USER MOD reduce.3.24.130724 H: found=0, std=0, add=120, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 117 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 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.46) USER MOD Single : A 8 SER OG : rot 81:sc= 1.28 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.0492 K(o=0.049,f=-0.88) USER MOD Single : A 15 GLN : amide:sc= 0.475 X(o=0.48,f=-0.005) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.459 1.667 -12.701 1.00 1.00 N ATOM 2 CA ASP A 1 -2.379 2.889 -11.919 1.00 1.00 C ATOM 3 C ASP A 1 -2.779 2.636 -10.464 1.00 1.00 C ATOM 4 O ASP A 1 -1.931 2.641 -9.573 1.00 1.00 O ATOM 5 CB ASP A 1 -3.379 3.860 -12.549 1.00 1.00 C ATOM 6 CG ASP A 1 -3.665 5.119 -11.727 1.00 1.00 C ATOM 7 OD1 ASP A 1 -2.702 5.886 -11.511 1.00 1.00 O ATOM 8 OD2 ASP A 1 -4.839 5.285 -11.333 1.00 1.00 O ATOM 0 H1 ASP A 1 -2.183 1.865 -13.684 1.00 1.00 H new ATOM 0 H2 ASP A 1 -1.818 0.954 -12.298 1.00 1.00 H new ATOM 0 H3 ASP A 1 -3.434 1.306 -12.682 1.00 1.00 H new ATOM 0 HA ASP A 1 -1.361 3.279 -11.920 1.00 1.00 H new ATOM 0 HB2 ASP A 1 -3.003 4.161 -13.527 1.00 1.00 H new ATOM 0 HB3 ASP A 1 -4.318 3.333 -12.716 1.00 1.00 H new ATOM 15 N ALA A 2 -4.072 2.421 -10.268 1.00 1.00 N ATOM 16 CA ALA A 2 -4.635 2.413 -8.929 1.00 1.00 C ATOM 17 C ALA A 2 -4.040 1.247 -8.137 1.00 1.00 C ATOM 18 O ALA A 2 -3.859 1.343 -6.924 1.00 1.00 O ATOM 19 CB ALA A 2 -6.161 2.340 -9.017 1.00 1.00 C ATOM 0 H ALA A 2 -4.746 2.251 -11.015 1.00 1.00 H new ATOM 0 HA ALA A 2 -4.383 3.333 -8.401 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -6.584 2.334 -8.012 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -6.536 3.206 -9.563 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -6.452 1.428 -9.538 1.00 1.00 H new ATOM 25 N GLU A 3 -3.752 0.171 -8.856 1.00 1.00 N ATOM 26 CA GLU A 3 -3.375 -1.078 -8.216 1.00 1.00 C ATOM 27 C GLU A 3 -2.092 -0.891 -7.403 1.00 1.00 C ATOM 28 O GLU A 3 -1.909 -1.532 -6.369 1.00 1.00 O ATOM 29 CB GLU A 3 -3.214 -2.196 -9.248 1.00 1.00 C ATOM 30 CG GLU A 3 -4.454 -2.304 -10.137 1.00 1.00 C ATOM 31 CD GLU A 3 -5.734 -2.284 -9.298 1.00 1.00 C ATOM 32 OE1 GLU A 3 -5.894 -3.220 -8.485 1.00 1.00 O ATOM 33 OE2 GLU A 3 -6.522 -1.334 -9.489 1.00 1.00 O ATOM 0 H GLU A 3 -3.772 0.139 -9.875 1.00 1.00 H new ATOM 0 HA GLU A 3 -4.174 -1.371 -7.535 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -2.336 -2.003 -9.864 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -3.044 -3.144 -8.738 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -4.469 -1.479 -10.849 