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+ -155:sc= -0.169 (180deg=-1.45) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0145) USER MOD Single : A 9 CYS SG : rot 65:sc= -0.0469 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.304 0.455 -1.976 1.00 1.22 N ATOM 2 CA VAL A 1 2.168 1.786 -1.395 1.00 24.40 C ATOM 3 C VAL A 1 3.173 2.757 -2.005 1.00 23.44 C ATOM 4 O VAL A 1 2.920 3.958 -2.087 1.00 34.11 O ATOM 5 CB VAL A 1 2.364 1.754 0.133 1.00 75.35 C ATOM 6 CG1 VAL A 1 2.099 3.126 0.734 1.00 63.25 C ATOM 7 CG2 VAL A 1 1.461 0.704 0.763 1.00 71.23 C ATOM 0 H1 VAL A 1 1.402 -0.055 -1.890 1.00 1.22 H new ATOM 0 H2 VAL A 1 2.560 0.539 -2.981 1.00 1.22 H new ATOM 0 H3 VAL A 1 3.047 -0.069 -1.472 1.00 1.22 H new ATOM 0 HA VAL A 1 1.157 2.127 -1.617 1.00 24.40 H new ATOM 0 HB VAL A 1 3.399 1.485 0.344 1.00 75.35 H new ATOM 0 HG11 VAL A 1 2.242 3.084 1.814 1.00 63.25 H new ATOM 0 HG12 VAL A 1 2.790 3.851 0.304 1.00 63.25 H new ATOM 0 HG13 VAL A 1 1.075 3.427 0.515 1.00 63.25 H new ATOM 0 HG21 VAL A 1 1.612 0.695 1.842 1.00 71.23 H new ATOM 0 HG22 VAL A 1 0.420 0.941 0.544 1.00 71.23 H new ATOM 0 HG23 VAL A 1 1.703 -0.277 0.354 1.00 71.23 H new ATOM 17 N ALA A 2 4.315 2.227 -2.431 1.00 42.31 N ATOM 18 CA ALA A 2 5.358 3.047 -3.036 1.00 21.41 C ATOM 19 C ALA A 2 5.501 2.743 -4.523 1.00 41.25 C ATOM 20 O ALA A 2 6.513 2.195 -4.960 1.00 44.43 O ATOM 21 CB ALA A 2 6.683 2.827 -2.321 1.00 10.22 C ATOM 0 H ALA A 2 4.541 1.234 -2.368 1.00 42.31 H new ATOM 0 HA ALA A 2 5.070 4.093 -2.931 1.00 21.41 H new ATOM 0 HB1 ALA A 2 7.453 3.445 -2.783 1.00 10.22 H new ATOM 0 HB2 ALA A 2 6.580 3.100 -1.271 1.00 10.22 H new ATOM 0 HB3 ALA A 2 6.967 1.777 -2.396 1.00 10.22 H new ATOM 27 N ARG A 3 4.481 3.102 -5.297 1.00 23.24 N ATOM 28 CA ARG A 3 4.493 2.866 -6.735 1.00 62.22 C ATOM 29 C ARG A 3 5.525 3.755 -7.423 1.00 60.34 C ATOM 30 O ARG A 3 6.025 3.425 -8.498 1.00 3.10 O ATOM 31 CB ARG A 3 3.106 3.123 -7.327 1.00 44.43 C ATOM 32 CG ARG A 3 1.972 2.558 -6.489 1.00 74.31 C ATOM 33 CD ARG A 3 2.180 1.080 -6.194 1.00 53.44 C ATOM 34 NE ARG A 3 1.081 0.518 -5.414 1.00 1.04 N ATOM 35 CZ ARG A 3 1.110 -0.694 -4.872 1.00 30.44 C ATOM 36 NH1 ARG A 3 2.176 -1.467 -5.024 1.00 64.25 N ATOM 37 NH2 ARG A 3 0.071 -1.136 -4.174 1.00 52.34 N ATOM 0 H ARG A 3 3.636 3.557 -4.951 1.00 23.24 H new ATOM 0 HA ARG A 3 4.765 1.824 -6.905 1.00 62.22 H new ATOM 0 