USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 130 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 GLY N :NH3+ -123:sc= 0.154 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 0.0105 (180deg=0) USER MOD Single : A 8 SER OG : rot 83:sc= 1.2 USER MOD Single : A 11 SER OG : rot -113:sc= 0.436 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc=-0.00746 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.528 5.235 1.085 1.00 0.00 N ATOM 2 CA GLY A 1 -12.119 4.350 0.043 1.00 0.00 C ATOM 3 C GLY A 1 -11.581 2.934 0.211 1.00 0.00 C ATOM 4 O GLY A 1 -10.928 2.623 1.208 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.290 5.678 1.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.924 4.672 1.717 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.957 5.975 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.206 4.349 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.875 4.727 -0.950 1.00 0.00 H new ATOM 10 N LEU A 2 -11.857 2.081 -0.769 1.00 0.00 N ATOM 11 CA LEU A 2 -11.395 0.699 -0.719 1.00 0.00 C ATOM 12 C LEU A 2 -9.950 0.606 -1.181 1.00 0.00 C ATOM 13 O LEU A 2 -9.025 0.670 -0.372 1.00 0.00 O ATOM 14 CB LEU A 2 -12.283 -0.184 -1.608 1.00 0.00 C ATOM 15 CG LEU A 2 -11.921 -1.669 -1.427 1.00 0.00 C ATOM 16 CD1 LEU A 2 -13.117 -2.531 -1.834 1.00 0.00 C ATOM 17 CD2 LEU A 2 -10.716 -2.043 -2.308 1.00 0.00 C ATOM 0 H LEU A 2 -12.395 2.320 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.458 0.349 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.332 -0.026 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.160 0.102 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.665 -1.842 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.866 -3.584 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.974 -2.284 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.365 -2.340 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.475 -3.097 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.961 -1.864 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.857 -1.433 -2.027 1.00 0.00 H new ATOM 29 N PHE A 3 -9.759 0.445 -2.483 1.00 0.00 N ATOM 30 CA PHE A 3 -8.418 0.336 -3.026 1.00 0.00 C ATOM 31 C PHE A 3 -7.566 1.500 -2.542 1.00 0.00 C ATOM 32 O PHE A 3 -6.363 1.354 -2.336 1.00 0.00 O ATOM 33 CB PHE A 3 -8.469 0.308 -4.556 1.00 0.00 C ATOM 34 CG PHE A 3 -8.515 -1.128 -5.026 1.00 0.00 C ATOM 35 CD1 PHE A 3 -7.391 -1.948 -4.873 1.00 0.00 C ATOM 36 CD2 PHE A 3 -9.679 -1.638 -5.612 1.00 0.00 C ATOM 37 CE1 PHE A 3 -7.430 -3.279 -5.308 1.00 0.00 C ATOM 38 CE2 PHE A 3 -9.719 -2.968 -6.048 1.00 0.00 C ATOM 39 CZ PHE A 3 -8.594 -3.788 -5.896 1.00 0.00 C ATOM 0 H PHE A 3 -10.508 0.388 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 3 -7.968 -0.594 -2.679 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -9.346 0.848 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.595 0.811 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.493 -1.554 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.547 -1.006 -5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -6.563 -3.912 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -10.617 -3.361 -6.501 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.624 -4.814 -6.233 1.00 0.00 H new ATOM 49 N ASP A 4 -8.200 2.649 -2.345 1.00 0.00 N ATOM 50 CA ASP A 4 -7.481 3.819 -1.865 1.00 0.00 C ATOM 51 C ASP A 4 -6.648 3.443 -0.648 1.00 0.00 C ATOM 52 O ASP A 4 -5.589 4.020 -0.403 1.00 0.00 O ATOM 53 CB ASP A 4 -8.467 4.929 -1.495 1.00 0.00 C ATOM 54 CG ASP A 4 -9.050 5.551 -2.759 1.00 0.00 C ATOM 55 OD1 ASP A 4 -8.721 5.079 -3.834 1.00 0.00 O ATOM 56 OD2 ASP A 4 -9.819 6.490 -2.632 1.00 0.00 O ATOM 0 H ASP A 4 -9.196 2.794 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.824 