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+ -112:sc= -0.538 (180deg=-0.615) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.0292 (180deg=-0.309) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 105:sc= -0.16 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA VAL A 1 2.094 -0.002 -1.242 1.00 12.15 C ATOM 3 C VAL A 1 1.743 1.205 -2.105 1.00 23.14 C ATOM 4 O VAL A 1 0.612 1.689 -2.083 1.00 20.22 O ATOM 5 CB VAL A 1 1.845 -1.288 -2.052 1.00 24.14 C ATOM 6 CG1 VAL A 1 2.332 -2.506 -1.282 1.00 22.50 C ATOM 7 CG2 VAL A 1 0.371 -1.421 -2.400 1.00 34.51 C ATOM 0 H1 VAL A 1 1.969 0.169 0.802 1.00 3.00 H new ATOM 0 H2 VAL A 1 0.612 0.753 -0.035 1.00 3.00 H new ATOM 0 H3 VAL A 1 0.859 -0.920 0.120 1.00 3.00 H new ATOM 0 HA VAL A 1 3.147 0.046 -0.966 1.00 12.15 H new ATOM 0 HB VAL A 1 2.410 -1.226 -2.982 1.00 24.14 H new ATOM 0 HG11 VAL A 1 2.148 -3.405 -1.870 1.00 22.50 H new ATOM 0 HG12 VAL A 1 3.401 -2.411 -1.089 1.00 22.50 H new ATOM 0 HG13 VAL A 1 1.797 -2.576 -0.335 1.00 22.50 H new ATOM 0 HG21 VAL A 1 0.213 -2.335 -2.972 1.00 34.51 H new ATOM 0 HG22 VAL A 1 -0.217 -1.461 -1.483 1.00 34.51 H new ATOM 0 HG23 VAL A 1 0.059 -0.562 -2.994 1.00 34.51 H new ATOM 17 N ALA A 2 2.722 1.686 -2.865 1.00 14.14 N ATOM 18 CA ALA A 2 2.516 2.835 -3.738 1.00 10.15 C ATOM 19 C ALA A 2 2.652 2.441 -5.204 1.00 51.45 C ATOM 20 O ALA A 2 2.987 3.270 -6.051 1.00 11.21 O ATOM 21 CB ALA A 2 3.501 3.943 -3.393 1.00 33.31 C ATOM 0 H ALA A 2 3.665 1.298 -2.894 1.00 14.14 H new ATOM 0 HA ALA A 2 1.502 3.203 -3.581 1.00 10.15 H new ATOM 0 HB1 ALA A 2 3.336 4.795 -4.053 1.00 33.31 H new ATOM 0 HB2 ALA A 2 3.354 4.252 -2.358 1.00 33.31 H new ATOM 0 HB3 ALA A 2 4.520 3.577 -3.521 1.00 33.31 H new ATOM 27 N ARG A 3 2.391 1.172 -5.498 1.00 74.12 N ATOM 28 CA ARG A 3 2.486 0.668 -6.863 1.00 52.31 C ATOM 29 C ARG A 3 1.100 0.496 -7.477 1.00 54.21 C ATOM 30 O ARG A 3 0.926 0.621 -8.689 1.00 2.34 O ATOM 31 CB ARG A 3 3.235 -0.666 -6.886 1.00 53.51 C ATOM 32 CG ARG A 3 4.738 -0.523 -6.710 1.00 34.31 C ATOM 33 CD ARG A 3 5.395 -1.866 -6.430 1.00 42.34 C ATOM 34 NE ARG A 3 6.851 -1.790 -6.514 1.00 43.12 N ATOM 35 CZ ARG A 3 7.614 -1.246 -5.573 1.00 3.04 C ATOM 36 NH1 ARG A 3 7.062 -0.733 -4.482 1.00 23.35 N ATOM 37 NH2 ARG A 3 8.932 -1.215 -5.721 1.00 45.41 N ATOM 0 H ARG A 3 2.112 0.473 -4.809 1.00 74.12 H new ATOM 0 HA ARG A 3 3.039 1.397 -7.455 1.00 52.31 H new ATOM 0 HB2 ARG