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+ -153:sc= 0.903 (180deg=0.144) 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 43:sc= -0.431 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.644 -0.110 0.059 1.00 3.12 N ATOM 2 CA VAL A 1 2.417 -0.191 -1.175 1.00 33.33 C ATOM 3 C VAL A 1 3.378 0.985 -1.300 1.00 2.12 C ATOM 4 O VAL A 1 4.553 0.808 -1.621 1.00 51.31 O ATOM 5 CB VAL A 1 1.498 -0.223 -2.411 1.00 22.23 C ATOM 6 CG1 VAL A 1 2.323 -0.282 -3.688 1.00 12.15 C ATOM 7 CG2 VAL A 1 0.539 -1.401 -2.331 1.00 21.30 C ATOM 0 H1 VAL A 1 1.362 -1.066 0.356 1.00 3.12 H new ATOM 0 H2 VAL A 1 2.224 0.327 0.804 1.00 3.12 H new ATOM 0 H3 VAL A 1 0.794 0.467 -0.101 1.00 3.12 H new ATOM 0 HA VAL A 1 2.988 -1.119 -1.131 1.00 33.33 H new ATOM 0 HB VAL A 1 0.910 0.694 -2.429 1.00 22.23 H new ATOM 0 HG11 VAL A 1 1.657 -0.304 -4.551 1.00 12.15 H new ATOM 0 HG12 VAL A 1 2.965 0.597 -3.747 1.00 12.15 H new ATOM 0 HG13 VAL A 1 2.939 -1.181 -3.682 1.00 12.15 H new ATOM 0 HG21 VAL A 1 -0.103 -1.408 -3.212 1.00 21.30 H new ATOM 0 HG22 VAL A 1 1.107 -2.330 -2.288 1.00 21.30 H new ATOM 0 HG23 VAL A 1 -0.075 -1.310 -1.435 1.00 21.30 H new ATOM 17 N ALA A 2 2.871 2.186 -1.043 1.00 41.53 N ATOM 18 CA ALA A 2 3.686 3.393 -1.125 1.00 35.44 C ATOM 19 C ALA A 2 3.727 4.119 0.216 1.00 75.23 C ATOM 20 O ALA A 2 4.254 3.598 1.199 1.00 75.33 O ATOM 21 CB ALA A 2 3.154 4.316 -2.211 1.00 63.22 C ATOM 0 H ALA A 2 1.900 2.350 -0.776 1.00 41.53 H new ATOM 0 HA ALA A 2 4.704 3.098 -1.381 1.00 35.44 H new ATOM 0 HB1 ALA A 2 3.772 5.213 -2.261 1.00 63.22 H new ATOM 0 HB2 ALA A 2 3.182 3.802 -3.172 1.00 63.22 H new ATOM 0 HB3 ALA A 2 2.126 4.596 -1.979 1.00 63.22 H new ATOM 27 N ARG A 3 3.168 5.324 0.248 1.00 51.34 N ATOM 28 CA ARG A 3 3.143 6.123 1.467 1.00 32.53 C ATOM 29 C ARG A 3 1.711 6.481 1.853 1.00 34.43 C ATOM 30 O ARG A 3 1.391 6.620 3.033 1.00 2.41 O ATOM 31 CB ARG A 3 3.967 7.398 1.284 1.00 1.24 C ATOM 32 CG ARG A 3 3.520 8.248 0.106 1.00 4.33 C ATOM 33 CD ARG A 3 4.701 8.924 -0.573 1.00 24.31 C ATOM 34 NE ARG A 3 4.966 8.363 -1.895 1.00 50.54 N ATOM 35 CZ ARG A 3 5.691 8.979 -2.823 1.00 21.03 C ATOM 36 NH1 ARG A 3 6.222 10.168 -2.573 1.00 14.21 N ATOM 37 NH2 ARG A 3 5.887 8.405 -4.003 1.00 24.33 N ATOM 0 H ARG A 3 2.726 5.769 -0.557 1.00 51.34 H new ATOM 0 HA ARG A 3 3.580 5.529 2.270 1.00 32.53 H new ATOM 0 HB2 ARG A 3 3.906 