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+ -122:sc= -0.418 (180deg=-0.63) 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 103:sc= -0.068 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.001 -1.121 1.073 1.00 45.24 N ATOM 2 CA VAL A 1 1.474 0.113 0.457 1.00 41.41 C ATOM 3 C VAL A 1 0.694 0.427 -0.815 1.00 13.14 C ATOM 4 O VAL A 1 -0.001 -0.432 -1.356 1.00 53.13 O ATOM 5 CB VAL A 1 2.975 0.033 0.119 1.00 54.14 C ATOM 6 CG1 VAL A 1 3.793 -0.215 1.376 1.00 2.04 C ATOM 7 CG2 VAL A 1 3.230 -1.052 -0.916 1.00 74.51 C ATOM 0 H1 VAL A 1 0.687 -0.926 2.045 1.00 45.24 H new ATOM 0 H2 VAL A 1 0.205 -1.501 0.522 1.00 45.24 H new ATOM 0 H3 VAL A 1 1.773 -1.817 1.092 1.00 45.24 H new ATOM 0 HA VAL A 1 1.315 0.910 1.183 1.00 41.41 H new ATOM 0 HB VAL A 1 3.286 0.988 -0.305 1.00 54.14 H new ATOM 0 HG11 VAL A 1 4.850 -0.268 1.117 1.00 2.04 H new ATOM 0 HG12 VAL A 1 3.633 0.601 2.081 1.00 2.04 H new ATOM 0 HG13 VAL A 1 3.483 -1.155 1.832 1.00 2.04 H new ATOM 0 HG21 VAL A 1 4.295 -1.095 -1.143 1.00 74.51 H new ATOM 0 HG22 VAL A 1 2.904 -2.015 -0.522 1.00 74.51 H new ATOM 0 HG23 VAL A 1 2.674 -0.825 -1.826 1.00 74.51 H new ATOM 17 N ALA A 2 0.814 1.664 -1.286 1.00 60.22 N ATOM 18 CA ALA A 2 0.122 2.091 -2.496 1.00 31.31 C ATOM 19 C ALA A 2 0.983 1.856 -3.733 1.00 14.04 C ATOM 20 O ALA A 2 1.192 2.765 -4.536 1.00 62.12 O ATOM 21 CB ALA A 2 -0.267 3.558 -2.392 1.00 3.14 C ATOM 0 H ALA A 2 1.384 2.388 -0.848 1.00 60.22 H new ATOM 0 HA ALA A 2 -0.784 1.493 -2.597 1.00 31.31 H new ATOM 0 HB1 ALA A 2 -0.783 3.863 -3.302 1.00 3.14 H new ATOM 0 HB2 ALA A 2 -0.927 3.700 -1.536 1.00 3.14 H new ATOM 0 HB3 ALA A 2 0.630 4.164 -2.263 1.00 3.14 H new ATOM 27 N ARG A 3 1.479 0.632 -3.879 1.00 22.04 N ATOM 28 CA ARG A 3 2.319 0.279 -5.017 1.00 20.01 C ATOM 29 C ARG A 3 1.582 0.518 -6.331 1.00 51.13 C ATOM 30 O ARG A 3 2.193 0.851 -7.346 1.00 12.42 O ATOM 31 CB ARG A 3 2.754 -1.185 -4.923 1.00 12.34 C ATOM 32 CG ARG A 3 1.595 -2.155 -4.756 1.00 4.43 C ATOM 33 CD ARG A 3 2.071 -3.599 -4.773 1.00 2.21 C ATOM 34 NE ARG A 3 2.591 -3.988 -6.081 1.00 23.21 N ATOM 35 CZ ARG A 3 3.208 -5.141 -6.313 1.00 23.42 C ATOM 36 NH1 ARG A 3 3.381 -6.014 -5.330 1.00 20.14 N ATOM 37 NH2 ARG A 3 3.654 -5.424 -7.530 1.00 53.14 N ATOM 0 H ARG A 3 1.314 -0.132 -3.224 1.00 22.04 H new ATOM 0 HA ARG A 3 3.203 0.916 -4.995 1.00 20.01 H new ATOM 0 HB2 ARG A 3 3.311 -1.448 -5.822 1.00 12.34 H