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+ -174:sc= -1.37 (180deg=-1.43) 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 1.555 0.316 -1.985 1.00 41.54 N ATOM 2 CA VAL A 1 1.669 1.653 -1.414 1.00 42.13 C ATOM 3 C VAL A 1 2.823 2.424 -2.045 1.00 64.32 C ATOM 4 O VAL A 1 2.786 3.650 -2.139 1.00 44.11 O ATOM 5 CB VAL A 1 1.877 1.596 0.111 1.00 64.12 C ATOM 6 CG1 VAL A 1 0.589 1.192 0.811 1.00 13.50 C ATOM 7 CG2 VAL A 1 3.006 0.637 0.458 1.00 34.54 C ATOM 0 H1 VAL A 1 0.703 -0.149 -1.613 1.00 41.54 H new ATOM 0 H2 VAL A 1 1.487 0.385 -3.020 1.00 41.54 H new ATOM 0 H3 VAL A 1 2.394 -0.243 -1.730 1.00 41.54 H new ATOM 0 HA VAL A 1 0.733 2.169 -1.627 1.00 42.13 H new ATOM 0 HB VAL A 1 2.155 2.590 0.460 1.00 64.12 H new ATOM 0 HG11 VAL A 1 0.756 1.157 1.888 1.00 13.50 H new ATOM 0 HG12 VAL A 1 -0.190 1.921 0.588 1.00 13.50 H new ATOM 0 HG13 VAL A 1 0.277 0.208 0.460 1.00 13.50 H new ATOM 0 HG21 VAL A 1 3.140 0.609 1.539 1.00 34.54 H new ATOM 0 HG22 VAL A 1 2.759 -0.361 0.097 1.00 34.54 H new ATOM 0 HG23 VAL A 1 3.929 0.976 -0.013 1.00 34.54 H new ATOM 17 N ALA A 2 3.848 1.695 -2.477 1.00 12.50 N ATOM 18 CA ALA A 2 5.012 2.310 -3.102 1.00 5.22 C ATOM 19 C ALA A 2 5.209 1.795 -4.524 1.00 13.24 C ATOM 20 O ALA A 2 6.126 1.019 -4.792 1.00 31.04 O ATOM 21 CB ALA A 2 6.258 2.050 -2.267 1.00 70.15 C ATOM 0 H ALA A 2 3.895 0.679 -2.405 1.00 12.50 H new ATOM 0 HA ALA A 2 4.840 3.385 -3.154 1.00 5.22 H new ATOM 0 HB1 ALA A 2 7.120 2.515 -2.745 1.00 70.15 H new ATOM 0 HB2 ALA A 2 6.124 2.473 -1.271 1.00 70.15 H new ATOM 0 HB3 ALA A 2 6.424 0.976 -2.186 1.00 70.15 H new ATOM 27 N ARG A 3 4.341 2.231 -5.431 1.00 1.50 N ATOM 28 CA ARG A 3 4.418 1.813 -6.825 1.00 64.53 C ATOM 29 C ARG A 3 5.583 2.497 -7.535 1.00 21.12 C ATOM 30 O ARG A 3 6.616 1.880 -7.791 1.00 60.23 O ATOM 31 CB ARG A 3 3.109 2.131 -7.549 1.00 33.41 C ATOM 32 CG ARG A 3 2.185 0.932 -7.692 1.00 63.30 C ATOM 33 CD ARG A 3 1.480 0.612 -6.383 1.00 44.01 C ATOM 34 NE ARG A 3 1.866 -0.695 -5.859 1.00 31.50 N ATOM 35 CZ ARG A 3 1.172 -1.351 -4.935 1.00 11.51 C ATOM 36 NH1 ARG A 3 0.063 -0.823 -4.436 1.00 53.31 N ATOM 37 NH2 ARG A 3 1.587 -2.537 -4.508 1.00 50.55 N ATOM 0 H ARG A 3 3.576 2.874 -5.225 1.00 1.50 H new ATOM 0 HA ARG A 3 4.584 0.736 -6.845 1.00 64.53 H new ATOM 0 HB2 ARG A 3 2.586 2.919 -7.007 1.00 33.41 H new ATOM 0 HB3 ARG A 3 3.338 2.523 -8.540 1.00 33.41 H new ATOM 0 HG2 ARG A 3 1.444 1.133 -8.466 1.00 63.30 H new ATOM 0 HG3 ARG A 3 2.760 0.065 -8.018 1.00 63.30 H new ATOM 0 HD2 ARG A 3 1.715 1.381 -5.647 1.00 44.01 H new ATOM 0 HD3 ARG A 3 0.401 0.637 -6.537 1.00 44.01 H new ATOM 0 HE ARG A 3 2.715 -1.128 -6.222 1.00 31.50 H new ATOM 0 HH11 ARG A 3 -0.259 0.089 -4.761 1.00 53.31 H new ATOM 0 HH12 ARG A 3 -0.468 -1.328 -3.727 1.00 53.31 H new ATOM 0 HH21 ARG A 3 2.440 -2.946 -4.889 1.00 50.55 H new ATOM 0 HH22 ARG A 3 1.053 -3.039 -3.799 1.00 50.55 H new ATOM 51 N GLY A 4 5.408 3.777 -7.850 1.00 20.21 N ATOM 52 CA GLY A 4 6.452 4.524 -8.527 1.00 72.53 C ATOM 53 C GLY A 4 7.254 5.391 -7.577 1.00 61.44 C ATOM 54 O GLY A 4 7.703 6.476 -7.946 1.00 65.55 O ATOM 0 H GLY A 4 4.562 4.310 -7.648 1.00 20.21 H new ATOM 0 HA2 GLY A 4 7.122 3.829 -9.033 1.00 72.53 H new ATOM 0 HA3 GLY A 4 6.004 5.152 -9.297 1.00 72.53 H new ATOM 58 N TRP A 5 7.433 4.913 -6.351 1.00 71.22 N ATOM 59 CA TRP A 5 8.185 5.653 -5.345 1.00 2.42 C ATOM 60 C TRP A 5 9.546 6.078 -5.885 1.00 62.45 C ATOM 61 O TRP A 5 10.094 7.104 -5.482 1.00 33.12 O ATOM 62 CB TRP A 5 8.365 4.804 -4.086 1.00 1.15 C ATOM 63 CG TRP A 5 9.553 3.892 -4.149 1.00 35.30 C ATOM 64 CD1 TRP A 5 10.766 4.083 -3.552 1.00 32.00 C ATOM 65 CD2 TRP A 5 9.640 2.646 -4.850 1.00 51.51 C ATOM 66 NE1 TRP A 5 11.602 3.032 -3.840 1.00 23.52 N ATOM 67 CE2 TRP A 5 10.935 2.137 -4.634 1.00 21.43 C ATOM 68 CE3 TRP A 5 8.750 1.912 -5.638 1.00 32.53 C ATOM 69 CZ2 TRP A 5 11.359 0.927 -5.178 1.00 42.31 C ATOM 70 CZ3 TRP A 5 9.172 0.712 -6.177 1.00 64.35 C ATOM 71 CH2 TRP A 5 10.467 0.229 -5.945 1.00 61.33 C ATOM 0 H TRP A 5 7.068 4.016 -6.030 1.00 71.22 H new ATOM 0 HA TRP A 5 7.619 6.550 -5.092 1.00 2.42 H new ATOM 0 HB2 TRP A 5 8.467 5.463 -3.224 1.00 1.15 H new ATOM 0 HB3 TRP A 5 7.466 4.208 -3.927 1.00 1.15 H new ATOM 0 HD1 TRP A 5 11.029 4.935 -2.943 1.00 32.00 H new ATOM 0 HE1 TRP A 5 12.564 2.934 -3.515 1.00 23.52 H new ATOM 0 HE3 TRP A 5 7.750 2.276 -5.822 1.00 32.53 H new ATOM 0 HZ2 TRP A 5 12.357 0.553 -5.001 1.00 42.31 H new ATOM 0 HZ3 TRP A 5 8.492 0.136 -6.788 1.00 64.35 H new ATOM 0 HH2 TRP A 5 10.767 -0.713 -6.380 1.00 61.33 H new ATOM 82 N LYS A 6 10.088 5.282 -6.801 1.00 44.23 N ATOM 83 CA LYS A 6 11.385 5.576 -7.399 1.00 64.32 C ATOM 84 C LYS A 6 11.406 6.981 -7.992 1.00 72.00 C ATOM 85 O LYS A 6 12.453 7.626 -8.047 