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+ 176:sc= -0.504 (180deg=-0.567) USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= -0.238 (180deg=-2.72!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 117:sc= -0.0275 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.552 2.993 -3.293 1.00 22.23 N ATOM 2 CA VAL A 1 5.948 3.143 -4.611 1.00 73.30 C ATOM 3 C VAL A 1 4.431 3.007 -4.539 1.00 30.02 C ATOM 4 O VAL A 1 3.874 2.705 -3.484 1.00 22.42 O ATOM 5 CB VAL A 1 6.499 2.101 -5.603 1.00 13.02 C ATOM 6 CG1 VAL A 1 7.977 2.344 -5.866 1.00 70.12 C ATOM 7 CG2 VAL A 1 6.267 0.692 -5.079 1.00 34.05 C ATOM 0 H1 VAL A 1 7.588 3.022 -3.380 1.00 22.23 H new ATOM 0 H2 VAL A 1 6.235 3.767 -2.676 1.00 22.23 H new ATOM 0 H3 VAL A 1 6.265 2.082 -2.881 1.00 22.23 H new ATOM 0 HA VAL A 1 6.204 4.142 -4.965 1.00 73.30 H new ATOM 0 HB VAL A 1 5.964 2.205 -6.547 1.00 13.02 H new ATOM 0 HG11 VAL A 1 8.349 1.598 -6.569 1.00 70.12 H new ATOM 0 HG12 VAL A 1 8.113 3.340 -6.288 1.00 70.12 H new ATOM 0 HG13 VAL A 1 8.530 2.268 -4.930 1.00 70.12 H new ATOM 0 HG21 VAL A 1 6.662 -0.031 -5.792 1.00 34.05 H new ATOM 0 HG22 VAL A 1 6.774 0.572 -4.122 1.00 34.05 H new ATOM 0 HG23 VAL A 1 5.198 0.524 -4.947 1.00 34.05 H new ATOM 17 N ALA A 2 3.768 3.232 -5.668 1.00 52.32 N ATOM 18 CA ALA A 2 2.315 3.133 -5.734 1.00 21.30 C ATOM 19 C ALA A 2 1.884 1.951 -6.597 1.00 3.34 C ATOM 20 O ALA A 2 1.896 2.031 -7.825 1.00 61.31 O ATOM 21 CB ALA A 2 1.721 4.426 -6.272 1.00 62.02 C ATOM 0 H ALA A 2 4.214 3.484 -6.550 1.00 52.32 H new ATOM 0 HA ALA A 2 1.941 2.968 -4.724 1.00 21.30 H new ATOM 0 HB1 ALA A 2 0.635 4.337 -6.316 1.00 62.02 H new ATOM 0 HB2 ALA A 2 1.991 5.252 -5.614 1.00 62.02 H new ATOM 0 HB3 ALA A 2 2.110 4.617 -7.272 1.00 62.02 H new ATOM 27 N ARG A 3 1.505 0.856 -5.946 1.00 3.43 N ATOM 28 CA ARG A 3 1.073 -0.342 -6.654 1.00 34.30 C ATOM 29 C ARG A 3 -0.445 -0.492 -6.593 1.00 23.02 C ATOM 30 O ARG A 3 -1.061 -1.046 -7.502 1.00 52.10 O ATOM 31 CB ARG A 3 1.743 -1.582 -6.059 1.00 34.04 C ATOM 32 CG ARG A 3 3.039 -1.967 -6.753 1.00 53.31 C ATOM 33 CD ARG A 3 3.803 -3.018 -5.964 1.00 0.24 C ATOM 34 NE ARG A 3 5.248 -2.874 -6.117 1.00 62.34 N ATOM 35 CZ ARG A 3 6.120 -3.822 -5.790 1.00 52.13 C ATOM 36 NH1 ARG A 3 5.695 -4.976 -5.294 1.00 53.43 N ATOM 37 NH2 ARG A 3 7.420 -3.616 -5.960 1.00 33.42 N ATOM 0 H ARG A 3 1.489 0.774 -4.929 1.00 3.43 H new ATOM 0 HA ARG A 3 1.370 -0.243 -7.698 1.00 34.30 H new ATOM 0 HB2 ARG A 3 1.946 -1.403 -5.003 1.00 34.04 H new ATOM 0 HB3 ARG A 3 1.049 -2.421 -6.113 1.00 34.04 H new ATOM 0 HG2 ARG A 3 2.820 -2.348 -7.750 1.00 53.31 H new ATOM 0 HG3 ARG A 3 3.662 -1.082 -6.880 1.00 53.31 H new ATOM 0 HD2 ARG A 3 3.541 -2.941 -4.909 1.00 0.24 H new ATOM 0 HD3 ARG A 3 3.501 -4.011 -6.296 1.00 0.24 H new ATOM 0 HE ARG A 3 5.608 -1.998 -6.496 1.00 62.34 H new ATOM 0 HH11 ARG A 3 4.697 -5.138 -5.163 1.00 53.43 H new ATOM 0 HH12 ARG A 3 6.367 -5.702 -5.044 1.00 53.43 H new ATOM 0 HH21 ARG A 3 7.750 -2.730 -6.342 1.00 33.42 H new ATOM 0 HH22 ARG A 3 8.089 -4.344 -5.709 1.00 33.42 H new ATOM 51 N GLY A 4 -1.041 0.006 -5.513 1.00 65.33 N ATOM 52 CA GLY A 4 -2.480 -0.083 -5.353 1.00 71.41 C ATOM 53 C GLY A 4 -3.158 1.270 -5.437 1.00 5.15 C ATOM 54 O GLY A 4 -4.172 1.505 -4.781 1.00 34.15 O ATOM 0 H GLY A 4 -0.552 0.469 -4.747 1.00 65.33 H new ATOM 0 HA2 GLY A 4 -2.888 -0.739 -6.122 1.00 71.41 H new ATOM 0 HA3 GLY A 4 -2.708 -0.541 -4.390 1.00 71.41 H new ATOM 58 N TRP A 5 -2.595 2.162 -6.243 1.00 51.44 N ATOM 59 CA TRP A 5 -3.151 3.501 -6.408 1.00 61.34 C ATOM 60 C TRP A 5 -3.575 3.740 -7.853 1.00 61.34 C ATOM 61 O TRP A 5 -3.934 4.856 -8.229 1.00 63.24 O ATOM 62 CB TRP A 5 -2.129 4.556 -5.983 1.00 23.13 C ATOM 63 CG TRP A 5 -2.153 4.848 -4.513 1.00 32.53 C ATOM 64 CD1 TRP A 5 -1.341 4.308 -3.556 1.00 72.25 C ATOM 65 CD2 TRP A 5 -3.035 5.747 -3.832 1.00 71.21 C ATOM 66 NE1 TRP A 5 -1.665 4.817 -2.322 1.00 52.53 N ATOM 67 CE2 TRP A 5 -2.701 5.703 -2.464 1.00 65.04 C ATOM 68 CE3 TRP A 5 -4.073 6.586 -4.245 1.00 12.32 C ATOM 69 CZ2 TRP A 5 -3.369 6.466 -1.510 1.00 63.52 C ATOM 70 CZ3 TRP A 5 -4.736 7.342 -3.296 1.00 44.24 C ATOM 71 CH2 TRP A 5 -4.381 7.279 -1.942 1.00 70.43 C ATOM 0 H TRP A 5 -1.754 1.983 -6.793 1.00 51.44 H new ATOM 0 HA TRP A 5 -4.032 3.582 -5.772 1.00 61.34 H new ATOM 0 HB2 TRP A 5 -1.131 4.218 -6.263 1.00 23.13 H new ATOM 0 HB3 TRP A 5 -2.319 5.478 -6.532 1.00 23.13 H new ATOM 0 HD1 TRP A 5 -0.559 3.587 -3.742 1.00 72.25 H new ATOM 0 HE1 TRP A 5 -1.209 4.575 -1.443 1.00 52.53 H new ATOM 0 HE3 TRP A 5 -4.352 6.643 -5.287 1.00 12.32 H new ATOM 0 HZ2 TRP A 5 -3.098 6.418 -0.466 1.00 63.52 H new ATOM 0 HZ3 TRP A 5 -5.541 7.992 -3.604 1.00 44.24 H new ATOM 0 HH2 TRP A 5 -4.917 7.884 -1.225 1.00 70.43 H new ATOM 82 N LYS A 6 -3.532 2.685 -8.660 1.00 63.12 N ATOM 83 CA LYS A 6 -3.913 2.779 -10.064 1.00 