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -4.410 -3.225 -10.718 1.00 1.00 H new ATOM 40 N PHE A 4 -1.236 -0.011 -7.902 1.00 1.00 N ATOM 41 CA PHE A 4 0.009 0.292 -7.218 1.00 1.00 C ATOM 42 C PHE A 4 -0.255 0.958 -5.867 1.00 1.00 C ATOM 43 O PHE A 4 0.393 0.634 -4.873 1.00 1.00 O ATOM 44 CB PHE A 4 0.784 1.263 -8.110 1.00 1.00 C ATOM 45 CG PHE A 4 2.023 1.866 -7.445 1.00 1.00 C ATOM 46 CD1 PHE A 4 3.210 1.203 -7.491 1.00 1.00 C ATOM 47 CD2 PHE A 4 1.938 3.064 -6.807 1.00 1.00 C ATOM 48 CE1 PHE A 4 4.360 1.762 -6.874 1.00 1.00 C ATOM 49 CE2 PHE A 4 3.088 3.623 -6.189 1.00 1.00 C ATOM 50 CZ PHE A 4 4.275 2.960 -6.236 1.00 1.00 C ATOM 0 H PHE A 4 -1.381 0.502 -8.772 1.00 1.00 H new ATOM 0 HA PHE A 4 0.567 -0.627 -7.036 1.00 1.00 H new ATOM 0 HB2 PHE A 4 1.089 0.742 -9.018 1.00 1.00 H new ATOM 0 HB3 PHE A 4 0.118 2.071 -8.414 1.00 1.00 H new ATOM 0 HD1 PHE A 4 3.278 0.251 -7.997 1.00 1.00 H new ATOM 0 HD2 PHE A 4 0.996 3.590 -6.770 1.00 1.00 H new ATOM 0 HE1 PHE A 4 5.302 1.236 -6.911 1.00 1.00 H new ATOM 0 HE2 PHE A 4 3.020 4.574 -5.682 1.00 1.00 H new ATOM 0 HZ PHE A 4 5.150 3.385 -5.767 1.00 1.00 H new ATOM 60 N ARG A 5 -1.209 1.878 -5.874 1.00 1.00 N ATOM 61 CA ARG A 5 -1.523 2.639 -4.676 1.00 1.00 C ATOM 62 C ARG A 5 -2.317 1.777 -3.693 1.00 1.00 C ATOM 63 O ARG A 5 -2.224 1.966 -2.481 1.00 1.00 O ATOM 64 CB ARG A 5 -2.333 3.891 -5.016 1.00 1.00 C ATOM 65 CG ARG A 5 -1.511 4.863 -5.866 1.00 1.00 C ATOM 66 CD ARG A 5 -2.212 6.218 -5.981 1.00 1.00 C ATOM 67 NE ARG A 5 -3.477 6.071 -6.736 1.00 1.00 N ATOM 68 CZ ARG A 5 -3.557 6.068 -8.073 1.00 1.00 C ATOM 69 NH1 ARG A 5 -2.442 6.148 -8.812 1.00 1.00 N ATOM 70 NH2 ARG A 5 -4.753 5.985 -8.672 1.00 1.00 N ATOM 0 H ARG A 5 -1.774 2.114 -6.690 1.00 1.00 H new ATOM 0 HA ARG A 5 -0.581 2.943 -4.219 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -3.238 3.608 -5.554 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -2.649 4.384 -4.097 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -0.525 4.996 -5.421 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -1.358 4.443 -6.860 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -2.416 6.617 -4.987 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -1.560 6.933 -6.483 1.00 1.00 H new ATOM 0 HE ARG A 5 -4.341 5.965 -6.205 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -1.532 6.211 -8.356 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -2.504 6.146 -9.830 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -5.602 5.924 -8.110 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -4.814 5.983 -9.690 1.00 1.00 H new ATOM 