1.00 53.41 O ATOM 86 CB LYS A 6 11.714 4.548 -8.485 1.00 10.14 C ATOM 87 CG LYS A 6 10.675 4.478 -9.591 1.00 4.43 C ATOM 88 CD LYS A 6 10.377 3.042 -9.986 1.00 21.21 C ATOM 89 CE LYS A 6 11.335 2.549 -11.059 1.00 63.34 C ATOM 90 NZ LYS A 6 10.629 1.787 -12.126 1.00 34.41 N ATOM 0 H LYS A 6 9.649 4.428 -7.145 1.00 44.23 H new ATOM 0 HA LYS A 6 12.139 5.521 -6.614 1.00 64.32 H new ATOM 0 HB2 LYS A 6 12.682 4.791 -8.922 1.00 10.14 H new ATOM 0 HB3 LYS A 6 11.810 3.564 -8.025 1.00 10.14 H new ATOM 0 HG2 LYS A 6 9.757 4.963 -9.260 1.00 4.43 H new ATOM 0 HG3 LYS A 6 11.031 5.029 -10.461 1.00 4.43 H new ATOM 0 HD2 LYS A 6 10.450 2.400 -9.109 1.00 21.21 H new ATOM 0 HD3 LYS A 6 9.352 2.969 -10.350 1.00 21.21 H new ATOM 0 HE2 LYS A 6 11.853 3.400 -11.502 1.00 63.34 H new ATOM 0 HE3 LYS A 6 12.096 1.915 -10.603 1.00 63.34 H new ATOM 0 HZ1 LYS A 6 11.317 1.468 -12.838 1.00 34.41 H new ATOM 0 HZ2 LYS A 6 10.156 0.961 -11.707 1.00 34.41 H new ATOM 0 HZ3 LYS A 6 9.920 2.399 -12.579 1.00 34.41 H new ATOM 104 N ARG A 7 10.243 7.449 -8.433 1.00 13.32 N ATOM 105 CA ARG A 7 10.128 8.778 -9.021 1.00 52.30 C ATOM 106 C ARG A 7 10.684 9.840 -8.077 1.00 45.45 C ATOM 107 O ARG A 7 11.222 10.857 -8.517 1.00 63.02 O ATOM 108 CB ARG A 7 8.666 9.089 -9.350 1.00 65.14 C ATOM 109 CG ARG A 7 8.174 8.421 -10.624 1.00 32.34 C ATOM 110 CD ARG A 7 6.656 8.336 -10.657 1.00 51.41 C ATOM 111 NE ARG A 7 6.102 8.918 -11.877 1.00 1.32 N ATOM 112 CZ ARG A 7 6.090 8.294 -13.049 1.00 61.21 C ATOM 113 NH1 ARG A 7 6.599 7.074 -13.160 1.00 15.33 N ATOM 114 NH2 ARG A 7 5.568 8.889 -14.114 1.00 2.10 N ATOM 0 H ARG A 7 9.367 6.928 -8.394 1.00 13.32 H new ATOM 0 HA ARG A 7 10.712 8.792 -9.941 1.00 52.30 H new ATOM 0 HB2 ARG A 7 8.039 8.770 -8.517 1.00 65.14 H new ATOM 0 HB3 ARG A 7 8.545 10.168 -9.445 1.00 65.14 H new ATOM 0 HG2 ARG A 7 8.527 8.981 -11.490 1.00 32.34 H new ATOM 0 HG3 ARG A 7 8.597 7.419 -10.698 1.00 32.34 H new ATOM 0 HD2 ARG A 7 6.350 7.293 -10.581 1.00 51.41 H new ATOM 0 HD3 ARG A 7 6.245 8.853 -9.790 1.00 51.41 H new ATOM 0 HE ARG A 7 5.702 9.855 -11.826 1.00 1.32 H new ATOM 0 HH11 ARG A 7 7.001 6.613 -12.344 1.00 15.33 H new ATOM 0 HH12 ARG A 7 6.588 6.597 -14.062 1.00 15.33 H new ATOM 0 HH21 ARG A 7 5.175 9.827 -14.033 1.00 2.10 H new ATOM 0 HH22 ARG A 7 5.559 8.408 -15.014 1.00 2.10 H new ATOM 128 N LYS A 8 10.551 9.598 -6.778 1.00 3.21 