41.15 C ATOM 84 C LYS A 6 -5.069 1.836 -10.379 1.00 35.42 C ATOM 85 O LYS A 6 -5.288 1.470 -11.534 1.00 32.02 O ATOM 86 CB LYS A 6 -2.717 2.453 -10.962 1.00 2.42 C ATOM 87 CG LYS A 6 -2.192 1.039 -10.786 1.00 71.23 C ATOM 88 CD LYS A 6 -0.831 1.029 -10.111 1.00 61.22 C ATOM 89 CE LYS A 6 -0.033 -0.212 -10.483 1.00 54.21 C ATOM 90 NZ LYS A 6 1.419 -0.042 -10.203 1.00 23.11 N ATOM 0 H LYS A 6 -3.237 1.754 -8.365 1.00 63.12 H new ATOM 0 HA LYS A 6 -4.238 3.801 -10.258 1.00 41.15 H new ATOM 0 HB2 LYS A 6 -3.005 2.598 -12.003 1.00 2.42 H new ATOM 0 HB3 LYS A 6 -1.913 3.159 -10.753 1.00 2.42 H new ATOM 0 HG2 LYS A 6 -2.898 0.459 -10.192 1.00 71.23 H new ATOM 0 HG3 LYS A 6 -2.120 0.553 -11.759 1.00 71.23 H new ATOM 0 HD2 LYS A 6 -0.274 1.921 -10.399 1.00 61.22 H new ATOM 0 HD3 LYS A 6 -0.960 1.069 -9.029 1.00 61.22 H new ATOM 0 HE2 LYS A 6 -0.412 -1.068 -9.926 1.00 54.21 H new ATOM 0 HE3 LYS A 6 -0.176 -0.432 -11.541 1.00 54.21 H new ATOM 0 HZ1 LYS A 6 1.795 -0.914 -9.780 1.00 23.11 H new ATOM 0 HZ2 LYS A 6 1.923 0.158 -11.091 1.00 23.11 H new ATOM 0 HZ3 LYS A 6 1.555 0.750 -9.542 1.00 23.11 H new ATOM 104 N ARG A 7 -5.807 1.446 -9.344 1.00 55.43 N ATOM 105 CA ARG A 7 -6.942 0.546 -9.511 1.00 22.21 C ATOM 106 C ARG A 7 -8.233 1.203 -9.032 1.00 1.21 C ATOM 107 O ARG A 7 -9.034 1.682 -9.835 1.00 43.30 O ATOM 108 CB ARG A 7 -6.704 -0.756 -8.743 1.00 12.42 C ATOM 109 CG ARG A 7 -5.970 -1.814 -9.550 1.00 5.34 C ATOM 110 CD ARG A 7 -4.810 -2.407 -8.765 1.00 31.31 C ATOM 111 NE ARG A 7 -5.207 -3.598 -8.018 1.00 14.32 N ATOM 112 CZ ARG A 7 -4.344 -4.482 -7.531 1.00 2.45 C ATOM 113 NH1 ARG A 7 -3.042 -4.310 -7.710 1.00 45.33 N ATOM 114 NH2 ARG A 7 -4.783 -5.540 -6.861 1.00 64.02 N ATOM 0 H ARG A 7 -5.639 1.739 -8.382 1.00 55.43 H new ATOM 0 HA ARG A 7 -7.042 0.321 -10.573 1.00 22.21 H new ATOM 0 HB2 ARG A 7 -6.132 -0.537 -7.842 1.00 12.42 H new ATOM 0 HB3 ARG A 7 -7.664 -1.158 -8.421 1.00 12.42 H new ATOM 0 HG2 ARG A 7 -6.664 -2.606 -9.830 1.00 5.34 H new ATOM 0 HG3 ARG A 7 -5.598 -1.374 -10.475 1.00 5.34 H new ATOM 0 HD2 ARG A 7 -4.001 -2.662 -9.450 1.00 31.31 H new ATOM 0 HD3 ARG A 7 -4.420 -1.659 -8.075 1.00 31.31 H new ATOM 0 HE ARG A 7 -6.202 -3.759 -7.862 1.00 14.32 H new ATOM 0 HH11 ARG A 7 -2.701 -3.497 -8.223 1.00 45.33 H new ATOM 0 HH12 ARG A 7 -2.381 -4.991 -7.335 1.00 45.33 H new ATOM 0 HH21 ARG A 7 -5.784 -5.675 -6.720 1.00 64.02 H new ATOM 0 HH22 ARG A 7 -4.119 -6.218 -6.487 1.00 64.02 H new ATOM 128 N LYS A 8 -8.429 1.222 -7.718 1.00 1.01 N ATOM 129 CA LYS A 8 -9.621 1.821 -7.130 1.00 75.32 C ATOM 130 C LYS A 8 -9.341 3.245 -6.662 1.00 22.14 C ATOM 131 O LYS A 8 -10.202 3.894 -6.067 1.00 34.31 O ATOM 132 CB LYS A 8 -10.116 0.974 -5.955 1.00 71.03 C ATOM 133 CG LYS A 8 -9.059 0.733 -4.891 1.00 51.35 C ATOM 134 CD LYS A 8 -8.478 -0.667 -4.989 1.00 75.41 C ATOM 135 CE LYS A 8 -8.998 -1.565 -3.877 1.00 33.04 C ATOM 136 NZ LYS A 8 -9.133 -2.979 -4.323 1.00 33.44 N ATOM 0 H LYS A 8 -7.777 0.829 -7.039 1.00 1.01 H new ATOM 0 HA LYS A 8 -10.395 1.856 -7.897 1.00 75.32 H new ATOM 0 HB2 LYS A 8 -10.974 1.468 -5.498 1.00 71.03 H new ATOM 0 HB3 LYS A 8 -10.465 0.013 -6.332 1.00 71.03 H new ATOM 0 HG2 LYS A 8 -8.261 1.467 -4.997 1.00 51.35 H new ATOM 0 HG3 LYS A 8 -9.496 0.878 -3.903 1.00 51.35 H new ATOM 0 HD2 LYS A 8 -8.731 -1.100 -5.957 1.00 75.41 H new ATOM 0 HD3 LYS A 8 -7.390 -0.615 -4.938 1.00 75.41 H new ATOM 0 HE2 LYS A 8 -8.321 -1.516 -3.024 1.00 33.04 H new ATOM 0 HE3 LYS A 8 -9.966 -1.198 -3.536 1.00 33.04 H new ATOM 0 HZ1 LYS A 8 -9.490 -3.558 -3.537 1.00 33.44 H new ATOM 0 HZ2 LYS A 8 -9.799 -3.029 -5.120 1.00 33.44 H new ATOM 0 HZ3 LYS A 8 -8.205 -3.338 -4.624 1.00 33.44 H new ATOM 150 N CYS A 9 -8.133 3.725 -6.934 1.00 43.11 N ATOM 151 CA CYS A 9 -7.739 5.073 -6.541 1.00 12.44 C ATOM 152 C CYS A 9 -7.344 5.902 -7.759 1.00 25.52 C ATOM 153 O CYS A 9 -6.164 6.138 -8.023 1.00 35.00 O ATOM 154 CB CYS A 9 -6.578 5.019 -5.547 1.00 31.31 C ATOM 155 SG CYS A 9 -6.814 3.835 -4.201 1.00 23.23 S ATOM 0 H CYS A 9 -7.409 3.201 -7.425 1.00 43.11 H new ATOM 0 HA CYS A 9 -8.595 5.549 -6.063 1.00 12.44 H new ATOM 0 HB2 CYS A 9 -5.665 4.764 -6.085 1.00 31.31 H new ATOM 0 HB3 CYS A 9 -6.431 6.012 -5.122 1.00 31.31 H new ATOM 0 HG CYS A 9 -5.897 2.916 -4.266 1.00 23.23 H new ATOM 161 N PRO A 10 -8.351 6.352 -8.521 1.00 11.32 N ATOM 162 CA PRO A 10 -8.133 7.160 -9.725 1.00 11.05 C ATOM 163 C PRO A 10 -7.623 8.560 -9.399 1.00 31.30 C ATOM 164 O PRO A 10 -8.345 9.546 -9.552 1.00 33.25 O ATOM 165 CB PRO A 10 -9.524 7.232 -10.360 1.00 62.01 C ATOM 166 CG PRO A 10 -10.469 7.040 -9.225 1.00 73.40 C ATOM 167 CD PRO A 10 -9.781 6.109 -8.266 1.00 23.24 C ATOM 0 HA PRO A 10 -7.374 6.726 -10.376 1.00 11.05 H new ATOM 0 HB2 PRO A 10 -9.686 8.191 -10.852 1.00 62.01 H new ATOM 0 HB3 PRO A 10 -9.654 6.460 -11.118 1.00 62.01 H new ATOM 0 HG2 PRO A 10 -10.702 7.991 -8.746 1.00 73.40 H new ATOM 0 HG3 PRO A 10 -11.413 6.617 -9.570 1.00 73.40 H new ATOM 0 HD2 PRO A 10 -10.048 6.328 -7.232 1.00 23.24 H new ATOM 0 HD3 PRO A 10 -10.051 5.069 -8.451 1.00 23.24 H new ATOM 175 N LEU A 11 -6.375 8.640 -8.950 1.00 53.14 N ATOM 176 CA LEU A 11 -5.768 9.920 -8.604 1.00 0.44 C ATOM 177 C LEU A 11 -4.519 10.176 -9.442 1.00 33.53 C ATOM 178 O LEU A 11 -4.526 11.009 -10.347 1.00 54.54 O ATOM 179 CB LEU A 11 -5.413 9.953 -7.116 1.00 70.50 C ATOM 180 CG LEU A 11 -6.422 10.647 -6.200 1.00 63.22 C ATOM 181 CD1 LEU A 11 -6.209 10.225 -4.755 1.00 4.04 C ATOM 182 CD2 LEU A 11 -6.315 12.158 -6.338 1.00 3.51 C ATOM 0 H LEU A 11 -5.764 7.834 -8.817 1.00 53.14 H new ATOM 0 HA LEU A 11 -6.493 10.706 -8.816 1.00 0.44 H new ATOM 0 HB2 LEU A 11 -5.285 8.927 -6.771 1.00 70.50 H new ATOM 0 HB3 LEU A 11 -4.449 10.450 -7.004 1.00 70.50 H new ATOM 0 HG LEU A 11 -7.425 10.345 -6.501 1.00 63.22 H new ATOM 0 HD11 LEU A 11 -6.936 10.729 -4.118 1.00 4.04 H new ATOM 0 HD12 LEU A 11 -6.337 9.146 -4.668 1.00 4.04 H new ATOM 0 HD13 LEU A 11 -5.201 10.497 -4.441 1.00 4.04 H new ATOM 0 HD21 LEU A 11 -7.040 12.636 -5.679 1.00 3.51 H new ATOM 0 HD22 LEU A 11 -5.310 12.478 -6.064 1.00 3.51 H new ATOM 0 HD23 LEU A 11 -6.518 12.444 -7.370 1.00 3.51 H new ATOM 194 N PHE A 12 -3.449 9.450 -9.135 1.00 3.52 N ATOM 195 CA PHE A 12 -2.192 9.597 -9.860 1.00 54.24 C ATOM 196 C PHE A 12 -2.231 8.826 -11.177 1.00 12.14 C ATOM 197 O PHE A 12 -1.808 7.673 -11.246 1.00 11.11 O ATOM 198 CB PHE A 12 -1.024 9.107 -9.003 1.00 64.14 C ATOM 199 CG PHE A 12 -1.014 9.683 -7.616 1.00 74.22 C ATOM 200 CD1 PHE A 12 -1.723 9.072 -6.594 1.00 2.42 C ATOM 201 CD2 PHE A 12 -0.297 10.834 -7.335 1.00 1.14 C ATOM 202 CE1 PHE A 12 -1.717 9.601 -5.317 1.00 24.13 C ATOM 203 CE2 PHE A 12 -0.287 11.367 -6.059 1.00 44.02 C ATOM 204 CZ PHE A 12 -0.997 10.749 -5.049 1.00 23.22 C ATOM 0 H PHE A 12 -3.427 8.754 -8.389 1.00 3.52 H new ATOM 0 HA PHE A 12 -2.051 10.655 -10.082 1.00 54.24 H new ATOM 0 HB2 PHE A 12 -1.064 8.020 -8.936 1.00 64.14 H new ATOM 0 HB3 PHE A 12 -0.088 9.361 -9.500 1.00 64.14 H new ATOM 0 HD1 PHE A 12 -2.286 8.173 -6.797 1.00 2.42 H new ATOM 0 HD2 PHE A 12 0.261 11.321 -8.121 1.00 1.14 H new ATOM 0 HE1 PHE A 12 -2.275 9.117 -4.529 1.00 24.13 H new ATOM 0 HE2 PHE A 12 0.276 12.266 -5.853 1.00 44.02 H new ATOM 0 HZ PHE A 12 -0.989 11.162 -4.051 1.00 23.22 H new ATOM 214 N GLY A 