84 N HIS A 6 -3.081 0.849 -4.251 1.00 1.00 N ATOM 85 CA HIS A 6 -3.777 -0.135 -3.440 1.00 1.00 C ATOM 86 C HIS A 6 -2.759 -0.970 -2.661 1.00 1.00 C ATOM 87 O HIS A 6 -2.872 -1.115 -1.444 1.00 1.00 O ATOM 88 CB HIS A 6 -4.708 -0.989 -4.303 1.00 1.00 C ATOM 89 CG HIS A 6 -5.844 -0.217 -4.931 1.00 1.00 C ATOM 90 ND1 HIS A 6 -6.403 0.905 -4.344 1.00 1.00 N ATOM 91 CD2 HIS A 6 -6.518 -0.416 -6.100 1.00 1.00 C ATOM 92 CE1 HIS A 6 -7.369 1.352 -5.132 1.00 1.00 C ATOM 93 NE2 HIS A 6 -7.439 0.532 -6.220 1.00 1.00 N ATOM 0 H HIS A 6 -3.233 0.758 -5.255 1.00 1.00 H new ATOM 0 HA HIS A 6 -4.413 0.371 -2.713 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -4.123 -1.461 -5.092 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -5.122 -1.790 -3.690 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -6.333 -1.210 -6.808 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -7.992 2.214 -4.946 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -8.092 0.631 -6.998 1.00 1.00 H new ATOM 101 N ASP A 7 -1.788 -1.496 -3.393 1.00 1.00 N ATOM 102 CA ASP A 7 -0.793 -2.371 -2.797 1.00 1.00 C ATOM 103 C ASP A 7 0.045 -1.575 -1.794 1.00 1.00 C ATOM 104 O ASP A 7 0.417 -2.092 -0.742 1.00 1.00 O ATOM 105 CB ASP A 7 0.152 -2.934 -3.861 1.00 1.00 C ATOM 106 CG ASP A 7 1.130 -3.998 -3.359 1.00 1.00 C ATOM 107 OD1 ASP A 7 0.641 -4.984 -2.766 1.00 1.00 O ATOM 108 OD2 ASP A 7 2.345 -3.802 -3.579 1.00 1.00 O ATOM 0 H ASP A 7 -1.669 -1.333 -4.393 1.00 1.00 H new ATOM 0 HA ASP A 7 -1.316 -3.192 -2.307 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.445 -3.362 -4.666 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.723 -2.111 -4.291 1.00 1.00 H new ATOM 113 N SER A 8 0.317 -0.329 -2.156 1.00 1.00 N ATOM 114 CA SER A 8 1.058 0.560 -1.278 1.00 1.00 C ATOM 115 C SER A 8 0.313 0.728 0.047 1.00 1.00 C ATOM 116 O SER A 8 0.915 0.648 1.117 1.00 1.00 O ATOM 117 CB SER A 8 1.284 1.922 -1.937 1.00 1.00 C ATOM 118 OG SER A 8 2.066 1.819 -3.123 1.00 1.00 O ATOM 0 H SER A 8 0.037 0.085 -3.045 1.00 1.00 H new ATOM 0 HA SER A 8 2.034 0.114 -1.084 1.00 1.00 H new ATOM 0 HB2 SER A 8 0.321 2.373 -2.176 1.00 1.00 H new ATOM 0 HB3 SER A 8 1.781 2.588 -1.232 1.00 1.00 H new ATOM 0 HG SER A 8 1.494 1.542 -3.869 1.00 1.00 H new ATOM 124 N GLY A 9 -0.987 0.957 -0.067 1.00 1.00 N ATOM 125 CA GLY A 9 -1.821 1.137 1.110 1.00 1.00 C ATOM 126 C GLY A 9 -1.801 -0.112 1.993 1.00 1.00 C ATOM 127 O GLY A 9 -1.675 -0.012 3.212 1.00 1.00 O ATOM 0 H GLY A 9 -1.483 1.022 -0.956 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -1.469 1.996 1.681 