A 3 2.844 -1.306 -6.095 1.00 53.51 H new ATOM 0 HB3 ARG A 3 3.035 -1.169 -7.832 1.00 53.51 H new ATOM 0 HG2 ARG A 3 5.171 -0.085 -7.609 1.00 34.31 H new ATOM 0 HG3 ARG A 3 4.946 0.163 -5.889 1.00 34.31 H new ATOM 0 HD2 ARG A 3 5.107 -2.211 -5.437 1.00 42.34 H new ATOM 0 HD3 ARG A 3 5.029 -2.605 -7.143 1.00 42.34 H new ATOM 0 HE ARG A 3 7.307 -2.176 -7.341 1.00 43.12 H new ATOM 0 HH11 ARG A 3 6.049 -0.756 -4.364 1.00 23.35 H new ATOM 0 HH12 ARG A 3 7.650 -0.316 -3.761 1.00 23.35 H new ATOM 0 HH21 ARG A 3 9.361 -1.609 -6.558 1.00 45.41 H new ATOM 0 HH22 ARG A 3 9.517 -0.797 -4.997 1.00 45.41 H new ATOM 51 N GLY A 4 0.115 0.208 -6.631 1.00 72.24 N ATOM 52 CA GLY A 4 -1.243 0.023 -7.109 1.00 61.42 C ATOM 53 C GLY A 4 -2.065 1.293 -7.027 1.00 41.52 C ATOM 54 O GLY A 4 -3.039 1.363 -6.277 1.00 43.24 O ATOM 0 H GLY A 4 0.233 0.100 -5.624 1.00 72.24 H new ATOM 0 HA2 GLY A 4 -1.217 -0.323 -8.142 1.00 61.42 H new ATOM 0 HA3 GLY A 4 -1.728 -0.758 -6.523 1.00 61.42 H new ATOM 58 N TRP A 5 -1.672 2.301 -7.798 1.00 61.11 N ATOM 59 CA TRP A 5 -2.379 3.577 -7.808 1.00 21.42 C ATOM 60 C TRP A 5 -3.201 3.734 -9.082 1.00 71.41 C ATOM 61 O TRP A 5 -3.730 4.809 -9.363 1.00 53.12 O ATOM 62 CB TRP A 5 -1.387 4.734 -7.680 1.00 62.23 C ATOM 63 CG TRP A 5 -1.140 5.151 -6.262 1.00 53.41 C ATOM 64 CD1 TRP A 5 -0.326 4.535 -5.356 1.00 64.30 C ATOM 65 CD2 TRP A 5 -1.715 6.276 -5.588 1.00 2.21 C ATOM 66 NE1 TRP A 5 -0.359 5.208 -4.159 1.00 0.51 N ATOM 67 CE2 TRP A 5 -1.203 6.281 -4.275 1.00 70.04 C ATOM 68 CE3 TRP A 5 -2.610 7.281 -5.965 1.00 63.24 C ATOM 69 CZ2 TRP A 5 -1.559 7.251 -3.342 1.00 22.53 C ATOM 70 CZ3 TRP A 5 -2.962 8.242 -5.037 1.00 50.23 C ATOM 71 CH2 TRP A 5 -2.437 8.222 -3.738 1.00 41.24 C ATOM 0 H TRP A 5 -0.868 2.260 -8.424 1.00 61.11 H new ATOM 0 HA TRP A 5 -3.058 3.594 -6.956 1.00 21.42 H new ATOM 0 HB2 TRP A 5 -0.440 4.444 -8.136 1.00 62.23 H new ATOM 0 HB3 TRP A 5 -1.763 5.589 -8.242 1.00 62.23 H new ATOM 0 HD1 TRP A 5 0.259 3.648 -5.552 1.00 64.30 H new ATOM 0 HE1 TRP A 5 0.161 4.951 -3.320 1.00 0.51 H new ATOM 0 HE3 TRP A 5 -3.019 7.306 -6.964 1.00 63.24 H new ATOM 0 HZ2 TRP A 5 -1.156 7.237 -2.340 1.00 22.53 H new ATOM 0 HZ3 TRP A 5 -3.654 9.022 -5.318 1.00 50.23 H new ATOM 0 HH2 TRP A 5 -2.731 8.988 -3.036 1.00 41.24 H new ATOM 82 N LYS A 6 -3.305 2.655 -9.851 1.00 31.33 N ATOM 83 CA LYS A 6 -4.065 2.672 -11.095 1.00 65.32 C ATOM 84 C LYS A 6 -5.270 1.741 -11.010 1.00 22.21 C ATOM 85 O LYS A 6 -5.816 1.322 -12.031 1.00 12.33 O ATOM 86 CB LYS A 6 -3.171 2.260 -12.268 1.00 0.34 C ATOM 87 CG LYS A 6 -2.492 0.915 -12.072 1.00 55.54 C ATOM 88 CD LYS A 6 -1.125 1.069 -11.427 1.00 54.02 C ATOM 89 CE LYS A 6 -0.010 0.682 -12.386 1.00 22.11 C ATOM 90 NZ LYS A 6 -0.079 -0.757 -12.765 1.00 44.51 N ATOM 0 H LYS A 6 -2.872 1.757 -9.634 1.00 31.33 H new ATOM 0 HA LYS A 6 -4.424 3.688 -11.258 1.00 65.32 H new ATOM 0 HB2 LYS A 6 -3.772 2.225 -13.177 1.00 0.34 H new ATOM 0 HB3 LYS A 6 -2.408 3.024 -12.419 1.00 0.34 H new ATOM 0 HG2 LYS A 6 -3.119 0.277 -11.449 1.00 55.54 H new ATOM 0 HG3 LYS A 6 -2.387 0.416 -13.035 1.00 55.54 H new ATOM 0 HD2 LYS A 6 -0.988 2.101 -11.105 1.00 54.02 H new ATOM 0 HD3 LYS A 6 -1.071 0.447 -10.534 1.00 54.02 H new ATOM 0 HE2 LYS A 6 -0.073 1.297 -13.283 1.00 22.11 H new ATOM 0 HE3 LYS A 6 0.955 0.890 -11.924 1.00 22.11 H new ATOM 0 HZ1 LYS A 6 0.863 -1.084 -13.061 1.00 44.51 H new ATOM 0 HZ2 LYS A 6 -0.399 -1.316 -11.948 1.00 44.51 H new ATOM 0 HZ3 LYS A 6 -0.750 -0.877 -13.551 1.00 44.51 H new ATOM 104 N ARG A 7 -5.680 1.422 -9.787 1.00 20.23 N ATOM 105 CA ARG A 7 -6.821 0.541 -9.569 1.00 21.31 C ATOM 106 C ARG A 7 -7.913 1.251 -8.774 1.00 5.11 C ATOM 107 O ARG A 7 -8.914 1.696 -9.334 1.00 53.34 O ATOM 108 CB ARG A 7 -6.381 -0.726 -8.832 1.00 50.14 C ATOM 109 CG ARG A 7 -5.869 -1.820 -9.755 1.00 32.12 C ATOM 110 CD ARG A 7 -4.427 -2.184 -9.440 1.00 64.15 C ATOM 111 NE ARG A 7 -4.096 -3.538 -9.877 1.00 50.01 N ATOM 112 CZ ARG A 7 -4.418 -4.630 -9.193 1.00 30.11 C ATOM 113 NH1 ARG A 7 -5.076 -4.528 -8.046 1.00 61.03 N ATOM 114 NH2 ARG A 7 -4.082 -5.827 -9.656 1.00 33.53 N ATOM 0 H ARG A 7 -5.239 1.760 -8.932 1.00 20.23 H new ATOM 0 HA ARG A 7 -7.226 0.265 -10.543 1.00 21.31 H new ATOM 0 HB2 ARG A 7 -5.598 -0.468 -8.119 1.00 50.14 H new ATOM 0 HB3 ARG A 7 -7.222 -1.112 -8.256 1.00 50.14 H new ATOM 0 HG2 ARG A 7 -6.498 -2.704 -9.657 1.00 32.12 H new ATOM 0 HG3 ARG A 7 -5.944 -1.489 -10.791 1.00 32.12 H new ATOM 0 HD2 ARG A 7 -3.759 -1.473 -9.926 1.00 64.15 H new ATOM 0 HD3 ARG A 7 -4.258 -2.098 -8.367 1.00 64.15 H new ATOM 0 HE ARG A 7 -3.590 -3.651 -10.755 1.00 50.01 H new ATOM 0 HH11 ARG A 7 -5.336 -3.609 -7.687 1.00 61.03 H new ATOM 0 HH12 ARG A 7 -5.322 -5.368 -7.523 1.00 61.03 H new ATOM 0 HH21 ARG A 7 -3.576 -5.909 -10.538 1.00 33.53 H new ATOM 0 HH22 ARG A 7 -4.330 -6.665 -9.130 1.00 33.53 H