N ATOM 129 CA LYS A 8 11.041 10.532 -5.771 1.00 10.11 C ATOM 130 C LYS A 8 12.269 9.972 -5.061 1.00 22.12 C ATOM 131 O LYS A 8 13.129 10.724 -4.601 1.00 12.55 O ATOM 132 CB LYS A 8 9.942 10.835 -4.750 1.00 3.34 C ATOM 133 CG LYS A 8 8.742 11.554 -5.342 1.00 64.43 C ATOM 134 CD LYS A 8 7.444 10.840 -5.007 1.00 34.21 C ATOM 135 CE LYS A 8 6.876 11.310 -3.676 1.00 45.43 C ATOM 136 NZ LYS A 8 6.171 10.215 -2.956 1.00 35.03 N ATOM 0 H LYS A 8 10.108 8.762 -6.397 1.00 3.21 H new ATOM 0 HA LYS A 8 11.325 11.456 -6.275 1.00 10.11 H new ATOM 0 HB2 LYS A 8 9.609 9.900 -4.300 1.00 3.34 H new ATOM 0 HB3 LYS A 8 10.360 11.444 -3.948 1.00 3.34 H new ATOM 0 HG2 LYS A 8 8.705 12.575 -4.963 1.00 64.43 H new ATOM 0 HG3 LYS A 8 8.853 11.620 -6.424 1.00 64.43 H new ATOM 0 HD2 LYS A 8 6.715 11.018 -5.798 1.00 34.21 H new ATOM 0 HD3 LYS A 8 7.618 9.765 -4.970 1.00 34.21 H new ATOM 0 HE2 LYS A 8 7.683 11.694 -3.052 1.00 45.43 H new ATOM 0 HE3 LYS A 8 6.185 12.136 -3.847 1.00 45.43 H new ATOM 0 HZ1 LYS A 8 5.799 10.576 -2.054 1.00 35.03 H new ATOM 0 HZ2 LYS A 8 5.385 9.865 -3.540 1.00 35.03 H new ATOM 0 HZ3 LYS A 8 6.836 9.438 -2.770 1.00 35.03 H new ATOM 150 N CYS A 9 12.346 8.649 -4.977 1.00 31.53 N ATOM 151 CA CYS A 9 13.470 7.988 -4.323 1.00 61.21 C ATOM 152 C CYS A 9 14.268 7.156 -5.322 1.00 51.33 C ATOM 153 O CYS A 9 14.221 5.926 -5.321 1.00 24.04 O ATOM 154 CB CYS A 9 12.973 7.098 -3.183 1.00 12.11 C ATOM 155 SG CYS A 9 12.907 7.925 -1.576 1.00 63.22 S ATOM 0 H CYS A 9 11.644 8.012 -5.354 1.00 31.53 H new ATOM 0 HA CYS A 9 14.124 8.758 -3.914 1.00 61.21 H new ATOM 0 HB2 CYS A 9 11.978 6.730 -3.431 1.00 12.11 H new ATOM 0 HB3 CYS A 9 13.625 6.228 -3.105 1.00 12.11 H new ATOM 0 HG CYS A 9 12.473 7.092 -0.677 1.00 63.22 H new ATOM 161 N PRO A 10 15.017 7.842 -6.198 1.00 51.15 N ATOM 162 CA PRO A 10 15.838 7.187 -7.221 1.00 4.13 C ATOM 163 C PRO A 10 17.034 6.455 -6.622 1.00 24.02 C ATOM 164 O PRO A 10 17.596 5.551 -7.242 1.00 4.10 O ATOM 165 CB PRO A 10 16.308 8.351 -8.098 1.00 31.44 C ATOM 166 CG PRO A 10 16.268 9.540 -7.202 1.00 1.23 C ATOM 167 CD PRO A 10 15.120 9.310 -6.258 1.00 61.23 C ATOM 0 HA PRO A 10 15.280 6.424 -7.764 1.00 4.13 H new ATOM 0 HB2 PRO A 10 17.314 8.177 -8.481 1.00 31.44 H new ATOM 0 HB3 PRO A 10 15.657 8.484 -8.962 1.00 31.44 H new ATOM 0 HG2 PRO A 10 17.205 9.649 -6.657 1.00 1.23 H new ATOM 0 HG3 PRO A 10 