13 -2.743 9.473 -12.220 1.00 34.44 N ATOM 215 CA GLY A 13 -2.829 8.833 -13.519 1.00 54.15 C ATOM 216 C GLY A 13 -1.507 8.844 -14.260 1.00 4.13 C ATOM 217 O GLY A 13 -0.728 7.894 -14.171 1.00 13.35 O ATOM 0 H GLY A 13 -3.099 10.428 -12.188 1.00 34.44 H new ATOM 0 HA2 GLY A 13 -3.162 7.803 -13.392 1.00 54.15 H new ATOM 0 HA3 GLY A 13 -3.583 9.340 -14.121 1.00 54.15 H new ATOM 221 N LYS A 14 -1.251 9.921 -14.995 1.00 2.13 N ATOM 222 CA LYS A 14 -0.013 10.053 -15.755 1.00 15.14 C ATOM 223 C LYS A 14 1.173 10.288 -14.826 1.00 2.44 C ATOM 224 O LYS A 14 2.309 9.948 -15.155 1.00 13.32 O ATOM 225 CB LYS A 14 -0.126 11.204 -16.757 1.00 15.34 C ATOM 226 CG LYS A 14 -0.548 12.520 -16.126 1.00 5.41 C ATOM 227 CD LYS A 14 -2.016 12.817 -16.382 1.00 44.12 C ATOM 228 CE LYS A 14 -2.209 13.603 -17.670 1.00 62.21 C ATOM 229 NZ LYS A 14 -3.650 13.815 -17.980 1.00 1.05 N ATOM 0 H LYS A 14 -1.885 10.716 -15.081 1.00 2.13 H new ATOM 0 HA LYS A 14 0.152 9.122 -16.298 1.00 15.14 H new ATOM 0 HB2 LYS A 14 0.836 11.340 -17.252 1.00 15.34 H new ATOM 0 HB3 LYS A 14 -0.846 10.933 -17.529 1.00 15.34 H new ATOM 0 HG2 LYS A 14 -0.365 12.484 -15.052 1.00 5.41 H new ATOM 0 HG3 LYS A 14 0.063 13.329 -16.527 1.00 5.41 H new ATOM 0 HD2 LYS A 14 -2.573 11.882 -16.438 1.00 44.12 H new ATOM 0 HD3 LYS A 14 -2.425 13.382 -15.545 1.00 44.12 H new ATOM 0 HE2 LYS A 14 -1.710 14.568 -17.584 1.00 62.21 H new ATOM 0 HE3 LYS A 14 -1.735 13.071 -18.495 1.00 62.21 H new ATOM 0 HZ1 LYS A 14 -3.739 14.354 -18.865 1.00 1.05 H new ATOM 0 HZ2 LYS A 14 -4.121 12.894 -18.087 1.00 1.05 H new ATOM 0 HZ3 LYS A 14 -4.097 14.345 -17.205 1.00 1.05 H new ATOM 243 N GLY A 15 0.902 10.872 -13.662 1.00 34.31 N ATOM 244 CA GLY A 15 1.957 11.141 -12.703 1.00 21.11 C ATOM 245 C GLY A 15 2.702 9.886 -12.293 1.00 31.00 C ATOM 246 O GLY A 15 3.824 9.648 -12.738 1.00 0.53 O ATOM 0 H GLY A 15 -0.030 11.163 -13.367 1.00 34.31 H new ATOM 0 HA2 GLY A 15 2.661 11.854 -13.132 1.00 21.11 H new ATOM 0 HA3 GLY A 15 1.528 11.611 -11.818 1.00 21.11 H new ATOM 250 N GLY A 16 2.076 9.080 -11.440 1.00 44.10 N ATOM 251 CA GLY A 16 2.703 7.854 -10.983 1.00 21.32 C ATOM 252 C GLY A 16 3.897 8.112 -10.086 1.00 1.24 C ATOM 253 O GLY A 16 5.033 8.171 -10.555 1.00 65.20 O ATOM 0 H GLY A 16 1.147 9.255 -11.058 1.00 44.10 H new ATOM 0 HA2 GLY A 16 1.970 7.254 -10.443 1.00 21.32 H new ATOM 0 HA3 GLY A 16 3.021 7.269 -11.846 1.00 21.32 H new TER 257 GLY A 16