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -2.845 1.355 0.805 1.00 1.00 H new ATOM 131 N TYR A 10 -1.928 -1.260 1.343 1.00 1.00 N ATOM 132 CA TYR A 10 -1.948 -2.525 2.056 1.00 1.00 C ATOM 133 C TYR A 10 -0.622 -2.768 2.779 1.00 1.00 C ATOM 134 O TYR A 10 -0.610 -3.141 3.951 1.00 1.00 O ATOM 135 CB TYR A 10 -2.140 -3.607 0.990 1.00 1.00 C ATOM 136 CG TYR A 10 -1.547 -4.965 1.369 1.00 1.00 C ATOM 137 CD1 TYR A 10 -2.129 -5.718 2.368 1.00 1.00 C ATOM 138 CD2 TYR A 10 -0.430 -5.438 0.710 1.00 1.00 C ATOM 139 CE1 TYR A 10 -1.571 -6.997 2.725 1.00 1.00 C ATOM 140 CE2 TYR A 10 0.128 -6.717 1.067 1.00 1.00 C ATOM 141 CZ TYR A 10 -0.470 -7.433 2.056 1.00 1.00 C ATOM 142 OH TYR A 10 0.058 -8.641 2.393 1.00 1.00 O ATOM 0 H TYR A 10 -2.018 -1.340 0.330 1.00 1.00 H new ATOM 0 HA TYR A 10 -2.740 -2.531 2.805 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -3.206 -3.728 0.798 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -1.685 -3.270 0.059 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -3.004 -5.348 2.883 1.00 1.00 H new ATOM 0 HD2 TYR A 10 0.025 -4.849 -0.073 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -2.016 -7.596 3.506 1.00 1.00 H new ATOM 0 HE2 TYR A 10 1.002 -7.099 0.560 1.00 1.00 H new ATOM 0 HH TYR A 10 0.841 -8.824 1.832 1.00 1.00 H new ATOM 152 N GLU A 11 0.462 -2.548 2.050 1.00 1.00 N ATOM 153 CA GLU A 11 1.789 -2.783 2.593 1.00 1.00 C ATOM 154 C GLU A 11 1.994 -1.962 3.868 1.00 1.00 C ATOM 155 O GLU A 11 2.597 -2.440 4.828 1.00 1.00 O ATOM 156 CB GLU A 11 2.869 -2.465 1.557 1.00 1.00 C ATOM 157 CG GLU A 11 3.014 -3.606 0.548 1.00 1.00 C ATOM 158 CD GLU A 11 3.764 -4.790 1.163 1.00 1.00 C ATOM 159 OE1 GLU A 11 5.008 -4.695 1.241 1.00 1.00 O ATOM 160 OE2 GLU A 11 3.076 -5.762 1.542 1.00 1.00 O ATOM 0 H GLU A 11 0.449 -2.210 1.088 1.00 1.00 H new ATOM 0 HA GLU A 11 1.875 -3.840 2.847 1.00 1.00 H new ATOM 0 HB2 GLU A 11 2.616 -1.543 1.034 1.00 1.00 H new ATOM 0 HB3 GLU A 11 3.821 -2.296 2.059 1.00 1.00 H new ATOM 0 HG2 GLU A 11 2.028 -3.929 0.215 1.00 1.00 H new ATOM 0 HG3 GLU A 11 3.548 -3.251 -0.334 1.00 1.00 H new ATOM 167 N VAL A 12 1.481 -0.741 3.836 1.00 1.00 N ATOM 168 CA VAL A 12 1.623 0.159 4.968 1.00 1.00 C ATOM 169 C VAL A 12 0.703 -0.302 6.100 1.00 1.00 C ATOM 170 O VAL A 12 1.116 -0.359 7.257 1.00 1.00 O ATOM 171 CB VAL A 12 1.352 1.600 4.528 1.00 1.00 C ATOM 172 CG1 VAL A 12 1.145 2.513 5.737 1.00 1.00 C ATOM 173 CG2 VAL A 12 2.480 2.120 3.634 1.00 1.00 C ATOM 0 H VAL A 12 0.967 -0.354 3.045 1.00 1.00 H new ATOM 0 HA VAL A 12 2.644 0.135 5.349 1.00 1.00 H new ATOM 0 HB VAL A 12 0.432 1.605 3.944 1.00 