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+ 138:sc= -0.433 (180deg=-0.563) 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 105:sc= -0.29 USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= -0.518 (180deg=-2.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.240 -3.942 -1.687 1.00 64.22 N ATOM 2 CA VAL A 1 -0.027 -3.134 -1.712 1.00 4.43 C ATOM 3 C VAL A 1 -0.345 -1.675 -2.020 1.00 3.12 C ATOM 4 O VAL A 1 -1.380 -1.366 -2.609 1.00 43.24 O ATOM 5 CB VAL A 1 0.978 -3.660 -2.754 1.00 52.11 C ATOM 6 CG1 VAL A 1 1.542 -5.005 -2.321 1.00 53.42 C ATOM 7 CG2 VAL A 1 0.320 -3.764 -4.122 1.00 2.41 C ATOM 0 H1 VAL A 1 -1.065 -4.847 -2.169 1.00 64.22 H new ATOM 0 H2 VAL A 1 -1.516 -4.123 -0.701 1.00 64.22 H new ATOM 0 H3 VAL A 1 -2.006 -3.433 -2.173 1.00 64.22 H new ATOM 0 HA VAL A 1 0.420 -3.204 -0.720 1.00 4.43 H new ATOM 0 HB VAL A 1 1.805 -2.953 -2.826 1.00 52.11 H new ATOM 0 HG11 VAL A 1 2.250 -5.361 -3.070 1.00 53.42 H new ATOM 0 HG12 VAL A 1 2.051 -4.895 -1.363 1.00 53.42 H new ATOM 0 HG13 VAL A 1 0.730 -5.725 -2.219 1.00 53.42 H new ATOM 0 HG21 VAL A 1 1.044 -4.137 -4.846 1.00 2.41 H new ATOM 0 HG22 VAL A 1 -0.526 -4.450 -4.068 1.00 2.41 H new ATOM 0 HG23 VAL A 1 -0.030 -2.780 -4.433 1.00 2.41 H new ATOM 17 N ALA A 2 0.553 -0.781 -1.617 1.00 70.40 N ATOM 18 CA ALA A 2 0.369 0.645 -1.852 1.00 45.33 C ATOM 19 C ALA A 2 1.111 1.095 -3.107 1.00 75.40 C ATOM 20 O ALA A 2 1.491 2.259 -3.231 1.00 72.13 O ATOM 21 CB ALA A 2 0.839 1.444 -0.645 1.00 71.13 C ATOM 0 H ALA A 2 1.415 -1.020 -1.126 1.00 70.40 H new ATOM 0 HA ALA A 2 -0.695 0.828 -2.004 1.00 45.33 H new ATOM 0 HB1 ALA A 2 0.696 2.508 -0.835 1.00 71.13 H new ATOM 0 HB2 ALA A 2 0.262 1.151 0.232 1.00 71.13 H new ATOM 0 HB3 ALA A 2 1.896 1.246 -0.467 1.00 71.13 H new ATOM 27 N ARG A 3 1.313 0.164 -4.034 1.00 50.21 N ATOM 28 CA ARG A 3 2.011 0.465 -5.279 1.00 34.34 C ATOM 29 C ARG A 3 1.020 0.677 -6.420 1.00 31.43 C ATOM 30 O ARG A 3 1.271 1.457 -7.337 1.00 3.34 O ATOM 31 CB ARG A 3 2.978 -0.667 -5.632 1.00 54.20 C ATOM 32 CG ARG A 3 4.350 -0.515 -4.997 1.00 63.32 C ATOM 33 CD ARG A 3 5.159 0.581 -5.673 1.00 72.02 C ATOM 34 NE ARG A 3 6.501 0.697 -5.110 1.00 43.42 N ATOM 35 CZ ARG A 3 7.437 1.503 -5.601 1.00 33.22 C ATOM 36 NH1 ARG A 3 7.177 2.259 -6.658 1.00 51.14 N ATOM 37 NH2 ARG A 3 8.635 1.553 -5.033 1.00 51.30 N ATOM 0 H ARG A 3 1.004 -0.804 -3.947 1.00 50.21 H new ATOM 0 HA ARG A 3 2.577 