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+ -164:sc= -0.077 (180deg=-0.632) 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= -0.255 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.158 -2.801 1.317 1.00 53.42 N ATOM 2 CA VAL A 1 1.743 -1.557 0.831 1.00 43.03 C ATOM 3 C VAL A 1 0.970 -1.016 -0.367 1.00 32.44 C ATOM 4 O VAL A 1 0.405 -1.780 -1.150 1.00 0.44 O ATOM 5 CB VAL A 1 3.218 -1.750 0.431 1.00 41.25 C ATOM 6 CG1 VAL A 1 3.856 -0.414 0.083 1.00 4.41 C ATOM 7 CG2 VAL A 1 3.986 -2.443 1.546 1.00 41.12 C ATOM 0 H1 VAL A 1 1.517 -3.004 2.272 1.00 53.42 H new ATOM 0 H2 VAL A 1 0.123 -2.708 1.349 1.00 53.42 H new ATOM 0 H3 VAL A 1 1.416 -3.579 0.677 1.00 53.42 H new ATOM 0 HA VAL A 1 1.686 -0.840 1.650 1.00 43.03 H new ATOM 0 HB VAL A 1 3.256 -2.385 -0.454 1.00 41.25 H new ATOM 0 HG11 VAL A 1 4.898 -0.570 -0.197 1.00 4.41 H new ATOM 0 HG12 VAL A 1 3.320 0.039 -0.751 1.00 4.41 H new ATOM 0 HG13 VAL A 1 3.808 0.248 0.947 1.00 4.41 H new ATOM 0 HG21 VAL A 1 5.026 -2.571 1.246 1.00 41.12 H new ATOM 0 HG22 VAL A 1 3.941 -1.836 2.450 1.00 41.12 H new ATOM 0 HG23 VAL A 1 3.542 -3.419 1.742 1.00 41.12 H new ATOM 17 N ALA A 2 0.949 0.305 -0.503 1.00 12.42 N ATOM 18 CA ALA A 2 0.247 0.949 -1.606 1.00 73.34 C ATOM 19 C ALA A 2 1.162 1.120 -2.814 1.00 2.52 C ATOM 20 O ALA A 2 1.661 2.215 -3.075 1.00 41.15 O ATOM 21 CB ALA A 2 -0.307 2.295 -1.166 1.00 14.51 C ATOM 0 H ALA A 2 1.410 0.951 0.137 1.00 12.42 H new ATOM 0 HA ALA A 2 -0.583 0.306 -1.900 1.00 73.34 H new ATOM 0 HB1 ALA A 2 -0.829 2.764 -2.000 1.00 14.51 H new ATOM 0 HB2 ALA A 2 -1.002 2.150 -0.339 1.00 14.51 H new ATOM 0 HB3 ALA A 2 0.512 2.937 -0.843 1.00 14.51 H new ATOM 27 N ARG A 3 1.379 0.033 -3.546 1.00 22.55 N ATOM 28 CA ARG A 3 2.237 0.063 -4.724 1.00 54.13 C ATOM 29 C ARG A 3 1.408 0.233 -5.995 1.00 25.04 C ATOM 30 O ARG A 3 1.859 0.841 -6.965 1.00 13.13 O ATOM 31 CB ARG A 3 3.066 -1.219 -4.811 1.00 62.32 C ATOM 32 CG ARG A 3 2.229 -2.488 -4.813 1.00 55.41 C ATOM 33 CD ARG A 3 2.294 -3.196 -6.157 1.00 32.31 C ATOM 34 NE ARG A 3 3.620 -3.748 -6.421 1.00 30.22 N ATOM 35 CZ ARG A 3 3.866 -4.649 -7.365 1.00 64.31 C ATOM 36 NH1 ARG A 3 2.882 -5.097 -8.132 1.00 33.44 N ATOM 37 NH2 ARG A 3 5.100 -5.104 -7.545 1.00 1.34 N ATOM 0 H ARG A 3 0.972 -0.880 -3.344 1.00 22.55 H new ATOM 0 HA ARG A 3 2.909 0.916 -4.631 1.00 54.13 H new ATOM 0 HB2 ARG A 3 3.669 -1.190 -5.719 1.00 62.32 H