new ATOM 128 N LYS A 8 -7.712 1.353 -7.464 1.00 51.34 N ATOM 129 CA LYS A 8 -8.678 2.010 -6.591 1.00 24.30 C ATOM 130 C LYS A 8 -8.215 3.417 -6.229 1.00 41.42 C ATOM 131 O LYS A 8 -8.779 4.057 -5.341 1.00 53.41 O ATOM 132 CB LYS A 8 -8.886 1.187 -5.318 1.00 31.14 C ATOM 133 CG LYS A 8 -7.620 1.002 -4.499 1.00 33.22 C ATOM 134 CD LYS A 8 -7.102 -0.424 -4.587 1.00 53.15 C ATOM 135 CE LYS A 8 -6.051 -0.702 -3.524 1.00 44.14 C ATOM 136 NZ LYS A 8 -6.008 -2.143 -3.150 1.00 43.31 N ATOM 0 H LYS A 8 -6.889 0.989 -6.984 1.00 51.34 H new ATOM 0 HA LYS A 8 -9.624 2.085 -7.127 1.00 24.30 H new ATOM 0 HB2 LYS A 8 -9.640 1.674 -4.700 1.00 31.14 H new ATOM 0 HB3 LYS A 8 -9.280 0.207 -5.589 1.00 31.14 H new ATOM 0 HG2 LYS A 8 -6.853 1.691 -4.853 1.00 33.22 H new ATOM 0 HG3 LYS A 8 -7.819 1.254 -3.457 1.00 33.22 H new ATOM 0 HD2 LYS A 8 -7.932 -1.121 -4.471 1.00 53.15 H new ATOM 0 HD3 LYS A 8 -6.676 -0.597 -5.575 1.00 53.15 H new ATOM 0 HE2 LYS A 8 -5.072 -0.393 -3.891 1.00 44.14 H new ATOM 0 HE3 LYS A 8 -6.263 -0.103 -2.638 1.00 44.14 H new ATOM 0 HZ1 LYS A 8 -5.279 -2.291 -2.423 1.00 43.31 H new ATOM 0 HZ2 LYS A 8 -6.934 -2.432 -2.776 1.00 43.31 H new ATOM 0 HZ3 LYS A 8 -5.781 -2.713 -3.990 1.00 43.31 H new ATOM 150 N CYS A 9 -7.187 3.894 -6.923 1.00 20.33 N ATOM 151 CA CYS A 9 -6.649 5.227 -6.674 1.00 72.35 C ATOM 152 C CYS A 9 -6.728 6.087 -7.931 1.00 42.32 C ATOM 153 O CYS A 9 -5.750 6.255 -8.660 1.00 51.54 O ATOM 154 CB CYS A 9 -5.200 5.133 -6.195 1.00 42.54 C ATOM 155 SG CYS A 9 -4.926 3.893 -4.909 1.00 0.03 S ATOM 0 H CYS A 9 -6.710 3.378 -7.662 1.00 20.33 H new ATOM 0 HA CYS A 9 -7.251 5.697 -5.896 1.00 72.35 H new ATOM 0 HB2 CYS A 9 -4.561 4.904 -7.048 1.00 42.54 H new ATOM 0 HB3 CYS A 9 -4.890 6.107 -5.817 1.00 42.54 H new ATOM 0 HG CYS A 9 -4.327 2.860 -5.423 1.00 0.03 H new ATOM 161 N PRO A 10 -7.919 6.645 -8.193 1.00 72.02 N ATOM 162 CA PRO A 10 -8.155 7.497 -9.363 1.00 24.32 C ATOM 163 C PRO A 10 -7.440 8.839 -9.255 1.00 41.44 C ATOM 164 O PRO A 10 -7.417 9.620 -10.208 1.00 64.10 O ATOM 165 CB PRO A 10 -9.672 7.697 -9.356 1.00 72.34 C ATOM 166 CG PRO A 10 -10.073 7.511 -7.933 1.00 44.55 C ATOM 167 CD PRO A 10 -9.128 6.487 -7.367 1.00 52.44 C ATOM 0 HA PRO A 10 -7.776 7.046 -10.280 1.00 24.32 H new ATOM 0 HB2 PRO A 10 -9.942 8.690 -9.717 1.00 72.34 H new ATOM 0 HB3 PRO A 10 -10.169 6.976 -10.005 1.00 72.34 H new ATOM 0 HG2 PRO A 10 -10.006 8.450 -7.383 1.00 