HB2 ARG A 3 2.962 4.197 -7.440 1.00 44.43 H new ATOM 0 HB3 ARG A 3 3.060 2.688 -8.325 1.00 44.43 H new ATOM 0 HG2 ARG A 3 1.900 3.111 -5.552 1.00 74.31 H new ATOM 0 HG3 ARG A 3 1.027 2.696 -7.014 1.00 74.31 H new ATOM 0 HD2 ARG A 3 2.276 0.533 -7.132 1.00 53.44 H new ATOM 0 HD3 ARG A 3 3.115 0.947 -5.651 1.00 53.44 H new ATOM 0 HE ARG A 3 0.246 1.087 -5.278 1.00 1.04 H new ATOM 0 HH11 ARG A 3 2.977 -1.131 -5.559 1.00 64.25 H new ATOM 0 HH12 ARG A 3 2.195 -2.397 -4.606 1.00 64.25 H new ATOM 0 HH21 ARG A 3 -0.751 -0.544 -4.053 1.00 52.34 H new ATOM 0 HH22 ARG A 3 0.095 -2.067 -3.758 1.00 52.34 H new ATOM 51 N GLY A 4 5.838 4.884 -6.796 1.00 3.31 N ATOM 52 CA GLY A 4 6.808 5.803 -7.363 1.00 11.43 C ATOM 53 C GLY A 4 8.115 5.814 -6.595 1.00 33.05 C ATOM 54 O GLY A 4 8.726 6.867 -6.411 1.00 72.32 O ATOM 0 H GLY A 4 5.438 5.179 -5.906 1.00 3.31 H new ATOM 0 HA2 GLY A 4 7.002 5.528 -8.400 1.00 11.43 H new ATOM 0 HA3 GLY A 4 6.388 6.809 -7.373 1.00 11.43 H new ATOM 58 N TRP A 5 8.543 4.641 -6.143 1.00 70.23 N ATOM 59 CA TRP A 5 9.785 4.520 -5.389 1.00 23.34 C ATOM 60 C TRP A 5 10.959 5.089 -6.178 1.00 22.32 C ATOM 61 O TRP A 5 11.962 5.510 -5.601 1.00 50.42 O ATOM 62 CB TRP A 5 10.052 3.055 -5.038 1.00 64.02 C ATOM 63 CG TRP A 5 10.472 2.852 -3.614 1.00 1.13 C ATOM 64 CD1 TRP A 5 11.376 3.597 -2.911 1.00 54.44 C ATOM 65 CD2 TRP A 5 10.006 1.836 -2.719 1.00 71.25 C ATOM 66 NE1 TRP A 5 11.499 3.106 -1.634 1.00 62.43 N ATOM 67 CE2 TRP A 5 10.669 2.026 -1.491 1.00 72.31 C ATOM 68 CE3 TRP A 5 9.092 0.785 -2.836 1.00 13.30 C ATOM 69 CZ2 TRP A 5 10.446 1.203 -0.390 1.00 71.13 C ATOM 70 CZ3 TRP A 5 8.872 -0.031 -1.743 1.00 12.44 C ATOM 71 CH2 TRP A 5 9.546 0.182 -0.533 1.00 13.14 C ATOM 0 H TRP A 5 8.048 3.760 -6.285 1.00 70.23 H new ATOM 0 HA TRP A 5 9.679 5.093 -4.468 1.00 23.34 H new ATOM 0 HB2 TRP A 5 9.151 2.473 -5.230 1.00 64.02 H new ATOM 0 HB3 TRP A 5 10.828 2.667 -5.697 1.00 64.02 H new ATOM 0 HD1 TRP A 5 11.915 4.447 -3.302 1.00 54.44 H new ATOM 0 HE1 TRP A 5 12.109 3.484 -0.910 1.00 62.43 H new ATOM 0 HE3 TRP A 5 8.567 0.614 -3.764 1.00 13.30 H new ATOM 0 HZ2 TRP A 5 10.965 1.365 0.543 1.00 71.13 H new ATOM 0 HZ3 TRP A 5 8.169 -0.847 -1.822 1.00 12.44 H new ATOM 0 HH2 TRP A 5 9.351 -0.473 0.304 1.00 13.14 H new ATOM 82 N LYS A 6 10.829 5.098 -7.500 1.00 53.10 N ATOM 83 CA LYS A 6 11.878 5.617 -8.369 1.00 61.13 C ATOM 84 C LYS A 6 11.538 