new ATOM 0 HB3 ARG A 3 3.437 -1.299 -4.081 1.00 12.34 H new ATOM 0 HG2 ARG A 3 1.081 -1.951 -3.817 1.00 4.43 H new ATOM 0 HG3 ARG A 3 0.871 -2.000 -5.556 1.00 4.43 H new ATOM 0 HD2 ARG A 3 2.847 -3.734 -4.020 1.00 2.21 H new ATOM 0 HD3 ARG A 3 1.245 -4.256 -4.501 1.00 2.21 H new ATOM 0 HE ARG A 3 2.474 -3.339 -6.859 1.00 23.21 H new ATOM 0 HH11 ARG A 3 3.040 -5.801 -4.393 1.00 20.14 H new ATOM 0 HH12 ARG A 3 3.855 -6.899 -5.511 1.00 20.14 H new ATOM 0 HH21 ARG A 3 3.523 -4.756 -8.289 1.00 53.14 H new ATOM 0 HH22 ARG A 3 4.128 -6.310 -7.706 1.00 53.14 H new ATOM 51 N GLY A 4 0.264 0.345 -6.305 1.00 32.31 N ATOM 52 CA GLY A 4 -0.535 0.545 -7.500 1.00 2.10 C ATOM 53 C GLY A 4 -1.459 1.741 -7.386 1.00 0.22 C ATOM 54 O GLY A 4 -2.509 1.664 -6.748 1.00 21.11 O ATOM 0 H GLY A 4 -0.265 0.070 -5.477 1.00 32.31 H new ATOM 0 HA2 GLY A 4 0.125 0.680 -8.356 1.00 2.10 H new ATOM 0 HA3 GLY A 4 -1.126 -0.350 -7.692 1.00 2.10 H new ATOM 58 N TRP A 5 -1.068 2.850 -8.004 1.00 22.33 N ATOM 59 CA TRP A 5 -1.869 4.068 -7.967 1.00 4.22 C ATOM 60 C TRP A 5 -2.850 4.110 -9.133 1.00 44.42 C ATOM 61 O TRP A 5 -3.488 5.133 -9.384 1.00 35.42 O ATOM 62 CB TRP A 5 -0.962 5.300 -8.002 1.00 33.12 C ATOM 63 CG TRP A 5 -0.522 5.752 -6.642 1.00 42.05 C ATOM 64 CD1 TRP A 5 0.539 5.278 -5.925 1.00 44.31 C ATOM 65 CD2 TRP A 5 -1.132 6.766 -5.837 1.00 54.21 C ATOM 66 NE1 TRP A 5 0.625 5.937 -4.722 1.00 62.12 N ATOM 67 CE2 TRP A 5 -0.388 6.855 -4.644 1.00 52.14 C ATOM 68 CE3 TRP A 5 -2.234 7.609 -6.008 1.00 43.12 C ATOM 69 CZ2 TRP A 5 -0.713 7.752 -3.630 1.00 44.22 C ATOM 70 CZ3 TRP A 5 -2.554 8.499 -5.001 1.00 35.35 C ATOM 71 CH2 TRP A 5 -1.796 8.565 -3.824 1.00 41.43 C ATOM 0 H TRP A 5 -0.202 2.931 -8.536 1.00 22.33 H new ATOM 0 HA TRP A 5 -2.439 4.071 -7.038 1.00 4.22 H new ATOM 0 HB2 TRP A 5 -0.082 5.078 -8.606 1.00 33.12 H new ATOM 0 HB3 TRP A 5 -1.489 6.117 -8.496 1.00 33.12 H new ATOM 0 HD1 TRP A 5 1.212 4.500 -6.255 1.00 44.31 H new ATOM 0 HE1 TRP A 5 1.329 5.769 -4.004 1.00 62.12 H new ATOM 0 HE3 TRP A 5 -2.825 7.565 -6.911 1.00 43.12 H new ATOM 0 HZ2 TRP A 5 -0.131 7.804 -2.722 1.00 44.22 H new ATOM 0 HZ3 TRP A 5 -3.403 9.155 -5.123 1.00 35.35 H new ATOM 0 HH2 TRP A 5 -2.072 9.271 -3.055 1.00 41.43 H new ATOM 82 N LYS A 6 -2.965 2.994 -9.844 1.00 72.22 N ATOM 83 CA LYS A 6 -3.870 2.902 -10.984 1.00 2.11 C ATOM 84 C LYS A 6 -4.946 1.848 -10.741 1.00 44.33 C ATOM 85 O LYS A 6 -5.565 