255 -9.660 -3.732 1.00 64.44 H new ATOM 0 HA LYS A 8 11.473 -11.511 -4.275 1.00 20.34 H new ATOM 0 HB2 LYS A 8 11.196 -9.114 -2.416 1.00 24.00 H new ATOM 0 HB3 LYS A 8 12.656 -10.063 -2.617 1.00 24.00 H new ATOM 0 HG2 LYS A 8 12.877 -9.371 -4.931 1.00 15.44 H new ATOM 0 HG3 LYS A 8 11.300 -8.607 -4.911 1.00 15.44 H new ATOM 0 HD2 LYS A 8 12.874 -6.835 -4.653 1.00 2.11 H new ATOM 0 HD3 LYS A 8 12.170 -7.075 -3.066 1.00 2.11 H new ATOM 0 HE2 LYS A 8 14.224 -8.753 -2.765 1.00 23.21 H new ATOM 0 HE3 LYS A 8 14.926 -7.789 -4.049 1.00 23.21 H new ATOM 0 HZ1 LYS A 8 15.519 -6.925 -1.880 1.00 60.52 H new ATOM 0 HZ2 LYS A 8 14.564 -5.795 -2.712 1.00 60.52 H new ATOM 0 HZ3 LYS A 8 13.883 -6.729 -1.468 1.00 60.52 H new ATOM 150 N CYS A 9 10.292 -11.164 -1.214 1.00 34.34 N ATOM 151 CA CYS A 9 9.997 -11.887 0.019 1.00 70.45 C ATOM 152 C CYS A 9 8.586 -11.577 0.507 1.00 74.43 C ATOM 153 O CYS A 9 8.179 -10.420 0.612 1.00 31.21 O ATOM 154 CB CYS A 9 11.015 -11.527 1.102 1.00 71.24 C ATOM 155 SG CYS A 9 12.316 -12.761 1.331 1.00 21.55 S ATOM 0 H CYS A 9 10.208 -10.150 -1.139 1.00 34.34 H new ATOM 0 HA CYS A 9 10.063 -12.955 -0.191 1.00 70.45 H new ATOM 0 HB2 CYS A 9 11.475 -10.572 0.850 1.00 71.24 H new ATOM 0 HB3 CYS A 9 10.490 -11.388 2.047 1.00 71.24 H new ATOM 0 HG CYS A 9 13.129 -12.366 2.266 1.00 21.55 H new ATOM 161 N PRO A 10 7.819 -12.635 0.811 1.00 73.15 N ATOM 162 CA PRO A 10 6.440 -12.501 1.291 1.00 24.43 C ATOM 163 C PRO A 10 6.372 -11.923 2.700 1.00 15.25 C ATOM 164 O PRO A 10 5.287 -11.666 3.225 1.00 30.41 O ATOM 165 CB PRO A 10 5.919 -13.941 1.278 1.00 10.51 C ATOM 166 CG PRO A 10 7.138 -14.786 1.414 1.00 72.32 C ATOM 167 CD PRO A 10 8.238 -14.043 0.709 1.00 44.13 C ATOM 0 HA PRO A 10 5.857 -11.817 0.674 1.00 24.43 H new ATOM 0 HB2 PRO A 10 5.222 -14.117 2.097 1.00 10.51 H new ATOM 0 HB3 PRO A 10 5.386 -14.161 0.353 1.00 10.51 H new ATOM 0 HG2 PRO A 10 7.386 -14.947 2.463 1.00 72.32 H new ATOM 0 HG3 PRO A 10 6.983 -15.769 0.969 1.00 72.32 H new ATOM 0 HD2 PRO A 10 9.204 -14.210 1.184 1.00 44.13 H new ATOM 0 HD3 PRO A 10 8.335 -14.359 -0.330 1.00 44.13 H new ATOM 175 N LEU A 11 7.535 -11.719 3.309 1.00 52.13 N ATOM 176 CA LEU A 11 7.607 -11.169 4.658 1.00 33.42 C