1.386 -5.137 1.00 34.34 H new ATOM 0 HB2 ARG A 3 2.544 -1.616 -5.317 1.00 54.20 H new ATOM 0 HB3 ARG A 3 3.091 -0.712 -6.715 1.00 54.20 H new ATOM 0 HG2 ARG A 3 4.238 -0.285 -3.937 1.00 63.32 H new ATOM 0 HG3 ARG A 3 4.889 -1.460 -5.063 1.00 63.32 H new ATOM 0 HD2 ARG A 3 5.231 0.373 -6.741 1.00 72.02 H new ATOM 0 HD3 ARG A 3 4.638 1.533 -5.568 1.00 72.02 H new ATOM 0 HE ARG A 3 6.733 0.129 -4.295 1.00 43.42 H new ATOM 0 HH11 ARG A 3 6.257 2.223 -7.097 1.00 51.14 H new ATOM 0 HH12 ARG A 3 7.897 2.877 -7.033 1.00 51.14 H new ATOM 0 HH21 ARG A 3 8.838 0.973 -4.219 1.00 51.30 H new ATOM 0 HH22 ARG A 3 9.353 2.172 -5.410 1.00 51.30 H new ATOM 51 N GLY A 4 -0.108 -0.025 -6.356 1.00 23.21 N ATOM 52 CA GLY A 4 -1.119 0.100 -7.390 1.00 24.44 C ATOM 53 C GLY A 4 -1.956 1.353 -7.233 1.00 41.43 C ATOM 54 O GLY A 4 -2.944 1.360 -6.499 1.00 4.44 O ATOM 0 H GLY A 4 -0.339 -0.678 -5.607 1.00 23.21 H new ATOM 0 HA2 GLY A 4 -0.636 0.109 -8.367 1.00 24.44 H new ATOM 0 HA3 GLY A 4 -1.770 -0.774 -7.365 1.00 24.44 H new ATOM 58 N TRP A 5 -1.560 2.417 -7.924 1.00 34.42 N ATOM 59 CA TRP A 5 -2.281 3.683 -7.857 1.00 31.24 C ATOM 60 C TRP A 5 -3.278 3.803 -9.004 1.00 13.14 C ATOM 61 O TRP A 5 -3.859 4.866 -9.226 1.00 62.23 O ATOM 62 CB TRP A 5 -1.299 4.855 -7.893 1.00 60.22 C ATOM 63 CG TRP A 5 -0.862 5.306 -6.532 1.00 51.55 C ATOM 64 CD1 TRP A 5 0.080 4.719 -5.737 1.00 72.11 C ATOM 65 CD2 TRP A 5 -1.352 6.440 -5.808 1.00 21.25 C ATOM 66 NE1 TRP A 5 0.205 5.419 -4.561 1.00 70.32 N ATOM 67 CE2 TRP A 5 -0.662 6.479 -4.580 1.00 43.32 C ATOM 68 CE3 TRP A 5 -2.305 7.426 -6.076 1.00 44.24 C ATOM 69 CZ2 TRP A 5 -0.897 7.466 -3.626 1.00 25.51 C ATOM 70 CZ3 TRP A 5 -2.537 8.404 -5.128 1.00 43.11 C ATOM 71 CH2 TRP A 5 -1.835 8.419 -3.915 1.00 62.44 C ATOM 0 H TRP A 5 -0.744 2.428 -8.536 1.00 34.42 H new ATOM 0 HA TRP A 5 -2.833 3.709 -6.917 1.00 31.24 H new ATOM 0 HB2 TRP A 5 -0.421 4.567 -8.471 1.00 60.22 H new ATOM 0 HB3 TRP A 5 -1.763 5.693 -8.414 1.00 60.22 H new ATOM 0 HD1 TRP A 5 0.644 3.835 -5.994 1.00 72.11 H new ATOM 0 HE1 TRP A 5 0.840 5.187 -3.798 1.00 70.32 H new ATOM 0 HE3 TRP A 5 -2.851 7.424 -7.008 1.00 44.24 H new ATOM 0 HZ2 TRP A 5 -0.357 7.479 -2.691 1.00 25.51 H new ATOM 0 HZ3 TRP A 5 -3.272 9.170 -5.325 1.00 43.11 H new ATOM 0 HH2 TRP A 5 -2.038 9.198 -3.195 1.00 62.44 H new ATOM 82 N LYS A 6 -3.473 2.708 -9.730 1.00 35.54 N ATOM 83 CA LYS A 6 -4.402 2.689 -10.854 1.00 11.24 