7.994 2.195 1.00 1.24 H new ATOM 0 HB3 ARG A 3 5.014 7.128 1.149 1.00 1.24 H new ATOM 0 HG2 ARG A 3 2.993 7.624 -0.615 1.00 4.33 H new ATOM 0 HG3 ARG A 3 2.814 9.005 0.449 1.00 4.33 H new ATOM 0 HD2 ARG A 3 4.504 9.992 -0.665 1.00 24.31 H new ATOM 0 HD3 ARG A 3 5.588 8.817 0.051 1.00 24.31 H new ATOM 0 HE ARG A 3 4.573 7.449 -2.118 1.00 50.54 H new ATOM 0 HH11 ARG A 3 6.074 10.612 -1.667 1.00 14.21 H new ATOM 0 HH12 ARG A 3 6.778 10.639 -3.287 1.00 14.21 H new ATOM 0 HH21 ARG A 3 5.481 7.490 -4.199 1.00 24.33 H new ATOM 0 HH22 ARG A 3 6.444 8.879 -4.714 1.00 24.33 H new ATOM 51 N GLY A 4 0.852 6.628 0.849 1.00 14.21 N ATOM 52 CA GLY A 4 -0.536 6.969 1.104 1.00 42.33 C ATOM 53 C GLY A 4 -1.305 5.830 1.742 1.00 74.24 C ATOM 54 O GLY A 4 -2.460 5.996 2.136 1.00 62.35 O ATOM 0 H GLY A 4 1.092 6.517 -0.136 1.00 14.21 H new ATOM 0 HA2 GLY A 4 -0.579 7.842 1.755 1.00 42.33 H new ATOM 0 HA3 GLY A 4 -1.017 7.247 0.166 1.00 42.33 H new ATOM 58 N TRP A 5 -0.666 4.670 1.842 1.00 13.01 N ATOM 59 CA TRP A 5 -1.299 3.498 2.435 1.00 35.43 C ATOM 60 C TRP A 5 -1.339 3.610 3.955 1.00 4.42 C ATOM 61 O TRP A 5 -1.182 2.617 4.666 1.00 4.40 O ATOM 62 CB TRP A 5 -0.553 2.227 2.025 1.00 52.02 C ATOM 63 CG TRP A 5 -0.994 1.681 0.700 1.00 4.13 C ATOM 64 CD1 TRP A 5 -1.633 0.496 0.474 1.00 30.31 C ATOM 65 CD2 TRP A 5 -0.825 2.299 -0.580 1.00 53.21 C ATOM 66 NE1 TRP A 5 -1.872 0.340 -0.870 1.00 32.30 N ATOM 67 CE2 TRP A 5 -1.387 1.433 -1.538 1.00 72.31 C ATOM 68 CE3 TRP A 5 -0.257 3.501 -1.010 1.00 64.05 C ATOM 69 CZ2 TRP A 5 -1.394 1.731 -2.898 1.00 14.30 C ATOM 70 CZ3 TRP A 5 -0.264 3.796 -2.361 1.00 33.35 C ATOM 71 CH2 TRP A 5 -0.831 2.915 -3.291 1.00 63.53 C ATOM 0 H TRP A 5 0.290 4.516 1.520 1.00 13.01 H new ATOM 0 HA TRP A 5 -2.323 3.445 2.066 1.00 35.43 H new ATOM 0 HB2 TRP A 5 0.516 2.438 1.985 1.00 52.02 H new ATOM 0 HB3 TRP A 5 -0.699 1.465 2.791 1.00 52.02 H new ATOM 0 HD1 TRP A 5 -1.910 -0.214 1.239 1.00 30.31 H new ATOM 0 HE1 TRP A 5 -2.336 -0.460 -1.301 1.00 32.30 H new ATOM 0 HE3 TRP A 5 0.180 4.188 -0.300 1.00 64.05 H new ATOM 0 HZ2 TRP A 5 -1.828 1.052 -3.617 1.00 14.30 H new ATOM 0 HZ3 TRP A 5 0.175 4.721 -2.705 1.00 33.35 H new ATOM 0 HH2 TRP A 5 -0.824 3.175 -4.339 1.00 63.53 H new ATOM 82 N LYS A 6 -1.549 4.826 4.449 1.00 70.02 N ATOM 83 CA LYS A 6 -1.610 5.069 5.885 1.00 15.01 C ATOM 84 C LYS A 6 -2.935 5.720 6.271 