ATOM 177 C LEU A 11 8.044 -9.709 4.629 1.00 44.43 C ATOM 178 O LEU A 11 8.226 -9.083 5.673 1.00 5.04 O ATOM 179 CB LEU A 11 8.577 -11.987 5.512 1.00 21.40 C ATOM 180 CG LEU A 11 10.065 -11.717 5.283 1.00 74.12 C ATOM 181 CD1 LEU A 11 10.575 -10.673 6.264 1.00 54.35 C ATOM 182 CD2 LEU A 11 10.866 -13.005 5.407 1.00 10.34 C ATOM 0 H LEU A 11 8.441 -11.926 2.890 1.00 52.13 H new ATOM 0 HA LEU A 11 6.611 -11.221 5.098 1.00 33.42 H new ATOM 0 HB2 LEU A 11 8.352 -11.800 6.562 1.00 21.40 H new ATOM 0 HB3 LEU A 11 8.388 -13.045 5.329 1.00 21.40 H new ATOM 0 HG LEU A 11 10.193 -11.329 4.272 1.00 74.12 H new ATOM 0 HD11 LEU A 11 11.635 -10.494 6.086 1.00 54.35 H new ATOM 0 HD12 LEU A 11 10.022 -9.744 6.127 1.00 54.35 H new ATOM 0 HD13 LEU A 11 10.434 -11.032 7.283 1.00 54.35 H new ATOM 0 HD21 LEU A 11 11.922 -12.794 5.241 1.00 10.34 H new ATOM 0 HD22 LEU A 11 10.732 -13.422 6.405 1.00 10.34 H new ATOM 0 HD23 LEU A 11 10.518 -13.723 4.664 1.00 10.34 H new ATOM 194 N PHE A 12 8.210 -9.170 3.425 1.00 13.01 N ATOM 195 CA PHE A 12 8.625 -7.782 3.259 1.00 12.12 C ATOM 196 C PHE A 12 7.415 -6.853 3.220 1.00 74.40 C ATOM 197 O PHE A 12 7.181 -6.162 2.230 1.00 53.13 O ATOM 198 CB PHE A 12 9.446 -7.623 1.978 1.00 52.41 C ATOM 199 CG PHE A 12 10.914 -7.870 2.172 1.00 24.24 C ATOM 200 CD1 PHE A 12 11.355 -8.937 2.939 1.00 10.23 C ATOM 201 CD2 PHE A 12 11.854 -7.037 1.588 1.00 44.12 C ATOM 202 CE1 PHE A 12 12.706 -9.166 3.120 1.00 32.34 C ATOM 203 CE2 PHE A 12 13.207 -7.262 1.765 1.00 54.30 C ATOM 204 CZ PHE A 12 13.633 -8.329 2.532 1.00 53.55 C ATOM 0 H PHE A 12 8.063 -9.674 2.550 1.00 13.01 H new ATOM 0 HA PHE A 12 9.243 -7.509 4.115 1.00 12.12 H new ATOM 0 HB2 PHE A 12 9.066 -8.313 1.225 1.00 52.41 H new ATOM 0 HB3 PHE A 12 9.304 -6.615 1.588 1.00 52.41 H new ATOM 0 HD1 PHE A 12 10.635 -9.597 3.400 1.00 10.23 H new ATOM 0 HD2 PHE A 12 11.526 -6.202 0.987 1.00 44.12 H new ATOM 0 HE1 PHE A 12 13.036 -10.000 3.722 1.00 32.34 H new ATOM 0 HE2 PHE A 12 13.929 -6.605 1.304 1.00 54.30 H new ATOM 0 HZ PHE A 12 14.689 -8.508 2.671 1.00 53.55 H new ATOM 214 N GLY A 13 6.647 -6.844 4.306 1.00 64.30 N ATOM 215 CA GLY A 13 5.470 -5.998 4.376 1.00 62.54 C ATOM 216 C GLY A 13 5.798 -4.582 4.805 1.00 