C ATOM 84 C LYS A 6 -5.569 1.746 -10.580 1.00 20.30 C ATOM 85 O LYS A 6 -6.248 1.299 -11.505 1.00 14.44 O ATOM 86 CB LYS A 6 -3.678 2.264 -12.133 1.00 50.31 C ATOM 87 CG LYS A 6 -2.343 2.960 -12.336 1.00 72.02 C ATOM 88 CD LYS A 6 -1.179 2.039 -12.011 1.00 32.00 C ATOM 89 CE LYS A 6 0.110 2.520 -12.659 1.00 2.35 C ATOM 90 NZ LYS A 6 0.923 1.389 -13.185 1.00 34.31 N ATOM 0 H LYS A 6 -3.000 1.821 -9.560 1.00 35.54 H new ATOM 0 HA LYS A 6 -4.796 3.697 -10.985 1.00 11.24 H new ATOM 0 HB2 LYS A 6 -3.516 1.186 -12.108 1.00 50.31 H new ATOM 0 HB3 LYS A 6 -4.320 2.470 -12.990 1.00 50.31 H new ATOM 0 HG2 LYS A 6 -2.262 3.300 -13.369 1.00 72.02 H new ATOM 0 HG3 LYS A 6 -2.294 3.847 -11.704 1.00 72.02 H new ATOM 0 HD2 LYS A 6 -1.046 1.986 -10.930 1.00 32.00 H new ATOM 0 HD3 LYS A 6 -1.405 1.030 -12.354 1.00 32.00 H new ATOM 0 HE2 LYS A 6 -0.127 3.206 -13.472 1.00 2.35 H new ATOM 0 HE3 LYS A 6 0.696 3.080 -11.930 1.00 2.35 H new ATOM 0 HZ1 LYS A 6 1.793 1.759 -13.619 1.00 34.31 H new ATOM 0 HZ2 LYS A 6 1.171 0.747 -12.405 1.00 34.31 H new ATOM 0 HZ3 LYS A 6 0.374 0.870 -13.899 1.00 34.31 H new ATOM 104 N ARG A 7 -5.797 1.447 -9.305 1.00 45.50 N ATOM 105 CA ARG A 7 -6.882 0.557 -8.911 1.00 3.45 C ATOM 106 C ARG A 7 -7.860 1.271 -7.982 1.00 41.01 C ATOM 107 O ARG A 7 -8.938 1.692 -8.403 1.00 3.12 O ATOM 108 CB ARG A 7 -6.323 -0.688 -8.220 1.00 23.00 C ATOM 109 CG ARG A 7 -6.124 -1.867 -9.158 1.00 73.31 C ATOM 110 CD ARG A 7 -4.709 -2.416 -9.071 1.00 60.51 C ATOM 111 NE ARG A 7 -4.245 -2.939 -10.353 1.00 62.14 N ATOM 112 CZ ARG A 7 -3.035 -3.453 -10.543 1.00 23.32 C ATOM 113 NH1 ARG A 7 -2.172 -3.514 -9.538 1.00 41.10 N ATOM 114 NH2 ARG A 7 -2.686 -3.909 -11.739 1.00 41.33 N ATOM 0 H ARG A 7 -5.245 1.808 -8.527 1.00 45.50 H new ATOM 0 HA ARG A 7 -7.417 0.255 -9.812 1.00 3.45 H new ATOM 0 HB2 ARG A 7 -5.369 -0.438 -7.756 1.00 23.00 H new ATOM 0 HB3 ARG A 7 -7.000 -0.983 -7.418 1.00 23.00 H new ATOM 0 HG2 ARG A 7 -6.836 -2.654 -8.911 1.00 73.31 H new ATOM 0 HG3 ARG A 7 -6.333 -1.558 -10.182 1.00 73.31 H new ATOM 0 HD2 ARG A 7 -4.035 -1.628 -8.735 1.00 60.51 H new ATOM 0 HD3 ARG A 7 -4.673 -3.207 -8.322 1.00 60.51 H new ATOM 0 HE ARG A 7 -4.885 -2.908 -11.146 1.00 62.14 H new ATOM 0 HH11 ARG A 7 -2.437 -3.166 -8.617 1.00 41.10 H new ATOM 0 HH12 ARG A 7 -1.243 -3.909 -9.686 1.00 41.10 H new ATOM 0 HH21 ARG A 7 -3.347 -3.865 -12.514 1.00 41.33 H new ATOM 0 HH22 ARG A 7 -1.756 -4.303 -11.883 1.00 41.33 H new ATOM 128 N LYS A 8 -7.477 1.403 -6.717 1.00 12.15 N ATOM 129 CA LYS A 8 -8.319 2.066 -5.727 1.00 62.04 C ATOM 130 C LYS A 8 -7.830 3.486 -5.462 1.00 13.34 C ATOM 131 O LYS A 8 -8.272 4.137 -4.514 1.00 40.51 O ATOM 132 CB LYS A 8 -8.333 1.267 -4.422 1.00 44.40 C ATOM 133 CG LYS A 8 -6.957 1.090 -3.803 1.00 11.33 C ATOM 134 CD LYS A 8 -6.490 -0.353 -3.886 1.00 24.10 C ATOM 135 CE LYS A 8 -5.364 -0.632 -2.902 1.00 44.12 C ATOM 136 NZ LYS A 8 -5.025 -2.081 -2.843 1.00 12.13 N ATOM 0 H LYS A 8 -6.588 1.060 -6.352 1.00 12.15 H new ATOM 0 HA LYS A 8 -9.333 2.118 -6.124 1.00 62.04 H new ATOM 0 HB2 LYS A 8 -8.983 1.769 -3.705 1.00 44.40 H new ATOM 0 HB3 LYS A 8 -8.766 0.285 -4.612 1.00 44.40 H new ATOM 0 HG2 LYS A 8 -6.242 1.735 -4.314 1.00 11.33 H new ATOM 0 HG3 LYS A 8 -6.983 1.406 -2.760 1.00 11.33 H new ATOM 0 HD2 LYS A 8 -7.327 -1.020 -3.681 1.00 24.10 H new ATOM 0 HD3 LYS A 8 -6.151 -0.569 -4.899 1.00 24.10 H new ATOM 0 HE2 LYS A 8 -4.480 -0.064 -3.191 1.00 44.12 H new ATOM 0 HE3 LYS A 8 -5.655 -0.286 -1.910 1.00 44.12 H new ATOM 0 HZ1 LYS A 8 -4.254 -2.230 -2.161 1.00 12.13 H new ATOM 0 HZ2 LYS A 8 -5.861 -2.621 -2.543 1.00 12.13 H new ATOM 0 HZ3 LYS A 8 -4.723 -2.405 -3.784 1.00 12.13 H new ATOM 150 N CYS A 9 -6.919 3.961 -6.303 1.00 61.34 N ATOM 151 CA CYS A 9 -6.371 5.305 -6.159 1.00 71.14 C ATOM 152 C CYS A 9 -6.641 6.139 -7.408 1.00 21.42 C ATOM 153 O CYS A 9 -5.780 6.303 -8.273 1.00 31.35 O ATOM 154 CB CYS A 9 -4.867 5.239 -5.890 1.00 51.15 C ATOM 155 SG CYS A 9 -4.395 4.031 -4.631 1.00 65.21 S ATOM 0 H CYS A 9 -6.544 3.435 -7.092 1.00 61.34 H new ATOM 0 HA CYS A 9 -6.863 5.783 -5.312 1.00 71.14 H new ATOM 0 HB2 CYS A 9 -4.353 4.998 -6.820 1.00 51.15 H new ATOM 0 HB3 CYS A 9 -4.521 6.225 -5.580 1.00 51.15 H new ATOM 0 HG CYS A 9 -3.869 2.990 -5.204 1.00 65.21 H new ATOM 161 N PRO A 10 -7.865 6.677 -7.507 1.00 13.23 N ATOM 162 CA PRO A 10 -8.278 7.502 -8.646 1.00 64.03 C ATOM 163 C PRO A 10 -7.574 8.855 -8.668 1.00 21.45 C ATOM 164 O PRO A 10 -7.698 9.616 -9.628 1.00 71.42 O ATOM 165 CB PRO A 10 -9.781 7.685 -8.426 1.00 73.12 C ATOM 166 CG PRO A 10 -9.971 7.524 -6.957 1.00 54.54 C ATOM 167 CD PRO A 10 -8.941 6.523 -6.513 1.00 74.14 C ATOM 0 HA PRO A 10 -8.027 7.036 -9.599 1.00 64.03 H new ATOM 0 HB2 PRO A 10 -10.114 8.667 -8.763 1.00 73.12 H new ATOM 0 HB3 PRO A 10 -10.356 6.945 -8.983 1.00 73.12 H new ATOM 0 HG2 PRO A 10 -9.839 