new ATOM 0 HB3 ARG A 3 3.758 -1.252 -3.969 1.00 62.32 H new ATOM 0 HG2 ARG A 3 2.582 -3.159 -4.030 1.00 55.41 H new ATOM 0 HG3 ARG A 3 1.193 -2.242 -4.580 1.00 55.41 H new ATOM 0 HD2 ARG A 3 1.556 -3.998 -6.180 1.00 32.31 H new ATOM 0 HD3 ARG A 3 2.029 -2.496 -6.949 1.00 32.31 H new ATOM 0 HE ARG A 3 4.400 -3.424 -5.849 1.00 30.22 H new ATOM 0 HH11 ARG A 3 1.932 -4.750 -7.998 1.00 33.44 H new ATOM 0 HH12 ARG A 3 3.074 -5.789 -8.856 1.00 33.44 H new ATOM 0 HH21 ARG A 3 5.861 -4.762 -6.958 1.00 1.34 H new ATOM 0 HH22 ARG A 3 5.288 -5.796 -8.270 1.00 1.34 H new ATOM 51 N GLY A 4 0.195 -0.310 -5.981 1.00 13.00 N ATOM 52 CA GLY A 4 -0.676 -0.208 -7.137 1.00 74.22 C ATOM 53 C GLY A 4 -1.544 1.034 -7.102 1.00 43.51 C ATOM 54 O GLY A 4 -2.674 0.997 -6.616 1.00 21.12 O ATOM 0 H GLY A 4 -0.200 -0.819 -5.190 1.00 13.00 H new ATOM 0 HA2 GLY A 4 -0.071 -0.199 -8.044 1.00 74.22 H new ATOM 0 HA3 GLY A 4 -1.313 -1.091 -7.187 1.00 74.22 H new ATOM 58 N TRP A 5 -1.014 2.138 -7.617 1.00 1.11 N ATOM 59 CA TRP A 5 -1.747 3.399 -7.641 1.00 34.53 C ATOM 60 C TRP A 5 -2.396 3.626 -9.002 1.00 24.41 C ATOM 61 O TRP A 5 -2.906 4.710 -9.285 1.00 33.52 O ATOM 62 CB TRP A 5 -0.813 4.562 -7.306 1.00 40.45 C ATOM 63 CG TRP A 5 -0.770 4.889 -5.844 1.00 54.03 C ATOM 64 CD1 TRP A 5 -0.079 4.220 -4.875 1.00 35.21 C ATOM 65 CD2 TRP A 5 -1.449 5.965 -5.186 1.00 64.35 C ATOM 66 NE1 TRP A 5 -0.287 4.815 -3.654 1.00 34.32 N ATOM 67 CE2 TRP A 5 -1.123 5.888 -3.818 1.00 62.31 C ATOM 68 CE3 TRP A 5 -2.297 6.987 -5.620 1.00 74.51 C ATOM 69 CZ2 TRP A 5 -1.618 6.793 -2.883 1.00 60.13 C ATOM 70 CZ3 TRP A 5 -2.788 7.884 -4.691 1.00 33.00 C ATOM 71 CH2 TRP A 5 -2.447 7.783 -3.336 1.00 11.23 C ATOM 0 H TRP A 5 -0.080 2.186 -8.023 1.00 1.11 H new ATOM 0 HA TRP A 5 -2.534 3.347 -6.889 1.00 34.53 H new ATOM 0 HB2 TRP A 5 0.194 4.319 -7.646 1.00 40.45 H new ATOM 0 HB3 TRP A 5 -1.132 5.445 -7.859 1.00 40.45 H new ATOM 0 HD1 TRP A 5 0.540 3.351 -5.043 1.00 35.21 H new ATOM 0 HE1 TRP A 5 0.116 4.508 -2.769 1.00 34.32 H new ATOM 0 HE3 TRP A 5 -2.564 7.074 -6.663 1.00 74.51 H new ATOM 0 HZ2 TRP A 5 -1.357 6.716 -1.838 1.00 60.13 H new ATOM 0 HZ3 TRP A 5 -3.446 8.677 -5.015 1.00 33.00 H new ATOM 0 HH2 TRP A 5 -2.846 8.501 -2.635 1.00 11.23 H new ATOM 82 N LYS A 6 -2.372 2.597 -9.843 1.00 31.25 N ATOM 83 CA LYS A 6 -2.959 2.683 -11.175 1.00 1.15 C ATOM 84 C LYS A 6 -4.147 1.735 -11.308 1.00 45.23 C ATOM 85 