25.42 C ATOM 217 O GLY A 13 4.901 -3.768 5.024 1.00 45.34 O ATOM 0 H GLY A 13 6.819 -7.408 5.138 1.00 64.30 H new ATOM 0 HA2 GLY A 13 4.984 -5.975 3.400 1.00 62.54 H new ATOM 0 HA3 GLY A 13 4.757 -6.431 5.077 1.00 62.54 H new ATOM 221 N LYS A 14 7.088 -4.287 4.929 1.00 60.22 N ATOM 222 CA LYS A 14 7.534 -2.960 5.336 1.00 61.02 C ATOM 223 C LYS A 14 8.048 -2.168 4.138 1.00 42.21 C ATOM 224 O LYS A 14 7.959 -0.941 4.108 1.00 34.20 O ATOM 225 CB LYS A 14 8.632 -3.071 6.396 1.00 32.32 C ATOM 226 CG LYS A 14 9.746 -4.033 6.020 1.00 52.30 C ATOM 227 CD LYS A 14 11.115 -3.406 6.222 1.00 22.11 C ATOM 228 CE LYS A 14 11.496 -3.361 7.694 1.00 70.30 C ATOM 229 NZ LYS A 14 12.803 -4.027 7.949 1.00 21.43 N ATOM 0 H LYS A 14 7.843 -4.950 4.753 1.00 60.22 H new ATOM 0 HA LYS A 14 6.680 -2.431 5.760 1.00 61.02 H new ATOM 0 HB2 LYS A 14 9.059 -2.083 6.569 1.00 32.32 H new ATOM 0 HB3 LYS A 14 8.186 -3.395 7.336 1.00 32.32 H new ATOM 0 HG2 LYS A 14 9.666 -4.937 6.623 1.00 52.30 H new ATOM 0 HG3 LYS A 14 9.632 -4.334 4.978 1.00 52.30 H new ATOM 0 HD2 LYS A 14 11.862 -3.975 5.669 1.00 22.11 H new ATOM 0 HD3 LYS A 14 11.117 -2.395 5.813 1.00 22.11 H new ATOM 0 HE2 LYS A 14 11.546 -2.324 8.025 1.00 70.30 H new ATOM 0 HE3 LYS A 14 10.720 -3.847 8.285 1.00 70.30 H new ATOM 0 HZ1 LYS A 14 13.027 -3.975 8.963 1.00 21.43 H new ATOM 0 HZ2 LYS A 14 12.748 -5.024 7.657 1.00 21.43 H new ATOM 0 HZ3 LYS A 14 13.549 -3.548 7.405 1.00 21.43 H new ATOM 243 N GLY A 15 8.586 -2.878 3.151 1.00 71.02 N ATOM 244 CA GLY A 15 9.105 -2.224 1.964 1.00 71.13 C ATOM 245 C GLY A 15 8.253 -2.487 0.738 1.00 50.12 C ATOM 246 O GLY A 15 7.332 -1.728 0.439 1.00 34.33 O ATOM 0 H GLY A 15 8.672 -3.894 3.152 1.00 71.02 H new ATOM 0 HA2 GLY A 15 9.161 -1.150 2.140 1.00 71.13 H new ATOM 0 HA3 GLY A 15 10.122 -2.570 1.777 1.00 71.13 H new ATOM 250 N GLY A 16 8.562 -3.565 0.024 1.00 64.03 N ATOM 251 CA GLY A 16 7.810 -3.906 -1.170 1.00 1.54 C ATOM 252 C GLY A 16 7.706 -2.746 -2.140 1.00 44.12 C ATOM 253 O GLY A 16 8.633 -2.486 -2.908 1.00 75.13 O ATOM 0 H GLY A 16 9.320 -4.209 0.251 1.00 64.03 H new ATOM 0 HA2 GLY A 16 8.287 -4.750 -1.668 1.00 1.54 H new ATOM 0 HA3 GLY A 16 6.809 -4.229 -0.885 1.00 1.54 H new TER 257 GLY A 16