1.352 -11.682 1.00 64.35 O ATOM 86 CB LYS A 6 -3.088 2.565 -12.256 1.00 13.12 C ATOM 87 CG LYS A 6 -1.823 3.387 -12.428 1.00 23.02 C ATOM 88 CD LYS A 6 -0.582 2.577 -12.093 1.00 23.41 C ATOM 89 CE LYS A 6 0.687 3.297 -12.523 1.00 21.04 C ATOM 90 NZ LYS A 6 1.806 2.347 -12.773 1.00 5.23 N ATOM 0 H LYS A 6 -2.442 2.140 -9.651 1.00 72.22 H new ATOM 0 HA LYS A 6 -4.356 3.869 -11.109 1.00 2.11 H new ATOM 0 HB2 LYS A 6 -2.825 1.507 -12.241 1.00 13.12 H new ATOM 0 HB3 LYS A 6 -3.733 2.721 -13.121 1.00 13.12 H new ATOM 0 HG2 LYS A 6 -1.758 3.746 -13.455 1.00 23.02 H new ATOM 0 HG3 LYS A 6 -1.869 4.266 -11.785 1.00 23.02 H new ATOM 0 HD2 LYS A 6 -0.548 2.388 -11.020 1.00 23.41 H new ATOM 0 HD3 LYS A 6 -0.636 1.606 -12.586 1.00 23.41 H new ATOM 0 HE2 LYS A 6 0.490 3.872 -13.428 1.00 21.04 H new ATOM 0 HE3 LYS A 6 0.980 4.008 -11.751 1.00 21.04 H new ATOM 0 HZ1 LYS A 6 2.653 2.877 -13.064 1.00 5.23 H new ATOM 0 HZ2 LYS A 6 2.012 1.816 -11.903 1.00 5.23 H new ATOM 0 HZ3 LYS A 6 1.536 1.684 -13.527 1.00 5.23 H new ATOM 104 N ARG A 7 -5.164 1.513 -9.474 1.00 63.20 N ATOM 105 CA ARG A 7 -6.165 0.518 -9.108 1.00 51.25 C ATOM 106 C ARG A 7 -7.222 1.123 -8.189 1.00 4.15 C ATOM 107 O ARG A 7 -8.327 1.446 -8.623 1.00 15.02 O ATOM 108 CB ARG A 7 -5.501 -0.677 -8.423 1.00 61.42 C ATOM 109 CG ARG A 7 -4.896 -1.677 -9.395 1.00 24.33 C ATOM 110 CD ARG A 7 -3.376 -1.613 -9.386 1.00 33.35 C ATOM 111 NE ARG A 7 -2.815 -1.733 -10.729 1.00 13.14 N ATOM 112 CZ ARG A 7 -2.807 -2.865 -11.423 1.00 63.13 C ATOM 113 NH1 ARG A 7 -3.327 -3.969 -10.905 1.00 24.04 N ATOM 114 NH2 ARG A 7 -2.278 -2.894 -12.640 1.00 22.41 N ATOM 0 H ARG A 7 -4.661 1.916 -8.683 1.00 63.20 H new ATOM 0 HA ARG A 7 -6.654 0.178 -10.021 1.00 51.25 H new ATOM 0 HB2 ARG A 7 -4.720 -0.314 -7.755 1.00 61.42 H new ATOM 0 HB3 ARG A 7 -6.239 -1.186 -7.803 1.00 61.42 H new ATOM 0 HG2 ARG A 7 -5.220 -2.684 -9.132 1.00 24.33 H new ATOM 0 HG3 ARG A 7 -5.264 -1.476 -10.401 1.00 24.33 H new ATOM 0 HD2 ARG A 7 -3.056 -0.670 -8.942 1.00 33.35 H new ATOM 0 HD3 ARG A 7 -2.983 -2.411 -8.756 1.00 33.35 H new ATOM 0 HE ARG A 7 -2.407 -0.902 -11.157 1.00 13.14 H new ATOM 0 HH11 ARG A 7 -3.735 -3.951 -9.970 1.00 24.04 H new ATOM 0 HH12 ARG A 7 -3.319 -4.837 -11.441 1.00 24.04 H new ATOM 0 HH21 ARG A 7 -1.877 -2.047 -13.042 1.00 22.41 H new ATOM 0 HH22 ARG A 7 -2.272 -3.764 -13.173 1.00 22.41 H new ATOM 128 N LYS A 8 -6.874 1.273 -6.915 