1.00 41.24 C ATOM 85 O LYS A 6 -3.887 5.037 6.648 1.00 25.44 O ATOM 86 CB LYS A 6 -0.446 5.960 6.323 1.00 64.23 C ATOM 87 CG LYS A 6 0.910 5.281 6.224 1.00 54.22 C ATOM 88 CD LYS A 6 0.915 3.940 6.939 1.00 43.34 C ATOM 89 CE LYS A 6 2.236 3.695 7.652 1.00 32.14 C ATOM 90 NZ LYS A 6 2.219 4.221 9.045 1.00 5.04 N ATOM 0 H LYS A 6 -1.680 5.659 3.875 1.00 70.02 H new ATOM 0 HA LYS A 6 -1.535 4.108 6.394 1.00 15.01 H new ATOM 0 HB2 LYS A 6 -0.438 6.861 5.709 1.00 64.23 H new ATOM 0 HB3 LYS A 6 -0.610 6.278 7.353 1.00 64.23 H new ATOM 0 HG2 LYS A 6 1.170 5.136 5.175 1.00 54.22 H new ATOM 0 HG3 LYS A 6 1.674 5.927 6.656 1.00 54.22 H new ATOM 0 HD2 LYS A 6 0.099 3.908 7.661 1.00 43.34 H new ATOM 0 HD3 LYS A 6 0.735 3.142 6.219 1.00 43.34 H new ATOM 0 HE2 LYS A 6 2.446 2.626 7.670 1.00 32.14 H new ATOM 0 HE3 LYS A 6 3.043 4.169 7.094 1.00 32.14 H new ATOM 0 HZ1 LYS A 6 3.137 4.035 9.498 1.00 5.04 H new ATOM 0 HZ2 LYS A 6 2.043 5.246 9.027 1.00 5.04 H new ATOM 0 HZ3 LYS A 6 1.465 3.750 9.585 1.00 5.04 H new ATOM 104 N ARG A 7 -2.989 7.044 6.171 1.00 11.32 N ATOM 105 CA ARG A 7 -4.197 7.787 6.509 1.00 12.13 C ATOM 106 C ARG A 7 -5.162 7.822 5.328 1.00 52.42 C ATOM 107 O ARG A 7 -6.159 7.100 5.304 1.00 0.03 O ATOM 108 CB ARG A 7 -3.843 9.213 6.935 1.00 44.13 C ATOM 109 CG ARG A 7 -3.831 9.414 8.441 1.00 5.12 C ATOM 110 CD ARG A 7 -2.705 10.343 8.870 1.00 33.44 C ATOM 111 NE ARG A 7 -3.191 11.448 9.691 1.00 12.35 N ATOM 112 CZ ARG A 7 -3.527 11.322 10.970 1.00 20.34 C ATOM 113 NH1 ARG A 7 -3.430 10.144 11.571 1.00 25.14 N ATOM 114 NH2 ARG A 7 -3.961 12.375 11.651 1.00 22.11 N ATOM 0 H ARG A 7 -2.210 7.624 5.859 1.00 11.32 H new ATOM 0 HA ARG A 7 -4.685 7.278 7.340 1.00 12.13 H new ATOM 0 HB2 ARG A 7 -2.862 9.470 6.535 1.00 44.13 H new ATOM 0 HB3 ARG A 7 -4.559 9.904 6.491 1.00 44.13 H new ATOM 0 HG2 ARG A 7 -4.787 9.827 8.762 1.00 5.12 H new ATOM 0 HG3 ARG A 7 -3.718 8.450 8.937 1.00 5.12 H new ATOM 0 HD2 ARG A 7 -1.960 9.776 9.429 1.00 33.44 H new ATOM 0 HD3 ARG A 7 -2.206 10.740 7.986 1.00 33.44 H new ATOM 0 HE ARG A 7 -3.277 12.368 9.259 1.00 12.35 H new ATOM 0 HH11 ARG A 7 -3.097 9.332 11.051 1.00 25.14 H new ATOM 0 HH12 ARG A 7 -3.689 10.050 12.553 1.00 25.14 H new ATOM 0 HH21 ARG A 7 -4.037 13.283 11.192 1.00 22.11 H new ATOM 0 HH22 ARG A 7 -4.219 12.276 12.633 1.00 22.11 H new ATOM 128 N LYS A 8 -4.860 8.668 4.349 