16.124 10.456 -7.775 1.00 1.23 H new ATOM 0 HD2 PRO A 10 15.315 9.740 -5.275 1.00 61.23 H new ATOM 0 HD3 PRO A 10 14.200 9.763 -6.627 1.00 61.23 H new ATOM 175 N LEU A 11 17.419 6.850 -5.413 1.00 61.22 N ATOM 176 CA LEU A 11 18.549 6.230 -4.730 1.00 1.35 C ATOM 177 C LEU A 11 18.138 4.912 -4.083 1.00 32.52 C ATOM 178 O LEU A 11 18.948 3.995 -3.948 1.00 63.52 O ATOM 179 CB LEU A 11 19.111 7.178 -3.669 1.00 12.44 C ATOM 180 CG LEU A 11 19.636 8.521 -4.179 1.00 25.43 C ATOM 181 CD1 LEU A 11 19.109 9.661 -3.322 1.00 21.13 C ATOM 182 CD2 LEU A 11 21.158 8.525 -4.198 1.00 1.01 C ATOM 0 H LEU A 11 16.965 7.596 -4.886 1.00 61.22 H new ATOM 0 HA LEU A 11 19.321 6.024 -5.471 1.00 1.35 H new ATOM 0 HB2 LEU A 11 18.330 7.371 -2.933 1.00 12.44 H new ATOM 0 HB3 LEU A 11 19.921 6.668 -3.148 1.00 12.44 H new ATOM 0 HG LEU A 11 19.279 8.666 -5.199 1.00 25.43 H new ATOM 0 HD11 LEU A 11 19.493 10.608 -3.700 1.00 21.13 H new ATOM 0 HD12 LEU A 11 18.020 9.671 -3.359 1.00 21.13 H new ATOM 0 HD13 LEU A 11 19.436 9.523 -2.291 1.00 21.13 H new ATOM 0 HD21 LEU A 11 21.515 9.488 -4.563 1.00 1.01 H new ATOM 0 HD22 LEU A 11 21.535 8.358 -3.189 1.00 1.01 H new ATOM 0 HD23 LEU A 11 21.516 7.732 -4.855 1.00 1.01 H new ATOM 194 N PHE A 12 16.873 4.822 -3.686 1.00 13.42 N ATOM 195 CA PHE A 12 16.353 3.615 -3.054 1.00 51.22 C ATOM 196 C PHE A 12 15.339 2.921 -3.959 1.00 44.14 C ATOM 197 O PHE A 12 14.403 2.281 -3.484 1.00 74.43 O ATOM 198 CB PHE A 12 15.705 3.956 -1.711 1.00 34.43 C ATOM 199 CG PHE A 12 16.191 3.100 -0.576 1.00 61.34 C ATOM 200 CD1 PHE A 12 15.959 1.734 -0.573 1.00 23.31 C ATOM 201 CD2 PHE A 12 16.880 3.661 0.487 1.00 53.32 C ATOM 202 CE1 PHE A 12 16.406 0.943 0.469 1.00 11.13 C ATOM 203 CE2 PHE A 12 17.329 2.876 1.531 1.00 21.23 C ATOM 204 CZ PHE A 12 17.091 1.515 1.523 1.00 12.22 C ATOM 0 H PHE A 12 16.189 5.571 -3.791 1.00 13.42 H new ATOM 0 HA PHE A 12 17.188 2.935 -2.885 1.00 51.22 H new ATOM 0 HB2 PHE A 12 15.902 5.002 -1.477 1.00 34.43 H new ATOM 0 HB3 PHE A 12 14.624 3.848 -1.800 1.00 34.43 H new ATOM 0 HD1 PHE A 12 15.423 1.282 -1.394 1.00 23.31 H new ATOM 0 HD2 PHE A 12 17.068 4.724 0.499 1.00 53.32 H new ATOM 0 HE1 PHE A 12 16.220 -0.121 0.459 1.00 11.13 H new ATOM 0 HE2 PHE A 12 17.866 3.326 2.353 1.00 21.23 H new ATOM 0 HZ PHE A 12 17.440 0.900 2.339 1.00 12.22 H new ATOM 214 N GLY A 13 15.535 3.054 -5.268 1.00 15.31 