44.55 H new ATOM 0 HG3 PRO A 10 -11.106 7.171 -7.860 1.00 44.55 H new ATOM 0 HD2 PRO A 10 -8.921 6.671 -6.313 1.00 52.44 H new ATOM 0 HD3 PRO A 10 -9.536 5.479 -7.441 1.00 52.44 H new ATOM 175 N LEU A 11 -6.857 9.103 -8.091 1.00 35.31 N ATOM 176 CA LEU A 11 -6.141 10.352 -7.859 1.00 42.00 C ATOM 177 C LEU A 11 -4.941 10.473 -8.793 1.00 51.13 C ATOM 178 O LEU A 11 -4.723 11.517 -9.408 1.00 43.13 O ATOM 179 CB LEU A 11 -5.678 10.435 -6.403 1.00 54.13 C ATOM 180 CG LEU A 11 -6.672 11.050 -5.417 1.00 74.33 C ATOM 181 CD1 LEU A 11 -7.351 9.964 -4.597 1.00 31.12 C ATOM 182 CD2 LEU A 11 -5.973 12.049 -4.508 1.00 3.13 C ATOM 0 H LEU A 11 -6.866 8.468 -7.293 1.00 35.31 H new ATOM 0 HA LEU A 11 -6.823 11.177 -8.065 1.00 42.00 H new ATOM 0 HB2 LEU A 11 -5.434 9.429 -6.062 1.00 54.13 H new ATOM 0 HB3 LEU A 11 -4.756 11.015 -6.368 1.00 54.13 H new ATOM 0 HG LEU A 11 -7.437 11.580 -5.985 1.00 74.33 H new ATOM 0 HD11 LEU A 11 -8.055 10.420 -3.901 1.00 31.12 H new ATOM 0 HD12 LEU A 11 -7.886 9.287 -5.262 1.00 31.12 H new ATOM 0 HD13 LEU A 11 -6.599 9.406 -4.039 1.00 31.12 H new ATOM 0 HD21 LEU A 11 -6.696 12.476 -3.813 1.00 3.13 H new ATOM 0 HD22 LEU A 11 -5.187 11.543 -3.948 1.00 3.13 H new ATOM 0 HD23 LEU A 11 -5.535 12.845 -5.111 1.00 3.13 H new ATOM 194 N PHE A 12 -4.167 9.398 -8.896 1.00 73.35 N ATOM 195 CA PHE A 12 -2.990 9.383 -9.757 1.00 71.30 C ATOM 196 C PHE A 12 -3.108 8.296 -10.822 1.00 34.14 C ATOM 197 O PHE A 12 -2.900 7.115 -10.545 1.00 45.53 O ATOM 198 CB PHE A 12 -1.726 9.161 -8.924 1.00 20.31 C ATOM 199 CG PHE A 12 -1.329 10.357 -8.107 1.00 20.23 C ATOM 200 CD1 PHE A 12 -2.100 10.764 -7.030 1.00 74.30 C ATOM 201 CD2 PHE A 12 -0.184 11.074 -8.415 1.00 32.11 C ATOM 202 CE1 PHE A 12 -1.738 11.864 -6.277 1.00 44.41 C ATOM 203 CE2 PHE A 12 0.184 12.175 -7.665 1.00 52.32 C ATOM 204 CZ PHE A 12 -0.594 12.570 -6.594 1.00 45.32 C ATOM 0 H PHE A 12 -4.333 8.526 -8.394 1.00 73.35 H new ATOM 0 HA PHE A 12 -2.924 10.350 -10.256 1.00 71.30 H new ATOM 0 HB2 PHE A 12 -1.884 8.312 -8.258 1.00 20.31 H new ATOM 0 HB3 PHE A 12 -0.904 8.896 -9.589 1.00 20.31 H new ATOM 0 HD1 PHE A 12 -2.995 10.215 -6.776 1.00 74.30 H new ATOM 0 HD2 PHE A 12 0.428 10.769 -9.251 1.00 32.11 H new ATOM 0 HE1 PHE A 12 -2.349 12.172 -5.441 1.00 44.41 H new ATOM 0 HE2 PHE A 12 1.079 12.726 -7.916 1.00 52.32 H new ATOM 0 HZ PHE A 12 -0.308 13.429 -6.006 1.00 45.32 H new ATOM 214 N GLY A 13 -3.446 