1.00 64.04 N ATOM 129 CA LYS A 8 -5.698 8.798 3.163 1.00 15.21 C ATOM 130 C LYS A 8 -5.489 7.621 2.216 1.00 30.23 C ATOM 131 O LYS A 8 -5.193 7.807 1.035 1.00 23.25 O ATOM 132 CB LYS A 8 -5.392 10.110 2.438 1.00 43.42 C ATOM 133 CG LYS A 8 -3.917 10.306 2.131 1.00 22.44 C ATOM 134 CD LYS A 8 -3.623 10.105 0.654 1.00 2.02 C ATOM 135 CE LYS A 8 -2.465 10.977 0.193 1.00 22.40 C ATOM 136 NZ LYS A 8 -2.268 10.904 -1.281 1.00 75.43 N ATOM 0 H LYS A 8 -4.040 9.275 4.354 1.00 64.04 H new ATOM 0 HA LYS A 8 -6.740 8.802 3.484 1.00 15.21 H new ATOM 0 HB2 LYS A 8 -5.956 10.140 1.506 1.00 43.42 H new ATOM 0 HB3 LYS A 8 -5.741 10.943 3.049 1.00 43.42 H new ATOM 0 HG2 LYS A 8 -3.612 11.309 2.430 1.00 22.44 H new ATOM 0 HG3 LYS A 8 -3.326 9.604 2.719 1.00 22.44 H new ATOM 0 HD2 LYS A 8 -3.387 9.057 0.468 1.00 2.02 H new ATOM 0 HD3 LYS A 8 -4.512 10.340 0.069 1.00 2.02 H new ATOM 0 HE2 LYS A 8 -2.651 12.011 0.484 1.00 22.40 H new ATOM 0 HE3 LYS A 8 -1.551 10.663 0.697 1.00 22.40 H new ATOM 0 HZ1 LYS A 8 -1.470 11.512 -1.555 1.00 75.43 H new ATOM 0 HZ2 LYS A 8 -2.065 9.922 -1.556 1.00 75.43 H new ATOM 0 HZ3 LYS A 8 -3.131 11.227 -1.763 1.00 75.43 H new ATOM 150 N CYS A 9 -5.646 6.411 2.741 1.00 31.41 N ATOM 151 CA CYS A 9 -5.475 5.203 1.942 1.00 62.42 C ATOM 152 C CYS A 9 -6.106 5.369 0.563 1.00 31.43 C ATOM 153 O CYS A 9 -7.323 5.280 0.396 1.00 64.22 O ATOM 154 CB CYS A 9 -6.093 4.001 2.658 1.00 64.44 C ATOM 155 SG CYS A 9 -5.209 3.497 4.152 1.00 4.35 S ATOM 0 H CYS A 9 -5.891 6.240 3.716 1.00 31.41 H new ATOM 0 HA CYS A 9 -4.406 5.030 1.814 1.00 62.42 H new ATOM 0 HB2 CYS A 9 -7.124 4.239 2.921 1.00 64.44 H new ATOM 0 HB3 CYS A 9 -6.127 3.158 1.967 1.00 64.44 H new ATOM 0 HG CYS A 9 -4.883 4.551 4.840 1.00 4.35 H new ATOM 161 N PRO A 10 -5.261 5.617 -0.449 1.00 14.25 N ATOM 162 CA PRO A 10 -5.714 5.802 -1.830 1.00 53.34 C ATOM 163 C PRO A 10 -6.230 4.508 -2.450 1.00 31.23 C ATOM 164 O PRO A 10 -7.223 4.509 -3.178 1.00 72.25 O ATOM 165 CB PRO A 10 -4.453 6.277 -2.556 1.00 71.04 C ATOM 166 CG PRO A 10 -3.325 5.736 -1.748 1.00 65.24 C ATOM 167 CD PRO A 10 -3.799 5.736 -0.322 1.00 12.34 C ATOM 0 HA PRO A 10 -6.549 6.500 -1.895 1.00 53.34 H new ATOM 0 HB2 PRO A 10 -4.421 5.904 -3.580 1.00 71.04 H new ATOM 0 HB3 PRO A 10 -4.414 7.365 -2.612 1.00 71.04 H new ATOM 0 HG2 PRO A 10 -3.061 4.729 -2.071 1.00 65.24 H new ATOM 0 HG3 PRO A 