7.023 -8.853 1.00 61.02 C ATOM 85 O LYS A 6 12.425 7.798 -9.210 1.00 44.11 O ATOM 86 CB LYS A 6 12.081 4.688 -9.569 1.00 13.43 C ATOM 87 CG LYS A 6 12.133 3.217 -9.197 1.00 22.34 C ATOM 88 CD LYS A 6 10.933 2.461 -9.742 1.00 22.44 C ATOM 89 CE LYS A 6 11.069 2.200 -11.234 1.00 43.30 C ATOM 90 NZ LYS A 6 9.814 2.520 -11.969 1.00 64.14 N ATOM 0 H LYS A 6 10.006 4.751 -7.994 1.00 53.10 H new ATOM 0 HA LYS A 6 12.802 5.664 -7.793 1.00 61.13 H new ATOM 0 HB2 LYS A 6 11.271 4.846 -10.281 1.00 13.43 H new ATOM 0 HB3 LYS A 6 13.008 4.959 -10.075 1.00 13.43 H new ATOM 0 HG2 LYS A 6 13.050 2.775 -9.586 1.00 22.34 H new ATOM 0 HG3 LYS A 6 12.166 3.116 -8.112 1.00 22.34 H new ATOM 0 HD2 LYS A 6 10.828 1.513 -9.214 1.00 22.44 H new ATOM 0 HD3 LYS A 6 10.025 3.033 -9.553 1.00 22.44 H new ATOM 0 HE2 LYS A 6 11.887 2.799 -11.634 1.00 43.30 H new ATOM 0 HE3 LYS A 6 11.329 1.154 -11.398 1.00 43.30 H new ATOM 0 HZ1 LYS A 6 9.947 2.329 -12.983 1.00 64.14 H new ATOM 0 HZ2 LYS A 6 9.038 1.931 -11.604 1.00 64.14 H new ATOM 0 HZ3 LYS A 6 9.579 3.524 -11.834 1.00 64.14 H new ATOM 104 N ARG A 7 10.249 7.346 -8.861 1.00 72.51 N ATOM 105 CA ARG A 7 9.792 8.658 -9.301 1.00 5.51 C ATOM 106 C ARG A 7 9.989 9.699 -8.202 1.00 21.41 C ATOM 107 O ARG A 7 10.127 10.891 -8.477 1.00 60.44 O ATOM 108 CB ARG A 7 8.318 8.601 -9.705 1.00 62.51 C ATOM 109 CG ARG A 7 8.098 8.157 -11.142 1.00 53.11 C ATOM 110 CD ARG A 7 6.880 7.255 -11.266 1.00 53.22 C ATOM 111 NE ARG A 7 6.495 7.043 -12.659 1.00 43.01 N ATOM 112 CZ ARG A 7 5.857 7.949 -13.391 1.00 74.23 C ATOM 113 NH1 ARG A 7 5.533 9.122 -12.866 1.00 12.30 N ATOM 114 NH2 ARG A 7 5.541 7.682 -14.652 1.00 71.32 N ATOM 0 H ARG A 7 9.502 6.716 -8.567 1.00 72.51 H new ATOM 0 HA ARG A 7 10.387 8.950 -10.166 1.00 5.51 H new ATOM 0 HB2 ARG A 7 7.793 7.917 -9.038 1.00 62.51 H new ATOM 0 HB3 ARG A 7 7.873 9.586 -9.566 1.00 62.51 H new ATOM 0 HG2 ARG A 7 7.970 9.032 -11.779 1.00 53.11 H new ATOM 0 HG3 ARG A 7 8.982 7.628 -11.500 1.00 53.11 H new ATOM 0 HD2 ARG A 7 7.092 6.294 -10.798 1.00 53.22 H new ATOM 0 HD3 ARG A 7 6.045 7.697 -10.722 1.00 53.22 H new ATOM 0 HE ARG A 7 6.729 6.150 -13.093 1.00 43.01 H new ATOM 0 HH11 ARG A 7 5.774 9.331 -11.897 1.00 12.30 H new ATOM 0 HH12 ARG A 7 5.043 9.816 -13.431 1.00 12.30 H new ATOM 0 HH21 ARG A 7 5.788 6.780 -15.060 1.00 71.32 H new ATOM 0 HH22 ARG A 7 5.051 8.378 -15.213 1.00 71.32 H new