O LYS A 6 -4.542 1.374 -12.417 1.00 32.44 O ATOM 86 CB LYS A 6 -1.909 2.356 -12.239 1.00 32.31 C ATOM 87 CG LYS A 6 -0.575 3.043 -12.009 1.00 5.34 C ATOM 88 CD LYS A 6 0.458 2.082 -11.445 1.00 21.14 C ATOM 89 CE LYS A 6 1.875 2.554 -11.733 1.00 20.23 C ATOM 90 NZ LYS A 6 2.886 1.514 -11.394 1.00 13.04 N ATOM 0 H LYS A 6 -1.952 1.693 -9.625 1.00 31.25 H new ATOM 0 HA LYS A 6 -3.313 3.703 -11.324 1.00 1.15 H new ATOM 0 HB2 LYS A 6 -1.753 1.278 -12.264 1.00 32.31 H new ATOM 0 HB3 LYS A 6 -2.293 2.645 -13.217 1.00 32.31 H new ATOM 0 HG2 LYS A 6 -0.212 3.458 -12.949 1.00 5.34 H new ATOM 0 HG3 LYS A 6 -0.709 3.879 -11.322 1.00 5.34 H new ATOM 0 HD2 LYS A 6 0.317 1.986 -10.368 1.00 21.14 H new ATOM 0 HD3 LYS A 6 0.309 1.092 -11.876 1.00 21.14 H new ATOM 0 HE2 LYS A 6 1.963 2.816 -12.787 1.00 20.23 H new ATOM 0 HE3 LYS A 6 2.079 3.459 -11.161 1.00 20.23 H new ATOM 0 HZ1 LYS A 6 3.839 1.874 -11.605 1.00 13.04 H new ATOM 0 HZ2 LYS A 6 2.819 1.282 -10.382 1.00 13.04 H new ATOM 0 HZ3 LYS A 6 2.707 0.659 -11.958 1.00 13.04 H new ATOM 104 N ARG A 7 -4.711 1.338 -10.173 1.00 34.21 N ATOM 105 CA ARG A 7 -5.854 0.432 -10.164 1.00 51.41 C ATOM 106 C ARG A 7 -7.056 1.081 -9.484 1.00 32.34 C ATOM 107 O ARG A 7 -7.981 1.551 -10.147 1.00 65.23 O ATOM 108 CB ARG A 7 -5.493 -0.872 -9.451 1.00 1.11 C ATOM 109 CG ARG A 7 -4.718 -1.847 -10.321 1.00 64.42 C ATOM 110 CD ARG A 7 -3.219 -1.733 -10.088 1.00 33.25 C ATOM 111 NE ARG A 7 -2.520 -2.976 -10.401 1.00 31.40 N ATOM 112 CZ ARG A 7 -2.507 -4.035 -9.598 1.00 53.24 C ATOM 113 NH1 ARG A 7 -3.153 -4.001 -8.441 1.00 22.02 N ATOM 114 NH2 ARG A 7 -1.848 -5.130 -9.954 1.00 32.44 N ATOM 0 H ARG A 7 -4.396 1.629 -9.248 1.00 34.21 H new ATOM 0 HA ARG A 7 -6.119 0.211 -11.198 1.00 51.41 H new ATOM 0 HB2 ARG A 7 -4.902 -0.640 -8.565 1.00 1.11 H new ATOM 0 HB3 ARG A 7 -6.408 -1.354 -9.107 1.00 1.11 H new ATOM 0 HG2 ARG A 7 -5.044 -2.865 -10.108 1.00 64.42 H new ATOM 0 HG3 ARG A 7 -4.940 -1.655 -11.371 1.00 64.42 H new ATOM 0 HD2 ARG A 7 -2.817 -0.927 -10.702 1.00 33.25 H new ATOM 0 HD3 ARG A 7 -3.033 -1.465 -9.048 1.00 33.25 H new ATOM 0 HE ARG A 7 -2.014 -3.035 -11.285 1.00 31.40 H new ATOM 0 HH11 ARG A 7 -3.662 -3.161 -8.165 1.00 22.02 H new ATOM 0 HH12 ARG A 7 -3.142 -4.815 -7.826 1.00 22.02 H new ATOM 0 HH21 ARG A 7 -1.351 -5.159 -10.844 1.00 32.44 H new ATOM 0 HH22 ARG A 7 -1.838 -5.942 -9.337 1.00 32.44 H new ATOM 128 N LYS A 8 -7.037 1.102 -8.155 1.00 72.22 N ATOM 129 CA LYS A 8 -8.124 1.692 -7.383 1.00 50.42 C ATOM 130 C LYS A 8 -7.738 3.076 -6.871 1.00 51.41 C ATOM 131 O LYS A 8 -8.426 3.650 -6.026 1.00 31.23 O ATOM 132 CB LYS A 8 -8.493 0.786 -6.207 1.00 4.04 C ATOM 133 CG LYS A 8 -7.334 0.512 -5.264 1.00 2.14 C ATOM 134 CD LYS A 8 -7.502 1.248 -3.945 1.00 31.12 C ATOM 135 CE LYS A 8 -8.571 0.600 -3.078 1.00 10.42 C ATOM 136 NZ LYS A 8 -8.035 -0.554 -2.306 1.00 25.52 N ATOM 0 H LYS A 8 -6.280 0.717 -7.590 1.00 72.22 H new ATOM 0 HA LYS A 8 -8.988 1.794 -8.039 1.00 50.42 H new ATOM 0 HB2 LYS A 8 -9.306 1.246 -5.646 1.00 4.04 H new ATOM 0 HB3 LYS A 8 -8.868 -0.162 -6.593 1.00 4.04 H new ATOM 0 HG2 LYS A 8 -7.261 -0.559 -5.077 1.00 2.14 H new ATOM 0 HG3 LYS A 8 -6.400 0.817 -5.736 1.00 2.14 H new ATOM 0 HD2 LYS A 8 -6.553 1.257 -3.409 1.00 31.12 H new ATOM 0 HD3 LYS A 8 -7.769 2.287 -4.138 1.00 31.12 H new ATOM 0 HE2 LYS A 8 -8.978 1.340 -2.389 1.00 10.42 H new ATOM 0 HE3 LYS A 8 -9.395 0.264 -3.708 1.00 10.42 H new ATOM 0 HZ1 LYS A 8 -8.794 -0.968 -1.728 1.00 25.52 H new ATOM 0 HZ2 LYS A 8 -7.670 -1.272 -2.964 1.00 25.52 H new ATOM 0 HZ3 LYS A 8 -7.266 -0.230 -1.686 1.00 25.52 H new ATOM 150 N CYS A 9 -6.636 3.608 -7.389 1.00 31.53 N ATOM 151 CA CYS A 9 -6.159 4.925 -6.984 1.00 14.32 C ATOM 152 C CYS A 9 -6.086 5.868 -8.180 1.00 53.34 C ATOM 153 O CYS A 9 -5.025 6.087 -8.766 1.00 14.14 O ATOM 154 CB CYS A 9 -4.785 4.812 -6.323 1.00 43.52 C ATOM 155 SG CYS A 9 -4.662 3.491 -5.095 1.00 13.42 S ATOM 0 H CYS A 9 -6.056 3.147 -8.090 1.00 31.53 H new ATOM 0 HA CYS A 9 -6.867 5.335 -6.264 1.00 14.32 H new ATOM 0 HB2 CYS A 9 -4.035 4.646 -7.096 1.00 43.52 H new ATOM 0 HB3 CYS A 9 -4.545 5.761 -5.845 1.00 43.52 H new ATOM 0 HG CYS A 9 -4.015 2.485 -5.603 1.00 13.42 H new ATOM 161 N PRO A 10 -7.240 6.440 -8.555 1.00 75.31 N ATOM 162 CA PRO A 10 -7.334 7.368 -9.686 1.00 62.41 C ATOM 163 C PRO A 10 -6.653 8.702 -9.399 1.00 71.42 C ATOM 164 O PRO A 10 -6.518 9.545 -10.287 1.00 13.14 O ATOM 165 CB PRO A 10 -8.842 7.563 -9.861 1.00 2.53 C ATOM 166 CG PRO A 10 -9.419 7.282 -8.516 1.00 44.23 C ATOM 167 CD PRO A 10 -8.543 6.224 -7.903 1.00 52.42 C ATOM 0 HA PRO A 10 -6.835 6.980 -10.574 1.00 62.41 H new ATOM 0 HB2 PRO A 10 -9.075 8.576 -10.188 1.00 2.53 H new ATOM 0 HB3 PRO A 10 -9.244 6.885 -10.614 1.00 2.53 H new ATOM 0 HG2 PRO A 10 -9.432 8.182 -7.901 1.00 44.23 H new ATOM 0 HG3 PRO