N ATOM 215 CA GLY A 13 14.630 2.436 -6.220 1.00 22.14 C ATOM 216 C GLY A 13 14.895 0.953 -6.392 1.00 10.40 C ATOM 217 O GLY A 13 14.023 0.206 -6.836 1.00 51.42 O ATOM 0 H GLY A 13 16.304 3.578 -5.686 1.00 15.31 H new ATOM 0 HA2 GLY A 13 13.602 2.582 -5.888 1.00 22.14 H new ATOM 0 HA3 GLY A 13 14.727 2.934 -7.185 1.00 22.14 H new ATOM 221 N LYS A 14 16.103 0.525 -6.041 1.00 51.14 N ATOM 222 CA LYS A 14 16.482 -0.878 -6.160 1.00 10.15 C ATOM 223 C LYS A 14 16.066 -1.660 -4.918 1.00 71.30 C ATOM 224 O LYS A 14 15.819 -2.864 -4.985 1.00 3.34 O ATOM 225 CB LYS A 14 17.992 -1.003 -6.372 1.00 63.30 C ATOM 226 CG LYS A 14 18.815 -0.518 -5.191 1.00 40.43 C ATOM 227 CD LYS A 14 20.294 -0.451 -5.532 1.00 43.32 C ATOM 228 CE LYS A 14 21.122 -0.004 -4.337 1.00 1.01 C ATOM 229 NZ LYS A 14 22.414 0.607 -4.754 1.00 64.15 N ATOM 0 H LYS A 14 16.837 1.130 -5.672 1.00 51.14 H new ATOM 0 HA LYS A 14 15.964 -1.297 -7.023 1.00 10.15 H new ATOM 0 HB2 LYS A 14 18.237 -2.046 -6.571 1.00 63.30 H new ATOM 0 HB3 LYS A 14 18.274 -0.435 -7.258 1.00 63.30 H new ATOM 0 HG2 LYS A 14 18.466 0.468 -4.884 1.00 40.43 H new ATOM 0 HG3 LYS A 14 18.666 -1.187 -4.343 1.00 40.43 H new ATOM 0 HD2 LYS A 14 20.636 -1.430 -5.867 1.00 43.32 H new ATOM 0 HD3 LYS A 14 20.446 0.240 -6.361 1.00 43.32 H new ATOM 0 HE2 LYS A 14 20.553 0.716 -3.750 1.00 1.01 H new ATOM 0 HE3 LYS A 14 21.317 -0.859 -3.690 1.00 1.01 H new ATOM 0 HZ1 LYS A 14 22.948 0.898 -3.911 1.00 64.15 H new ATOM 0 HZ2 LYS A 14 22.969 -0.088 -5.293 1.00 64.15 H new ATOM 0 HZ3 LYS A 14 22.228 1.439 -5.350 1.00 64.15 H new ATOM 243 N GLY A 15 15.989 -0.968 -3.786 1.00 14.34 N ATOM 244 CA GLY A 15 15.601 -1.614 -2.546 1.00 34.24 C ATOM 245 C GLY A 15 14.134 -1.999 -2.526 1.00 45.33 C ATOM 246 O GLY A 15 13.743 -3.009 -3.108 1.00 72.24 O ATOM 0 H GLY A 15 16.188 0.029 -3.705 1.00 14.34 H new ATOM 0 HA2 GLY A 15 16.210 -2.506 -2.399 1.00 34.24 H new ATOM 0 HA3 GLY A 15 15.809 -0.945 -1.711 1.00 34.24 H new ATOM 250 N GLY A 16 13.321 -1.191 -1.853 1.00 10.22 N ATOM 251 CA GLY A 16 11.899 -1.470 -1.771 1.00 2.22 C ATOM 252 C GLY A 16 11.535 -2.268 -0.534 1.00 43.44 C ATOM 253 O GLY A 16 11.307 -3.475 -0.612 1.00 1.34 O ATOM 0 H GLY A 16 13.621 -0.348 -1.363 1.00 10.22 H new ATOM 0 HA2 GLY A 16 11.347 -0.530 -1.769 1.00 2.22 H new ATOM 0 HA3 GLY A 16 11.588 -2.020 -2.659 1.00 2.22 H new TER 257 GLY A 16