ATOM 128 N LYS A 8 10.000 9.239 -6.955 1.00 43.41 N ATOM 129 CA LYS A 8 10.181 10.128 -5.813 1.00 54.34 C ATOM 130 C LYS A 8 11.577 9.975 -5.219 1.00 60.44 C ATOM 131 O LYS A 8 12.439 10.834 -5.407 1.00 24.25 O ATOM 132 CB LYS A 8 9.125 9.839 -4.744 1.00 21.22 C ATOM 133 CG LYS A 8 7.707 10.158 -5.186 1.00 5.00 C ATOM 134 CD LYS A 8 7.568 11.612 -5.604 1.00 40.14 C ATOM 135 CE LYS A 8 6.358 12.266 -4.954 1.00 61.53 C ATOM 136 NZ LYS A 8 5.085 11.619 -5.377 1.00 53.41 N ATOM 0 H LYS A 8 9.886 8.256 -6.710 1.00 43.41 H new ATOM 0 HA LYS A 8 10.065 11.154 -6.161 1.00 54.34 H new ATOM 0 HB2 LYS A 8 9.181 8.787 -4.465 1.00 21.22 H new ATOM 0 HB3 LYS A 8 9.357 10.419 -3.850 1.00 21.22 H new ATOM 0 HG2 LYS A 8 7.430 9.511 -6.018 1.00 5.00 H new ATOM 0 HG3 LYS A 8 7.014 9.945 -4.372 1.00 5.00 H new ATOM 0 HD2 LYS A 8 8.470 12.159 -5.329 1.00 40.14 H new ATOM 0 HD3 LYS A 8 7.477 11.673 -6.688 1.00 40.14 H new ATOM 0 HE2 LYS A 8 6.452 12.208 -3.870 1.00 61.53 H new ATOM 0 HE3 LYS A 8 6.332 13.324 -5.216 1.00 61.53 H new ATOM 0 HZ1 LYS A 8 4.280 12.155 -4.995 1.00 53.41 H new ATOM 0 HZ2 LYS A 8 5.031 11.606 -6.415 1.00 53.41 H new ATOM 0 HZ3 LYS A 8 5.055 10.644 -5.017 1.00 53.41 H new ATOM 150 N CYS A 9 11.793 8.876 -4.505 1.00 23.11 N ATOM 151 CA CYS A 9 13.086 8.610 -3.884 1.00 61.30 C ATOM 152 C CYS A 9 13.731 7.364 -4.483 1.00 52.13 C ATOM 153 O CYS A 9 13.746 6.291 -3.879 1.00 42.44 O ATOM 154 CB CYS A 9 12.924 8.438 -2.373 1.00 51.10 C ATOM 155 SG CYS A 9 11.608 7.293 -1.897 1.00 52.12 S ATOM 0 H CYS A 9 11.090 8.155 -4.342 1.00 23.11 H new ATOM 0 HA CYS A 9 13.736 9.463 -4.078 1.00 61.30 H new ATOM 0 HB2 CYS A 9 13.867 8.085 -1.955 1.00 51.10 H new ATOM 0 HB3 CYS A 9 12.723 9.412 -1.927 1.00 51.10 H new ATOM 0 HG CYS A 9 11.905 6.096 -2.308 1.00 52.12 H new ATOM 161 N PRO A 10 14.275 7.507 -5.701 1.00 20.21 N ATOM 162 CA PRO A 10 14.930 6.403 -6.409 1.00 42.34 C ATOM 163 C PRO A 10 16.249 5.999 -5.760 1.00 2.24 C ATOM 164 O PRO A 10 16.824 4.962 -6.092 1.00 25.24 O ATOM 165 CB PRO A 10 15.176 6.976 -7.808 1.00 21.25 C ATOM 166 CG PRO A 10 15.240 8.451 -7.607 1.00 73.42 C ATOM 167 CD PRO A 10 14.293 8.757 -6.480 1.00 22.55 C ATOM 0 HA PRO A 10 14.322 5.498 -6.404 1.00 42.34 H new ATOM 0 HB2 PRO A 10 16.103 6.594 -8.235 1.00 21.25 H new ATOM 0 HB3 PRO A 10 14.374 6.704 -8.494 1.00 21.25 H new ATOM 0 HG2 PRO A 10 16.254 8.768 -7.362 