A 10 -10.450 6.936 -8.598 1.00 44.23 H new ATOM 0 HD2 PRO A 10 -8.474 6.336 -6.821 1.00 52.42 H new ATOM 0 HD3 PRO A 10 -8.928 5.223 -8.096 1.00 52.42 H new ATOM 175 N LEU A 11 -6.225 8.887 -8.155 1.00 71.52 N ATOM 176 CA LEU A 11 -5.557 10.119 -7.751 1.00 71.12 C ATOM 177 C LEU A 11 -4.272 10.327 -8.546 1.00 50.50 C ATOM 178 O LEU A 11 -3.985 11.434 -9.003 1.00 51.11 O ATOM 179 CB LEU A 11 -5.245 10.086 -6.254 1.00 64.41 C ATOM 180 CG LEU A 11 -5.909 11.170 -5.406 1.00 10.25 C ATOM 181 CD1 LEU A 11 -5.673 10.909 -3.926 1.00 14.41 C ATOM 182 CD2 LEU A 11 -5.389 12.546 -5.796 1.00 11.01 C ATOM 0 H LEU A 11 -6.329 8.199 -7.409 1.00 71.52 H new ATOM 0 HA LEU A 11 -6.229 10.952 -7.957 1.00 71.12 H new ATOM 0 HB2 LEU A 11 -5.543 9.113 -5.863 1.00 64.41 H new ATOM 0 HB3 LEU A 11 -4.165 10.164 -6.127 1.00 64.41 H new ATOM 0 HG LEU A 11 -6.983 11.143 -5.592 1.00 10.25 H new ATOM 0 HD11 LEU A 11 -6.153 11.691 -3.338 1.00 14.41 H new ATOM 0 HD12 LEU A 11 -6.095 9.941 -3.656 1.00 14.41 H new ATOM 0 HD13 LEU A 11 -4.602 10.908 -3.723 1.00 14.41 H new ATOM 0 HD21 LEU A 11 -5.873 13.305 -5.182 1.00 11.01 H new ATOM 0 HD22 LEU A 11 -4.311 12.585 -5.639 1.00 11.01 H new ATOM 0 HD23 LEU A 11 -5.610 12.734 -6.847 1.00 11.01 H new ATOM 194 N PHE A 12 -3.503 9.256 -8.709 1.00 3.21 N ATOM 195 CA PHE A 12 -2.248 9.321 -9.450 1.00 14.31 C ATOM 196 C PHE A 12 -2.451 8.894 -10.901 1.00 20.44 C ATOM 197 O PHE A 12 -1.523 8.422 -11.556 1.00 24.14 O ATOM 198 CB PHE A 12 -1.193 8.433 -8.787 1.00 53.32 C ATOM 199 CG PHE A 12 -0.452 9.114 -7.672 1.00 61.41 C ATOM 200 CD1 PHE A 12 -1.139 9.780 -6.671 1.00 13.22 C ATOM 201 CD2 PHE A 12 0.933 9.087 -7.626 1.00 33.04 C ATOM 202 CE1 PHE A 12 -0.460 10.407 -5.643 1.00 11.11 C ATOM 203 CE2 PHE A 12 1.617 9.712 -6.600 1.00 62.52 C ATOM 204 CZ PHE A 12 0.920 10.373 -5.608 1.00 41.44 C ATOM 0 H PHE A 12 -3.726 8.332 -8.338 1.00 3.21 H new ATOM 0 HA PHE A 12 -1.901 10.354 -9.439 1.00 14.31 H new ATOM 0 HB2 PHE A 12 -1.676 7.537 -8.397 1.00 53.32 H new ATOM 0 HB3 PHE A 12 -0.478 8.107 -9.542 1.00 53.32 H new ATOM 0 HD1 PHE A 12 -2.218 9.810 -6.694 1.00 13.22 H new ATOM 0 HD2 PHE A 12 1.484 8.572 -8.400 1.00 33.04 H new ATOM 0 HE1 PHE A 12 -1.008 10.923 -4.868 1.00 11.11 H new ATOM 0 HE2 PHE A 12 2.696 9.683 -6.574 1.00 62.52 H new ATOM 0 HZ PHE A 12 1.453 10.862 -4.806 1.00 41.44 H new ATOM 214 N GLY A 13 -3.673 9.062 -11.396 1.00 34.11 