4.181 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.268 4.524 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.962 5.693 -0.903 1.00 0.00 H new ATOM 61 N LYS A 5 -7.133 2.459 0.108 1.00 0.00 N ATOM 62 CA LYS A 5 -6.421 2.003 1.295 1.00 0.00 C ATOM 63 C LYS A 5 -5.338 1.000 0.908 1.00 0.00 C ATOM 64 O LYS A 5 -4.284 0.937 1.541 1.00 0.00 O ATOM 65 CB LYS A 5 -7.402 1.357 2.275 1.00 0.00 C ATOM 66 CG LYS A 5 -6.727 1.185 3.637 1.00 0.00 C ATOM 67 CD LYS A 5 -7.723 0.582 4.633 1.00 0.00 C ATOM 68 CE LYS A 5 -7.990 -0.886 4.281 1.00 0.00 C ATOM 69 NZ LYS A 5 -8.529 -1.592 5.478 1.00 0.00 N ATOM 0 H LYS A 5 -8.007 1.968 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.950 2.862 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.293 1.977 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.728 0.389 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.855 0.538 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.371 2.148 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.327 0.656 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.656 1.145 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.700 -0.950 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.069 -1.365 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.711 -2.588 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.836 -1.541 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.417 -1.140 5.777 1.00 0.00 H new ATOM 83 N LEU A 6 -5.600 0.226 -0.142 1.00 0.00 N ATOM 84 CA LEU A 6 -4.633 -0.762 -0.609 1.00 0.00 C ATOM 85 C LEU A 6 -3.594 -0.090 -1.497 1.00 0.00 C ATOM 86 O LEU A 6 -2.430 -0.489 -1.521 1.00 0.00 O ATOM 87 CB LEU A 6 -5.336 -1.863 -1.407 1.00 0.00 C ATOM 88 CG LEU A 6 -6.138 -2.768 -0.468 1.00 0.00 C ATOM 89 CD1 LEU A 6 -7.100 -1.923 0.371 1.00 0.00 C ATOM 90 CD2 LEU A 6 -6.938 -3.775 -1.299 1.00 0.00 C ATOM 0 H LEU A 6 -6.465 0.263 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.146 -1.204 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.999 -1.418 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.600 -2.454 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.454 -3.298 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.668 -2.572 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.532 -1.204 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.786 -1.390 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.511 -4.422 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.619 -3.241 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.254 -4.381 -1.894 1.00 0.00 H new ATOM 102 N LYS A 7 -4.027 0.932 -2.228 1.00 0.00 N ATOM 103 CA LYS A 7 -3.129 1.654 -3.119 1.00 0.00 C ATOM 104 C LYS A 7 -2.208 2.571 -2.314 1.00 0.00 C ATOM 105 O LYS A 7 -1.136 2.953 -2.783 1.00 0.00 O ATOM 106 CB LYS A 7 -3.946 2.483 -4.127 1.00 0.00 C ATOM 107 CG LYS A 7 -3.705 1.971 -5.553 1.00 0.00 C ATOM 108 CD LYS A 7 -4.404 0.620 -5.743 1.00 0.00 C ATOM 109 CE LYS A 7 -3.788 -0.111 -6.939 1.00 0.00 C ATOM 110 NZ LYS A 7 -4.437 -1.444 -7.095 1.00 0.00 N ATOM 0 H LYS A 7 -4.987 1.276 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.518 0.933 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.007 2.421 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.664 3.534 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.084 2.692 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.636 1.867 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.301 0.016 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.471 0.771 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.920 0.478 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.715 -0.232 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.755 -2.192 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.256 -1.508 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.754 -1.563 -8.078 1.00 0.00 H new ATOM 124 N SER A 8 -2.634 2.922 -1.103 1.00 0.00 N ATOM 125 CA SER A 8 -1.838 3.796 -0.248 1.00 0.00 C ATOM 126 C SER A 8 -0.767 3.000 0.491 1.00 0.00 C ATOM 127 O SER A 8 0.332 3.499 0.737 1.00 0.00 O ATOM 128 CB SER A 8 -2.742 4.497 0.766 1.00 0.00 C ATOM 129 OG SER A 8 -3.561 5.441 0.089 1.00 0.00 O ATOM 0 H SER A 8 -3.518 2.617 -0.695 1.00 0.00 H new ATOM 0 HA SER A 8 -1.350 4.539 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.362 3.766 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.139 4.998 1.523 1.00 0.00 H new ATOM 0 HG SER A 8 -4.338 4.984 -0.295 1.00 0.00 H new ATOM 135 N LEU A 9 -1.092 1.761 0.841 1.00 0.00 N ATOM 136 CA LEU A 9 -0.149 0.904 1.553 1.00 0.00 C ATOM 137 C LEU A 9 0.975 0.455 0.620 1.00 0.00 C ATOM 138 O LEU A 9 2.120 0.302 1.042 1.00 0.00 O ATOM 139 CB LEU A 9 -0.884 -0.324 2.113 1.00 0.00 C ATOM 140 CG LEU A 9 -1.149 -0.144 3.615 1.00 0.00 C ATOM 141 CD1 LEU A 9 -2.301 -1.055 4.043 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.109 -0.512 4.410 1.00 0.00 C ATOM 0 H LEU A 9 -1.995 1.329 0.645 1.00 0.00 H new ATOM 0 HA LEU A 9 0.287 1.471 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.827 -0.465 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.288 -1.221 1.946 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.411 0.896 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.489 -0.927 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.199 -0.794 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.037 -2.094 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.083 -0.383 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.374 -1.551 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.932 0.136 4.109 1.00 0.00 H new ATOM 154 N VAL A 10 0.634 0.243 -0.646 1.00 0.00 N ATOM 155 CA VAL A 10 1.620 -0.193 -1.631 1.00 0.00 C ATOM 156 C VAL A 10 2.354 1.004 -2.226 1.00 0.00 C ATOM 157 O VAL A 10 3.456 0.867 -2.759 1.00 0.00 O ATOM 158 CB VAL A 10 0.922 -0.977 -2.746 1.00 0.00 C ATOM 159 CG1 VAL A 10 0.129 -0.015 -3.636 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.972 -1.703 -3.590 1.00 0.00 C ATOM 0 H VAL A 10 -0.310 0.364 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 10 2.348 -0.834 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 10 0.240 -1.704 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.366 -0.577 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.619 0.503 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.807 0.715 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.477 -2.262 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.653 -0.974 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.534 -2.391 -2.958 1.00 0.00 H new ATOM 170 N SER A 11 1.733 2.174 -2.136 1.00 0.00 N ATOM 171 CA SER A 11 2.330 3.396 -2.672 1.00 0.00 C ATOM 172 C SER A 11 2.848 4.284 -1.545 1.00 0.00 C ATOM 173 O SER A 11 2.541 5.475 -1.491 1.00 0.00 O ATOM 174 CB SER A 11 1.292 4.164 -3.489 1.00 0.00 C ATOM 175 OG SER A 11 0.385 4.813 -2.608 1.00 0.00 O ATOM 0 H SER A 11 0.820 2.305 -1.699 1.00 0.00 H new ATOM 0 HA SER A 11 3.168 3.117 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.785 4.898 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.753 3.482 -4.146 1.00 0.00 H new ATOM 0 HG SER A 11 -0.503 4.407 -2.696 1.00 0.00 H new ATOM 181 N ASP A 12 3.637 3.700 -0.649 1.00 0.00 N ATOM 182 CA ASP A 12 4.193 4.452 0.470 1.00 0.00 C ATOM 183 C ASP A 12 5.355 3.690 1.102 1.00 0.00 C ATOM 184 O ASP A 12 5.548 3.725 2.317 1.00 0.00 O ATOM 185 CB ASP A 12 3.106 4.707 1.521 1.00 0.00 C ATOM 