1.00 44.30 N ATOM 129 CA LYS A 8 -7.790 1.840 -5.933 1.00 32.24 C ATOM 130 C LYS A 8 -7.459 3.304 -5.660 1.00 22.51 C ATOM 131 O LYS A 8 -8.005 3.912 -4.739 1.00 24.04 O ATOM 132 CB LYS A 8 -7.730 1.041 -4.629 1.00 33.23 C ATOM 133 CG LYS A 8 -7.779 -0.463 -4.834 1.00 64.33 C ATOM 134 CD LYS A 8 -6.463 -1.121 -4.452 1.00 12.11 C ATOM 135 CE LYS A 8 -6.421 -1.464 -2.971 1.00 14.34 C ATOM 136 NZ LYS A 8 -5.120 -2.072 -2.578 1.00 42.35 N ATOM 0 H LYS A 8 -5.963 1.009 -6.539 1.00 44.30 H new ATOM 0 HA LYS A 8 -8.799 1.785 -6.341 1.00 32.24 H new ATOM 0 HB2 LYS A 8 -6.813 1.297 -4.098 1.00 33.23 H new ATOM 0 HB3 LYS A 8 -8.562 1.340 -3.991 1.00 33.23 H new ATOM 0 HG2 LYS A 8 -8.586 -0.887 -4.236 1.00 64.33 H new ATOM 0 HG3 LYS A 8 -8.007 -0.682 -5.877 1.00 64.33 H new ATOM 0 HD2 LYS A 8 -6.324 -2.028 -5.041 1.00 12.11 H new ATOM 0 HD3 LYS A 8 -5.637 -0.453 -4.695 1.00 12.11 H new ATOM 0 HE2 LYS A 8 -6.592 -0.561 -2.384 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -7.230 -2.155 -2.735 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -5.132 -2.291 -1.561 1.00 42.35 H new ATOM 0 HZ2 LYS A 8 -4.968 -2.947 -3.119 1.00 42.35 H new ATOM 0 HZ3 LYS A 8 -4.349 -1.403 -2.779 1.00 42.35 H new ATOM 150 N CYS A 9 -6.564 3.863 -6.466 1.00 62.25 N ATOM 151 CA CYS A 9 -6.161 5.256 -6.312 1.00 44.11 C ATOM 152 C CYS A 9 -6.456 6.051 -7.580 1.00 13.24 C ATOM 153 O CYS A 9 -5.580 6.292 -8.410 1.00 24.41 O ATOM 154 CB CYS A 9 -4.671 5.343 -5.977 1.00 11.54 C ATOM 155 SG CYS A 9 -4.130 4.173 -4.709 1.00 11.43 S ATOM 0 H CYS A 9 -6.103 3.373 -7.233 1.00 62.25 H new ATOM 0 HA CYS A 9 -6.737 5.687 -5.493 1.00 44.11 H new ATOM 0 HB2 CYS A 9 -4.095 5.170 -6.886 1.00 11.54 H new ATOM 0 HB3 CYS A 9 -4.443 6.355 -5.643 1.00 11.54 H new ATOM 0 HG CYS A 9 -3.513 3.177 -5.272 1.00 11.43 H new ATOM 161 N PRO A 10 -7.722 6.469 -7.735 1.00 25.41 N ATOM 162 CA PRO A 10 -8.163 7.242 -8.899 1.00 63.04 C ATOM 163 C PRO A 10 -7.592 8.656 -8.906 1.00 61.04 C ATOM 164 O PRO A 10 -7.750 9.395 -9.879 1.00 3.42 O ATOM 165 CB PRO A 10 -9.685 7.281 -8.744 1.00 20.44 C ATOM 166 CG PRO A 10 -9.921 7.113 -7.282 1.00 65.21 C ATOM 167 CD PRO A 10 -8.819 6.218 -6.785 1.00 43.32 C ATOM 0 HA PRO A 10 -7.828 6.795 -9.835 1.00 63.04 H new ATOM 0 HB2 PRO A 10 -10.096 8.224 -9.106 1.00 20.44 H new ATOM 0 HB3 PRO A 10 -10.162 6.485 -9.316 1.00 20.44 H new ATOM 0 HG2 PRO A 10 -9.903 8.075 -6.771 1.00 65.21 