N ATOM 215 CA GLY A 13 -3.977 8.688 -12.765 1.00 11.11 C ATOM 216 C GLY A 13 -3.136 9.445 -13.773 1.00 5.31 C ATOM 217 O GLY A 13 -2.026 9.028 -14.105 1.00 4.30 O ATOM 0 H GLY A 13 -4.458 9.450 -10.874 1.00 34.11 H new ATOM 0 HA2 GLY A 13 -3.814 7.618 -12.891 1.00 11.11 H new ATOM 0 HA3 GLY A 13 -5.032 8.875 -12.964 1.00 11.11 H new ATOM 221 N LYS A 14 -3.664 10.561 -14.263 1.00 53.23 N ATOM 222 CA LYS A 14 -2.955 11.379 -15.240 1.00 55.32 C ATOM 223 C LYS A 14 -1.793 12.121 -14.588 1.00 15.42 C ATOM 224 O LYS A 14 -1.994 13.105 -13.876 1.00 65.13 O ATOM 225 CB LYS A 14 -3.914 12.381 -15.889 1.00 21.40 C ATOM 226 CG LYS A 14 -4.159 12.120 -17.365 1.00 64.41 C ATOM 227 CD LYS A 14 -4.907 10.815 -17.584 1.00 43.44 C ATOM 228 CE LYS A 14 -5.570 10.776 -18.953 1.00 4.22 C ATOM 229 NZ LYS A 14 -4.601 11.066 -20.047 1.00 14.15 N ATOM 0 H LYS A 14 -4.582 10.920 -13.999 1.00 53.23 H new ATOM 0 HA LYS A 14 -2.555 10.717 -16.009 1.00 55.32 H new ATOM 0 HB2 LYS A 14 -4.867 12.354 -15.361 1.00 21.40 H new ATOM 0 HB3 LYS A 14 -3.512 13.387 -15.768 1.00 21.40 H new ATOM 0 HG2 LYS A 14 -4.731 12.944 -17.791 1.00 64.41 H new ATOM 0 HG3 LYS A 14 -3.206 12.087 -17.893 1.00 64.41 H new ATOM 0 HD2 LYS A 14 -4.216 9.978 -17.489 1.00 43.44 H new ATOM 0 HD3 LYS A 14 -5.663 10.693 -16.809 1.00 43.44 H new ATOM 0 HE2 LYS A 14 -6.015 9.794 -19.113 1.00 4.22 H new ATOM 0 HE3 LYS A 14 -6.382 11.503 -18.984 1.00 4.22 H new ATOM 0 HZ1 LYS A 14 -5.027 10.818 -20.963 1.00 14.15 H new ATOM 0 HZ2 LYS A 14 -4.362 12.078 -20.040 1.00 14.15 H new ATOM 0 HZ3 LYS A 14 -3.737 10.505 -19.903 1.00 14.15 H new ATOM 243 N GLY A 15 -0.578 11.644 -14.836 1.00 64.24 N ATOM 244 CA GLY A 15 0.598 12.275 -14.267 1.00 2.33 C ATOM 245 C GLY A 15 1.142 13.386 -15.143 1.00 14.52 C ATOM 246 O GLY A 15 1.793 14.309 -14.655 1.00 21.11 O ATOM 0 H GLY A 15 -0.387 10.831 -15.421 1.00 64.24 H new ATOM 0 HA2 GLY A 15 0.351 12.679 -13.285 1.00 2.33 H new ATOM 0 HA3 GLY A 15 1.373 11.523 -14.116 1.00 2.33 H new ATOM 250 N GLY A 16 0.874 13.298 -16.442 1.00 64.14 N ATOM 251 CA GLY A 16 1.350 14.309 -17.368 1.00 42.21 C ATOM 252 C GLY A 16 0.959 14.013 -18.802 1.00 72.42 C ATOM 253 O GLY A 16 1.149 12.897 -19.286 1.00 72.13 O ATOM 0 H GLY A 16 0.336 12.545 -16.870 1.00 64.14 H new ATOM 0 HA2 GLY A 16 0.949 15.280 -17.078 1.00 42.21 H new ATOM 0 HA3 GLY A 16 2.435 14.379 -17.298 1.00 42.21 H new TER 257 GLY A 16