10 -2.433 6.352 -1.863 1.00 65.24 H new ATOM 0 HD2 PRO A 10 -3.376 4.905 0.242 1.00 12.34 H new ATOM 0 HD3 PRO A 10 -3.514 6.651 0.196 1.00 12.34 H new ATOM 175 N LEU A 11 -5.551 3.405 -2.155 1.00 64.04 N ATOM 176 CA LEU A 11 -5.941 2.102 -2.683 1.00 41.22 C ATOM 177 C LEU A 11 -6.199 1.112 -1.552 1.00 73.34 C ATOM 178 O LEU A 11 -7.092 0.268 -1.644 1.00 5.24 O ATOM 179 CB LEU A 11 -4.854 1.560 -3.613 1.00 3.12 C ATOM 180 CG LEU A 11 -4.931 0.068 -3.937 1.00 60.24 C ATOM 181 CD1 LEU A 11 -4.345 -0.210 -5.313 1.00 60.20 C ATOM 182 CD2 LEU A 11 -4.210 -0.747 -2.874 1.00 20.41 C ATOM 0 H LEU A 11 -4.728 3.387 -1.553 1.00 64.04 H new ATOM 0 HA LEU A 11 -6.864 2.228 -3.249 1.00 41.22 H new ATOM 0 HB2 LEU A 11 -4.894 2.117 -4.549 1.00 3.12 H new ATOM 0 HB3 LEU A 11 -3.883 1.764 -3.162 1.00 3.12 H new ATOM 0 HG LEU A 11 -5.980 -0.229 -3.944 1.00 60.24 H new ATOM 0 HD11 LEU A 11 -4.408 -1.277 -5.527 1.00 60.20 H new ATOM 0 HD12 LEU A 11 -4.905 0.345 -6.066 1.00 60.20 H new ATOM 0 HD13 LEU A 11 -3.301 0.103 -5.334 1.00 60.20 H new ATOM 0 HD21 LEU A 11 -4.275 -1.807 -3.121 1.00 20.41 H new ATOM 0 HD22 LEU A 11 -3.163 -0.448 -2.834 1.00 20.41 H new ATOM 0 HD23 LEU A 11 -4.675 -0.572 -1.904 1.00 20.41 H new ATOM 194 N PHE A 12 -5.414 1.221 -0.486 1.00 13.32 N ATOM 195 CA PHE A 12 -5.559 0.336 0.664 1.00 2.21 C ATOM 196 C PHE A 12 -7.029 0.032 0.935 1.00 73.45 C ATOM 197 O PHE A 12 -7.452 -1.123 0.898 1.00 33.13 O ATOM 198 CB PHE A 12 -4.921 0.967 1.903 1.00 3.05 C ATOM 199 CG PHE A 12 -4.072 0.012 2.693 1.00 61.33 C ATOM 200 CD1 PHE A 12 -4.375 -1.340 2.726 1.00 12.14 C ATOM 201 CD2 PHE A 12 -2.970 0.465 3.400 1.00 15.15 C ATOM 202 CE1 PHE A 12 -3.596 -2.221 3.453 1.00 52.35 C ATOM 203 CE2 PHE A 12 -2.187 -0.411 4.128 1.00 34.21 C ATOM 204 CZ PHE A 12 -2.500 -1.756 4.153 1.00 33.12 C ATOM 0 H PHE A 12 -4.671 1.913 -0.394 1.00 13.32 H new ATOM 0 HA PHE A 12 -5.049 -0.600 0.437 1.00 2.21 H new ATOM 0 HB2 PHE A 12 -4.309 1.815 1.595 1.00 3.05 H new ATOM 0 HB3 PHE A 12 -5.708 1.359 2.547 1.00 3.05 H new ATOM 0 HD1 PHE A 12 -5.229 -1.709 2.178 1.00 12.14 H new ATOM 0 HD2 PHE A 12 -2.720 1.515 3.382 1.00 15.15 H new ATOM 0 HE1 PHE A 12 -3.844 -3.272 3.473 1.00 52.35 H new ATOM 0 HE2 PHE A 12 -1.332 -0.044 4.676 1.00 34.21 H new ATOM 0 HZ PHE A 12 -1.889 -2.443 4.719 1.00 33.12 H new ATOM 214 N GLY A 13 -7.804 1.077 1.207 1.00 