8.475 -6.440 1.00 54.54 H new ATOM 0 HG3 PRO A 10 -10.978 7.174 -6.730 1.00 54.54 H new ATOM 0 HD2 PRO A 10 -8.588 6.731 -5.503 1.00 74.14 H new ATOM 0 HD3 PRO A 10 -9.342 5.509 -6.508 1.00 74.14 H new ATOM 175 N LEU A 11 -6.835 9.148 -7.604 1.00 2.44 N ATOM 176 CA LEU A 11 -6.110 10.410 -7.500 1.00 50.32 C ATOM 177 C LEU A 11 -5.061 10.527 -8.601 1.00 5.11 C ATOM 178 O LEU A 11 -4.949 11.562 -9.259 1.00 64.42 O ATOM 179 CB LEU A 11 -5.443 10.527 -6.129 1.00 25.11 C ATOM 180 CG LEU A 11 -6.284 11.168 -5.025 1.00 33.00 C ATOM 181 CD1 LEU A 11 -5.791 10.730 -3.655 1.00 4.02 C ATOM 182 CD2 LEU A 11 -6.255 12.685 -5.145 1.00 20.33 C ATOM 0 H LEU A 11 -6.722 8.529 -6.801 1.00 2.44 H new ATOM 0 HA LEU A 11 -6.826 11.223 -7.618 1.00 50.32 H new ATOM 0 HB2 LEU A 11 -5.152 9.529 -5.803 1.00 25.11 H new ATOM 0 HB3 LEU A 11 -4.526 11.106 -6.242 1.00 25.11 H new ATOM 0 HG LEU A 11 -7.315 10.834 -5.140 1.00 33.00 H new ATOM 0 HD11 LEU A 11 -6.402 11.197 -2.882 1.00 4.02 H new ATOM 0 HD12 LEU A 11 -5.865 9.646 -3.571 1.00 4.02 H new ATOM 0 HD13 LEU A 11 -4.752 11.033 -3.528 1.00 4.02 H new ATOM 0 HD21 LEU A 11 -6.859 13.124 -4.351 1.00 20.33 H new ATOM 0 HD22 LEU A 11 -5.227 13.037 -5.056 1.00 20.33 H new ATOM 0 HD23 LEU A 11 -6.658 12.981 -6.114 1.00 20.33 H new ATOM 194 N PHE A 12 -4.295 9.459 -8.797 1.00 24.01 N ATOM 195 CA PHE A 12 -3.255 9.441 -9.819 1.00 3.00 C ATOM 196 C PHE A 12 -3.511 8.333 -10.836 1.00 71.03 C ATOM 197 O PHE A 12 -3.339 7.151 -10.540 1.00 53.30 O ATOM 198 CB PHE A 12 -1.880 9.249 -9.175 1.00 11.42 C ATOM 199 CG PHE A 12 -1.380 10.469 -8.455 1.00 14.14 C ATOM 200 CD1 PHE A 12 -1.982 10.892 -7.280 1.00 74.25 C ATOM 201 CD2 PHE A 12 -0.309 11.193 -8.952 1.00 41.11 C ATOM 202 CE1 PHE A 12 -1.525 12.013 -6.615 1.00 2.51 C ATOM 203 CE2 PHE A 12 0.153 12.315 -8.291 1.00 3.22 C ATOM 204 CZ PHE A 12 -0.456 12.727 -7.122 1.00 31.35 C ATOM 0 H PHE A 12 -4.375 8.595 -8.261 1.00 24.01 H new ATOM 0 HA PHE A 12 -3.275 10.399 -10.338 1.00 3.00 H new ATOM 0 HB2 PHE A 12 -1.930 8.417 -8.472 1.00 11.42 H new ATOM 0 HB3 PHE A 12 -1.162 8.972 -9.947 1.00 11.42 H new ATOM 0 HD1 PHE A 12 -2.818 10.338 -6.880 1.00 74.25 H new ATOM 0 HD2 PHE A 12 0.171 10.877 -9.867 1.00 41.11 H new ATOM 0 HE1 PHE A 12 -2.002 12.331 -5.700 1.00 2.51 H new ATOM 0 HE2 PHE A 12 0.990 12.870 -8.688 1.00 3.22 H new ATOM 0 HZ PHE A 12 -0.098 13.605 -6.605 1.00 31.35 H new ATOM 214 N GLY A 13 -3.924 8.725 -12.038 1.00 33.31 N ATOM 215 CA GLY A 13 -4.199 7.754 -13.081 1.00 23.20 C ATOM 216 C GLY A 13 -3.136 7.748 -14.161 1.00 64.54 C ATOM 217 O GLY A 13 -2.186 6.966 -14.105 1.00 32.42 O ATOM 0 H GLY A 13 -4.073 9.697 -12.308 1.00 33.31 H new ATOM 0 HA2 GLY A 13 -4.269 6.760 -12.639 1.00 23.20 H new ATOM 0 HA3 GLY A 13 -5.168 7.972 -13.530 1.00 23.20 H new ATOM 221 N LYS A 14 -3.294 8.620 -15.151 1.00 14.45 N ATOM 222 CA LYS A 14 -2.341 8.713 -16.250 1.00 53.31 C ATOM 223 C LYS A 14 -1.023 9.318 -15.778 1.00 12.42 C ATOM 224 O LYS A 14 0.045 8.975 -16.282 1.00 71.34 O ATOM 225 CB LYS A 14 -2.923 9.556 -17.387 1.00 14.41 C ATOM 226 CG LYS A 14 -1.913 9.900 -18.468 1.00 14.10 C ATOM 227 CD LYS A 14 -1.580 11.383 -18.468 1.00 63.53 C ATOM 228 CE LYS A 14 -0.088 11.618 -18.649 1.00 40.03 C ATOM 229 NZ LYS A 14 0.522 12.258 -17.451 1.00 52.20 N ATOM 0 H LYS A 14 -4.075 9.273 -15.214 1.00 14.45 H new ATOM 0 HA LYS A 14 -2.147 7.705 -16.616 1.00 53.31 H new ATOM 0 HB2 LYS A 14 -3.756 9.017 -17.838 1.00 14.41 H new ATOM 0 HB3 LYS A 14 -3.328 10.479 -16.973 1.00 14.41 H new ATOM 0 HG2 LYS A 14 -1.002 9.322 -18.314 1.00 14.10 H new ATOM 0 HG3 LYS A 14 -2.310 9.615 -19.442 1.00 14.10 H new ATOM 0 HD2 LYS A 14 -2.128 11.880 -19.269 1.00 63.53 H new ATOM 0 HD3 LYS A 14 -1.909 11.831 -17.530 1.00 63.53 H new ATOM 0 HE2 LYS A 14 0.408 10.668 -18.845 1.00 40.03 H new ATOM 0 HE3 LYS A 14 0.077 12.250 -19.522 1.00 40.03 H new ATOM 0 HZ1 LYS A 14 0.971 13.155 -17.727 1.00 52.20 H new ATOM 0 HZ2 LYS A 14 -0.217 12.444 -16.743 1.00 52.20 H new ATOM 0 HZ3 LYS A 14 1.239 11.623 -17.045 1.00 52.20 H new ATOM 243 N GLY A 15 -1.106 10.221 -14.805 1.00 32.01 N ATOM 244 CA GLY A 15 0.088 10.858 -14.280 1.00 55.02 C ATOM 245 C GLY A 15 1.081 9.858 -13.723 1.00 1.11 C ATOM 246 O GLY A 15 2.234 9.815 -14.149 1.00 5.22 O ATOM 0 H GLY A 15 -1.979 10.523 -14.371 1.00 32.01 H new ATOM 0 HA2 GLY A 15 0.565 11.437 -15.071 1.00 55.02 H new ATOM 0 HA3 GLY A 15 -0.194 11.561 -13.496 1.00 55.02 H new ATOM 250 N GLY A 16 0.633 9.052 -12.765 1.00 62.32 N ATOM 251 CA GLY A 16 1.505 8.060 -12.163 1.00 74.41 C ATOM 252 C GLY A 16 1.995 7.034 -13.166 1.00 21.15 C ATOM 253 O GLY A 16 2.541 5.998 -12.787 1.00 32.34 O ATOM 0 H GLY A 16 -0.317 9.068 -12.395 1.00 62.32 H new ATOM 0 HA2 GLY A 16 2.362 8.560 -11.711 1.00 74.41 H new ATOM 0 HA3 GLY A 16 0.972 7.552 -11.359 1.00 74.41 H new TER 257 GLY A 16