H new ATOM 0 HG3 PRO A 10 -10.899 6.670 -7.093 1.00 65.21 H new ATOM 0 HD2 PRO A 10 -8.530 6.465 -5.763 1.00 43.32 H new ATOM 0 HD3 PRO A 10 -9.120 5.170 -6.787 1.00 43.32 H new ATOM 175 N LEU A 11 -6.928 9.026 -7.817 1.00 41.21 N ATOM 176 CA LEU A 11 -6.332 10.353 -7.698 1.00 34.42 C ATOM 177 C LEU A 11 -5.246 10.558 -8.748 1.00 43.03 C ATOM 178 O LEU A 11 -5.174 11.609 -9.385 1.00 3.41 O ATOM 179 CB LEU A 11 -5.748 10.547 -6.298 1.00 25.32 C ATOM 180 CG LEU A 11 -6.630 10.095 -5.133 1.00 41.53 C ATOM 181 CD1 LEU A 11 -6.150 8.760 -4.586 1.00 50.11 C ATOM 182 CD2 LEU A 11 -6.645 11.149 -4.036 1.00 5.43 C ATOM 0 H LEU A 11 -6.788 8.427 -7.004 1.00 41.21 H new ATOM 0 HA LEU A 11 -7.115 11.093 -7.864 1.00 34.42 H new ATOM 0 HB2 LEU A 11 -4.803 10.007 -6.243 1.00 25.32 H new ATOM 0 HB3 LEU A 11 -5.519 11.604 -6.165 1.00 25.32 H new ATOM 0 HG LEU A 11 -7.648 9.968 -5.501 1.00 41.53 H new ATOM 0 HD11 LEU A 11 -6.790 8.455 -3.758 1.00 50.11 H new ATOM 0 HD12 LEU A 11 -6.192 8.008 -5.374 1.00 50.11 H new ATOM 0 HD13 LEU A 11 -5.123 8.859 -4.234 1.00 50.11 H new ATOM 0 HD21 LEU A 11 -7.277 10.811 -3.215 1.00 5.43 H new ATOM 0 HD22 LEU A 11 -5.630 11.308 -3.671 1.00 5.43 H new ATOM 0 HD23 LEU A 11 -7.038 12.084 -4.435 1.00 5.43 H new ATOM 194 N PHE A 12 -4.403 9.546 -8.926 1.00 1.00 N ATOM 195 CA PHE A 12 -3.320 9.615 -9.900 1.00 72.14 C ATOM 196 C PHE A 12 -3.639 8.766 -11.128 1.00 5.21 C ATOM 197 O PHE A 12 -3.538 7.541 -11.092 1.00 30.41 O ATOM 198 CB PHE A 12 -2.007 9.147 -9.269 1.00 71.05 C ATOM 199 CG PHE A 12 -1.363 10.180 -8.389 1.00 75.13 C ATOM 200 CD1 PHE A 12 -2.031 10.679 -7.283 1.00 11.53 C ATOM 201 CD2 PHE A 12 -0.091 10.651 -8.668 1.00 63.12 C ATOM 202 CE1 PHE A 12 -1.441 11.631 -6.472 1.00 33.42 C ATOM 203 CE2 PHE A 12 0.504 11.602 -7.861 1.00 25.25 C ATOM 204 CZ PHE A 12 -0.172 12.091 -6.760 1.00 45.42 C ATOM 0 H PHE A 12 -4.449 8.668 -8.408 1.00 1.00 H new ATOM 0 HA PHE A 12 -3.213 10.653 -10.215 1.00 72.14 H new ATOM 0 HB2 PHE A 12 -2.195 8.248 -8.682 1.00 71.05 H new ATOM 0 HB3 PHE A 12 -1.311 8.871 -10.061 1.00 71.05 H new ATOM 0 HD1 PHE A 12 -3.023 10.321 -7.052 1.00 11.53 H new ATOM 0 HD2 PHE A 12 0.442 10.271 -9.527 1.00 63.12 H new ATOM 0 HE1 PHE A 12 -1.973 12.014 -5.614 1.00 33.42 H new ATOM 0 HE2 PHE A 12 1.496 11.962 -8.091 1.00 25.25 H new ATOM 0 HZ PHE A 12 0.292 12.832 -6.126 1.00 45.42 H new ATOM 214 N GLY A 13 -4.024 9.429 -12.214 1.00 70.45 N ATOM 215 CA GLY A 13 -4.352 8.720 -13.438 1.00 11.22 C ATOM 216 C GLY A 13 -3.243 8.798 -14.468 1.00 53.33 C ATOM 217 O GLY A 13 -3.138 7.940 -15.345 1.00 22.03 O ATOM 0 H GLY A 13 -4.115 10.443 -12.269 1.00 70.45 H new ATOM 0 HA2 GLY A 13 -4.555 7.675 -13.205 1.00 11.22 H new ATOM 0 HA3 GLY A 13 -5.267 9.136 -13.861 1.00 11.22 H new ATOM 221 N LYS A 14 -2.414 9.831 -14.366 1.00 0.45 N ATOM 222 CA LYS A 14 -1.307 10.020 -15.296 1.00 11.13 C ATOM 223 C LYS A 14 0.013 9.589 -14.665 1.00 2.32 C ATOM 224 O LYS A 14 0.440 10.146 -13.654 1.00 61.31 O ATOM 225 CB LYS A 14 -1.223 11.485 -15.730 1.00 0.11 C ATOM 226 CG LYS A 14 -1.927 11.771 -17.045 1.00 64.03 C ATOM 227 CD LYS A 14 -3.415 11.477 -16.957 1.00 2.40 C ATOM 228 CE LYS A 14 -4.162 12.014 -18.168 1.00 42.33 C ATOM 229 NZ LYS A 14 -5.629 12.093 -17.925 1.00 42.31 N ATOM 0 H LYS A 14 -2.488 10.551 -13.648 1.00 0.45 H new ATOM 0 HA LYS A 14 -1.491 9.398 -16.172 1.00 11.13 H new ATOM 0 HB2 LYS A 14 -1.658 12.111 -14.951 1.00 0.11 H new ATOM 0 HB3 LYS A 14 -0.175 11.769 -15.820 1.00 0.11 H new ATOM 0 HG2 LYS A 14 -1.777 12.815 -17.319 1.00 64.03 H new ATOM 0 HG3 LYS A 14 -1.482 11.167 -17.836 1.00 64.03 H new ATOM 0 HD2 LYS A 14 -3.570 10.401 -16.880 1.00 2.40 H new ATOM 0 HD3 LYS A 14 -3.822 11.923 -16.050 1.00 2.40 H new ATOM 0 HE2 LYS A 14 -3.782 13.004 -18.419 1.00 42.33 H new ATOM 0 HE3 LYS A 14 -3.970 11.371 -19.027 1.00 42.33 H new ATOM 0 HZ1 LYS A 14 -6.102 12.464 -18.774 1.00 42.31 H new ATOM 0 HZ2 LYS A 14 -5.997 11.144 -17.710 1.00 42.31 H new ATOM 0 HZ3 LYS A 14 -5.814 12.726 -17.121 1.00 42.31 H new ATOM 243 N GLY A 15 0.656 8.595 -15.270 1.00 24.05 N ATOM 244 CA GLY A 15 1.922 8.108 -14.753 1.00 62.13 C ATOM 245 C GLY A 15 3.112 8.708 -15.476 1.00 23.35 C ATOM 246 O GLY A 15 4.075 8.008 -15.788 1.00 74.04 O ATOM 0 H GLY A 15 0.323 8.118 -16.108 1.00 24.05 H new ATOM 0 HA2 GLY A 15 1.991 8.341 -13.690 1.00 62.13 H new ATOM 0 HA3 GLY A 15 1.955 7.022 -14.844 1.00 62.13 H new ATOM 250 N GLY A 16 3.047 10.009 -15.743 1.00 35.51 N ATOM 251 CA GLY A 16 4.133 10.680 -16.433 1.00 35.12 C ATOM 252 C GLY A 16 3.951 10.681 -17.938 1.00 15.24 C ATOM 253 O GLY A 16 3.397 9.738 -18.503 1.00 45.34 O ATOM 0 H GLY A 16 2.262 10.610 -15.494 1.00 35.51 H new ATOM 0 HA2 GLY A 16 4.205 11.708 -16.078 1.00 35.12 H new ATOM 0 HA3 GLY A 16 5.075 10.191 -16.184 1.00 35.12 H new TER 257 GLY A 16