186 CG ASP A 12 2.238 5.890 1.102 1.00 0.00 C ATOM 187 OD1 ASP A 12 2.598 7.008 1.431 1.00 0.00 O ATOM 188 OD2 ASP A 12 1.228 5.660 0.459 1.00 0.00 O ATOM 0 H ASP A 12 3.904 2.716 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 12 4.563 5.407 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.488 3.817 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.565 4.908 2.489 1.00 0.00 H new ATOM 193 N ASP A 13 6.129 3.001 0.266 1.00 0.00 N ATOM 194 CA ASP A 13 7.273 2.231 0.747 1.00 0.00 C ATOM 195 C ASP A 13 8.579 2.868 0.282 1.00 0.00 C ATOM 196 O ASP A 13 9.590 2.186 0.119 1.00 0.00 O ATOM 197 CB ASP A 13 7.192 0.796 0.226 1.00 0.00 C ATOM 198 CG ASP A 13 6.076 0.043 0.942 1.00 0.00 C ATOM 199 OD1 ASP A 13 5.099 0.677 1.306 1.00 0.00 O ATOM 200 OD2 ASP A 13 6.215 -1.156 1.116 1.00 0.00 O ATOM 0 H ASP A 13 5.986 2.960 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 13 7.251 2.224 1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.008 0.800 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.144 0.289 0.384 1.00 0.00 H new ATOM 205 N LYS A 14 8.550 4.180 0.069 1.00 0.00 N ATOM 206 CA LYS A 14 9.738 4.898 -0.378 1.00 0.00 C ATOM 207 C LYS A 14 10.885 4.704 0.609 1.00 0.00 C ATOM 208 O LYS A 14 10.789 5.094 1.773 1.00 0.00 O ATOM 209 CB LYS A 14 9.423 6.391 -0.521 1.00 0.00 C ATOM 210 CG LYS A 14 8.929 6.948 0.819 1.00 0.00 C ATOM 211 CD LYS A 14 8.126 8.236 0.584 1.00 0.00 C ATOM 212 CE LYS A 14 6.660 7.891 0.301 1.00 0.00 C ATOM 213 NZ LYS A 14 5.876 9.149 0.150 1.00 0.00 N ATOM 0 H LYS A 14 7.723 4.764 0.198 1.00 0.00 H new ATOM 0 HA LYS A 14 10.040 4.499 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.313 6.931 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.664 6.540 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.307 6.208 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.777 7.152 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.194 8.882 1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.547 8.790 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.585 7.291 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.252 7.291 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.881 8.917 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.939 9.705 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.261 9.705 -0.640 1.00 0.00 H new ATOM 227 N LYS A 15 11.970 4.097 0.135 1.00 0.00 N ATOM 228 CA LYS A 15 13.134 3.852 0.982 1.00 0.00 C ATOM 229 C LYS A 15 12.702 3.420 2.380 1.00 0.00 C ATOM 230 O LYS A 15 11.590 2.937 2.513 1.00 0.00 O ATOM 231 CB LYS A 15 13.991 5.118 1.078 1.00 0.00 C ATOM 232 CG LYS A 15 14.518 5.502 -0.314 1.00 0.00 C ATOM 233 CD LYS A 15 13.559 6.497 -0.982 1.00 0.00 C ATOM 234 CE LYS A 15 13.901 7.921 -0.540 1.00 0.00 C ATOM 235 NZ LYS A 15 15.124 8.382 -1.255 1.00 0.00 N ATOM 236 OXT LYS A 15 13.492 3.577 3.297 1.00 0.00 O ATOM 0 H LYS A 15 12.068 3.767 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 15 13.721 3.051 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.401 5.936 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.826 4.951 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.511 5.944 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.619 4.610 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.633 6.415 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.529 6.260 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.067 8.590 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.064 7.950 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.170 9.421 -1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.967 7.987 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.090 8.060 -2.243 1.00 0.00 H new TER 250 LYS A 15