1.00 73.42 H new ATOM 0 HG3 PRO A 10 14.951 8.981 -8.514 1.00 73.42 H new ATOM 0 HD2 PRO A 10 14.640 9.599 -5.881 1.00 22.55 H new ATOM 0 HD3 PRO A 10 13.300 9.015 -6.848 1.00 22.55 H new ATOM 175 N LEU A 11 16.724 6.824 -4.832 1.00 75.34 N ATOM 176 CA LEU A 11 17.976 6.552 -4.135 1.00 34.31 C ATOM 177 C LEU A 11 17.977 5.145 -3.546 1.00 75.54 C ATOM 178 O LEU A 11 19.009 4.474 -3.514 1.00 52.34 O ATOM 179 CB LEU A 11 18.198 7.581 -3.025 1.00 43.04 C ATOM 180 CG LEU A 11 18.232 9.045 -3.465 1.00 42.11 C ATOM 181 CD1 LEU A 11 18.292 9.965 -2.255 1.00 64.53 C ATOM 182 CD2 LEU A 11 19.415 9.297 -4.388 1.00 42.44 C ATOM 0 H LEU A 11 16.261 7.686 -4.545 1.00 75.34 H new ATOM 0 HA LEU A 11 18.789 6.624 -4.858 1.00 34.31 H new ATOM 0 HB2 LEU A 11 17.407 7.463 -2.284 1.00 43.04 H new ATOM 0 HB3 LEU A 11 19.139 7.350 -2.526 1.00 43.04 H new ATOM 0 HG LEU A 11 17.316 9.261 -4.014 1.00 42.11 H new ATOM 0 HD11 LEU A 11 18.316 11.003 -2.588 1.00 64.53 H new ATOM 0 HD12 LEU A 11 17.413 9.804 -1.631 1.00 64.53 H new ATOM 0 HD13 LEU A 11 19.191 9.749 -1.678 1.00 64.53 H new ATOM 0 HD21 LEU A 11 19.423 10.344 -4.691 1.00 42.44 H new ATOM 0 HD22 LEU A 11 20.342 9.064 -3.864 1.00 42.44 H new ATOM 0 HD23 LEU A 11 19.329 8.664 -5.271 1.00 42.44 H new ATOM 194 N PHE A 12 16.812 4.702 -3.083 1.00 63.32 N ATOM 195 CA PHE A 12 16.678 3.373 -2.497 1.00 2.32 C ATOM 196 C PHE A 12 15.665 2.536 -3.272 1.00 50.31 C ATOM 197 O PHE A 12 15.152 1.538 -2.768 1.00 1.33 O ATOM 198 CB PHE A 12 16.253 3.480 -1.031 1.00 1.32 C ATOM 199 CG PHE A 12 16.562 2.250 -0.226 1.00 15.31 C ATOM 200 CD1 PHE A 12 17.872 1.851 -0.022 1.00 23.35 C ATOM 201 CD2 PHE A 12 15.541 1.493 0.326 1.00 55.32 C ATOM 202 CE1 PHE A 12 18.160 0.719 0.719 1.00 53.50 C ATOM 203 CE2 PHE A 12 15.822 0.362 1.068 1.00 72.45 C ATOM 204 CZ PHE A 12 17.133 -0.027 1.263 1.00 11.43 C ATOM 0 H PHE A 12 15.948 5.244 -3.102 1.00 63.32 H new ATOM 0 HA PHE A 12 17.648 2.879 -2.552 1.00 2.32 H new ATOM 0 HB2 PHE A 12 16.753 4.336 -0.578 1.00 1.32 H new ATOM 0 HB3 PHE A 12 15.182 3.675 -0.985 1.00 1.32 H new ATOM 0 HD1 PHE A 12 18.679 2.430 -0.446 1.00 23.35 H new ATOM 0 HD2 PHE A 12 14.514 1.791 0.174 1.00 55.32 H new ATOM 0 HE1 PHE A 12 19.186 0.419 0.872 1.00 53.50 H new ATOM 0 HE2 PHE A 12 15.017 -0.218 1.495 1.00 72.45 H new ATOM 0 HZ PHE A 12 17.354 -0.913 1.840 1.00 11.43 H new ATOM 214 N GLY A 13 15.381 2.952 -4.503 1.00 30.11 N ATOM 215 CA GLY A 13 14.430 2.231 -5.328 1.00 60.44 C ATOM 216 C GLY A 13 15.107 1.381 -6.386 1.00 3.43 C ATOM 217 O GLY A 13 14.503 1.045 -7.404 1.00 35.41 O ATOM 0 H GLY A 13 15.793 3.775 -4.943 1.00 30.11 H new ATOM 0 HA2 GLY A 13 13.814 1.594 -4.694 1.00 60.44 H new ATOM 0 HA3 GLY A 13 13.761 2.942 -5.812 1.00 60.44 H new ATOM 221 N LYS A 14 16.367 1.035 -6.146 1.00 64.12 N ATOM 222 CA LYS A 14 17.129 0.220 -7.085 1.00 41.13 C ATOM 223 C LYS A 14 17.025 -1.260 -6.730 1.00 41.24 C ATOM 224 O LYS A 14 17.115 -2.125 -7.601 1.00 3.52 O ATOM 225 CB LYS A 14 18.597 0.652 -7.093 1.00 24.35 C ATOM 226 CG LYS A 14 19.241 0.643 -5.717 1.00 13.23 C ATOM 227 CD LYS A 14 20.413 -0.322 -5.655 1.00 74.00 C ATOM 228 CE LYS A 14 21.537 0.221 -4.787 1.00 42.51 C ATOM 229 NZ LYS A 14 22.658 -0.750 -4.659 1.00 62.40 N ATOM 0 H LYS A 14 16.883 1.306 -5.309 1.00 64.12 H new ATOM 0 HA LYS A 14 16.708 0.367 -8.080 1.00 41.13 H new ATOM 0 HB2 LYS A 14 19.158 -0.010 -7.752 1.00 24.35 H new ATOM 0 HB3 LYS A 14 18.670 1.655 -7.512 1.00 24.35 H new ATOM 0 HG2 LYS A 14 19.582 1.648 -5.468 1.00 13.23 H new ATOM 0 HG3 LYS A 14 18.499 0.364 -4.969 1.00 13.23 H new ATOM 0 HD2 LYS A 14 20.076 -1.280 -5.259 1.00 74.00 H new ATOM 0 HD3 LYS A 14 20.787 -0.507 -6.662 1.00 74.00 H new ATOM 0 HE2 LYS A 14 21.910 1.151 -5.216 1.00 42.51 H new ATOM 0 HE3 LYS A 14 21.148 0.459 -3.797 1.00 42.51 H new ATOM 0 HZ1 LYS A 14 23.404 -0.342 -4.060 1.00 62.40 H new ATOM 0 HZ2 LYS A 14 22.308 -1.629 -4.227 1.00 62.40 H new ATOM 0 HZ3 LYS A 14 23.046 -0.958 -5.601 1.00 62.40 H new ATOM 243 N GLY A 15 16.833 -1.544 -5.446 1.00 3.23 N ATOM 244 CA GLY A 15 16.719 -2.920 -4.999 1.00 53.13 C ATOM 245 C GLY A 15 15.296 -3.438 -5.076 1.00 1.31 C ATOM 246 O GLY A 15 15.069 -4.607 -5.383 1.00 64.22 O ATOM 0 H GLY A 15 16.754 -0.846 -4.707 1.00 3.23 H new ATOM 0 HA2 GLY A 15 17.366 -3.552 -5.608 1.00 53.13 H new ATOM 0 HA3 GLY A 15 17.075 -2.996 -3.972 1.00 53.13 H new ATOM 250 N GLY A 16 14.334 -2.564 -4.794 1.00 31.53 N ATOM 251 CA GLY A 16 12.938 -2.959 -4.836 1.00 21.31 C ATOM 252 C GLY A 16 12.126 -2.339 -3.717 1.00 11.24 C ATOM 253 O GLY A 16 11.674 -1.199 -3.827 1.00 21.12 O ATOM 0 H GLY A 16 14.497 -1.590 -4.537 1.00 31.53 H new ATOM 0 HA2 GLY A 16 12.510 -2.668 -5.795 1.00 21.31 H new ATOM 0 HA3 GLY A 16 12.869 -4.045 -4.772 1.00 21.31 H new TER 257 GLY A 16