8.705 -12.041 1.00 71.51 N ATOM 215 CA GLY A 13 -3.587 7.755 -13.129 1.00 75.41 C ATOM 216 C GLY A 13 -2.449 7.841 -14.126 1.00 1.20 C ATOM 217 O GLY A 13 -1.483 7.081 -14.045 1.00 55.43 O ATOM 0 H GLY A 13 -3.625 9.677 -12.294 1.00 71.51 H new ATOM 0 HA2 GLY A 13 -3.633 6.745 -12.721 1.00 75.41 H new ATOM 0 HA3 GLY A 13 -4.531 7.934 -13.644 1.00 75.41 H new ATOM 221 N LYS A 14 -2.561 8.769 -15.071 1.00 31.32 N ATOM 222 CA LYS A 14 -1.534 8.953 -16.089 1.00 22.41 C ATOM 223 C LYS A 14 -0.231 9.442 -15.465 1.00 2.11 C ATOM 224 O LYS A 14 0.855 9.158 -15.969 1.00 1.23 O ATOM 225 CB LYS A 14 -2.010 9.949 -17.149 1.00 23.41 C ATOM 226 CG LYS A 14 -2.372 11.311 -16.584 1.00 42.31 C ATOM 227 CD LYS A 14 -1.261 12.323 -16.813 1.00 31.32 C ATOM 228 CE LYS A 14 -1.789 13.749 -16.775 1.00 32.43 C ATOM 229 NZ LYS A 14 -1.627 14.364 -15.428 1.00 54.35 N ATOM 0 H LYS A 14 -3.354 9.406 -15.153 1.00 31.32 H new ATOM 0 HA LYS A 14 -1.350 7.989 -16.562 1.00 22.41 H new ATOM 0 HB2 LYS A 14 -1.227 10.072 -17.898 1.00 23.41 H new ATOM 0 HB3 LYS A 14 -2.879 9.535 -17.661 1.00 23.41 H new ATOM 0 HG2 LYS A 14 -3.291 11.667 -17.050 1.00 42.31 H new ATOM 0 HG3 LYS A 14 -2.570 11.222 -15.516 1.00 42.31 H new ATOM 0 HD2 LYS A 14 -0.491 12.199 -16.051 1.00 31.32 H new ATOM 0 HD3 LYS A 14 -0.789 12.134 -17.777 1.00 31.32 H new ATOM 0 HE2 LYS A 14 -1.262 14.351 -17.515 1.00 32.43 H new ATOM 0 HE3 LYS A 14 -2.843 13.754 -17.052 1.00 32.43 H new ATOM 0 HZ1 LYS A 14 -1.999 15.335 -15.443 1.00 54.35 H new ATOM 0 HZ2 LYS A 14 -2.150 13.804 -14.725 1.00 54.35 H new ATOM 0 HZ3 LYS A 14 -0.619 14.383 -15.174 1.00 54.35 H new ATOM 243 N GLY A 15 -0.347 10.178 -14.364 1.00 1.52 N ATOM 244 CA GLY A 15 0.830 10.694 -13.689 1.00 13.13 C ATOM 245 C GLY A 15 1.590 9.615 -12.943 1.00 15.22 C ATOM 246 O GLY A 15 2.795 9.732 -12.726 1.00 13.35 O ATOM 0 H GLY A 15 -1.235 10.426 -13.927 1.00 1.52 H new ATOM 0 HA2 GLY A 15 1.490 11.159 -14.421 1.00 13.13 H new ATOM 0 HA3 GLY A 15 0.531 11.474 -12.989 1.00 13.13 H new ATOM 250 N GLY A 16 0.882 8.561 -12.548 1.00 24.25 N ATOM 251 CA GLY A 16 1.514 7.473 -11.824 1.00 61.11 C ATOM 252 C GLY A 16 2.439 6.653 -12.702 1.00 1.14 C ATOM 253 O GLY A 16 2.301 5.433 -12.791 1.00 3.23 O ATOM 0 H GLY A 16 -0.117 8.441 -12.716 1.00 24.25 H new ATOM 0 HA2 GLY A 16 2.079 7.879 -10.985 1.00 61.11 H new ATOM 0 HA3 GLY A 16 0.745 6.824 -11.406 1.00 61.11 H new TER 257 GLY A 16