50.55 N ATOM 215 CA GLY A 13 -9.218 0.902 1.480 1.00 34.20 C ATOM 216 C GLY A 13 -10.096 1.662 0.505 1.00 31.34 C ATOM 217 O GLY A 13 -11.133 2.205 0.886 1.00 53.34 O ATOM 0 H GLY A 13 -7.477 2.043 1.243 1.00 50.55 H new ATOM 0 HA2 GLY A 13 -9.465 -0.159 1.435 1.00 34.20 H new ATOM 0 HA3 GLY A 13 -9.433 1.237 2.495 1.00 34.20 H new ATOM 221 N LYS A 14 -9.680 1.702 -0.756 1.00 21.12 N ATOM 222 CA LYS A 14 -10.434 2.401 -1.789 1.00 55.11 C ATOM 223 C LYS A 14 -11.932 2.158 -1.628 1.00 3.43 C ATOM 224 O LYS A 14 -12.740 3.071 -1.792 1.00 44.52 O ATOM 225 CB LYS A 14 -9.980 1.946 -3.178 1.00 20.24 C ATOM 226 CG LYS A 14 -10.081 0.445 -3.389 1.00 2.11 C ATOM 227 CD LYS A 14 -11.337 0.073 -4.159 1.00 10.43 C ATOM 228 CE LYS A 14 -11.038 -0.168 -5.630 1.00 40.13 C ATOM 229 NZ LYS A 14 -12.215 0.132 -6.492 1.00 1.30 N ATOM 0 H LYS A 14 -8.824 1.258 -1.087 1.00 21.12 H new ATOM 0 HA LYS A 14 -10.243 3.469 -1.683 1.00 55.11 H new ATOM 0 HB2 LYS A 14 -10.583 2.452 -3.932 1.00 20.24 H new ATOM 0 HB3 LYS A 14 -8.947 2.258 -3.334 1.00 20.24 H new ATOM 0 HG2 LYS A 14 -9.203 0.093 -3.931 1.00 2.11 H new ATOM 0 HG3 LYS A 14 -10.083 -0.060 -2.423 1.00 2.11 H new ATOM 0 HD2 LYS A 14 -11.779 -0.824 -3.725 1.00 10.43 H new ATOM 0 HD3 LYS A 14 -12.074 0.870 -4.062 1.00 10.43 H new ATOM 0 HE2 LYS A 14 -10.196 0.453 -5.936 1.00 40.13 H new ATOM 0 HE3 LYS A 14 -10.737 -1.206 -5.774 1.00 40.13 H new ATOM 0 HZ1 LYS A 14 -11.970 -0.045 -7.487 1.00 1.30 H new ATOM 0 HZ2 LYS A 14 -13.011 -0.478 -6.217 1.00 1.30 H new ATOM 0 HZ3 LYS A 14 -12.487 1.129 -6.374 1.00 1.30 H new ATOM 243 N GLY A 15 -12.295 0.921 -1.303 1.00 43.11 N ATOM 244 CA GLY A 15 -13.694 0.582 -1.124 1.00 32.45 C ATOM 245 C GLY A 15 -14.043 0.310 0.326 1.00 15.03 C ATOM 246 O GLY A 15 -14.466 -0.792 0.674 1.00 1.35 O ATOM 0 H GLY A 15 -11.645 0.148 -1.161 1.00 43.11 H new ATOM 0 HA2 GLY A 15 -14.313 1.398 -1.497 1.00 32.45 H new ATOM 0 HA3 GLY A 15 -13.931 -0.297 -1.723 1.00 32.45 H new ATOM 250 N GLY A 16 -13.865 1.318 1.175 1.00 33.23 N ATOM 251 CA GLY A 16 -14.168 1.161 2.586 1.00 3.50 C ATOM 252 C GLY A 16 -14.087 2.471 3.345 1.00 42.11 C ATOM 253 O GLY A 16 -13.012 2.873 3.790 1.00 22.20 O ATOM 0 H GLY A 16 -13.517 2.240 0.911 1.00 33.23 H new ATOM 0 HA2 GLY A 16 -15.168 0.742 2.695 1.00 3.50 H new ATOM 0 HA3 GLY A 16 -13.473 0.446 3.026 1.00 3.50 H new TER 257 GLY A 16