1.00 H new ATOM 0 HG11 VAL A 12 0.954 3.531 5.396 1.00 1.00 H new ATOM 0 HG12 VAL A 12 0.293 2.160 6.318 1.00 1.00 H new ATOM 0 HG13 VAL A 12 2.040 2.501 6.360 1.00 1.00 H new ATOM 0 HG21 VAL A 12 2.264 3.146 3.335 1.00 1.00 H new ATOM 0 HG22 VAL A 12 3.421 2.093 4.183 1.00 1.00 H new ATOM 0 HG23 VAL A 12 2.560 1.492 2.746 1.00 1.00 H new ATOM 183 N HIS A 13 -0.528 -0.620 5.727 1.00 1.00 N ATOM 184 CA HIS A 13 -1.549 -0.941 6.710 1.00 1.00 C ATOM 185 C HIS A 13 -1.120 -2.170 7.513 1.00 1.00 C ATOM 186 O HIS A 13 -1.314 -2.222 8.726 1.00 1.00 O ATOM 187 CB HIS A 13 -2.913 -1.118 6.039 1.00 1.00 C ATOM 188 CG HIS A 13 -4.060 -1.267 7.009 1.00 1.00 C ATOM 189 ND1 HIS A 13 -5.308 -1.730 6.630 1.00 1.00 N ATOM 190 CD2 HIS A 13 -4.135 -1.012 8.347 1.00 1.00 C ATOM 191 CE1 HIS A 13 -6.091 -1.747 7.699 1.00 1.00 C ATOM 192 NE2 HIS A 13 -5.362 -1.301 8.762 1.00 1.00 N ATOM 0 H HIS A 13 -0.841 -0.662 4.757 1.00 1.00 H new ATOM 0 HA HIS A 13 -1.658 -0.112 7.410 1.00 1.00 H new ATOM 0 HB2 HIS A 13 -3.104 -0.259 5.396 1.00 1.00 H new ATOM 0 HB3 HIS A 13 -2.878 -1.997 5.395 1.00 1.00 H new ATOM 0 HD2 HIS A 13 -3.332 -0.638 8.964 1.00 1.00 H new ATOM 0 HE1 HIS A 13 -7.125 -2.059 7.724 1.00 1.00 H new ATOM 0 HE2 HIS A 13 -5.704 -1.205 9.718 1.00 1.00 H new ATOM 200 N HIS A 14 -0.544 -3.130 6.804 1.00 1.00 N ATOM 201 CA HIS A 14 -0.174 -4.394 7.416 1.00 1.00 C ATOM 202 C HIS A 14 1.349 -4.537 7.420 1.00 1.00 C ATOM 203 O HIS A 14 1.874 -5.629 7.211 1.00 1.00 O ATOM 204 CB HIS A 14 -0.877 -5.561 6.720 1.00 1.00 C ATOM 205 CG HIS A 14 -2.377 -5.410 6.630 1.00 1.00 C ATOM 206 ND1 HIS A 14 -3.134 -6.017 5.644 1.00 1.00 N ATOM 207 CD2 HIS A 14 -3.251 -4.714 7.413 1.00 1.00 C ATOM 208 CE1 HIS A 14 -4.405 -5.695 5.834 1.00 1.00 C ATOM 209 NE2 HIS A 14 -4.475 -4.887 6.931 1.00 1.00 N ATOM 0 H HIS A 14 -0.325 -3.057 5.811 1.00 1.00 H new ATOM 0 HA HIS A 14 -0.508 -4.411 8.453 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -0.472 -5.667 5.714 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -0.646 -6.482 7.256 1.00 1.00 H new ATOM 0 HD1 HIS A 14 -2.775 -6.612 4.897 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -2.991 -4.123 8.278 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -5.239 -6.016 5.227 1.00 1.00 H new ATOM 217 N GLN A 15 2.016 -3.417 7.660 1.00 1.00 N ATOM 218 CA GLN A 15 3.467 -3.411 7.733 1.00 1.00 C ATOM 219 C GLN A 15 3.946 -4.344 8.847 1.00 1.00 C ATOM 220 O GLN A 15 3.313 -4.440 9.897 1.00 1.00 O ATOM 221 CB GLN A 15 3.999 -1.992 7.940 1.00 1.00 C ATOM 222 CG GLN A 15 3.492 -1.402 9.258 1.00 1.00 C ATOM 223 CD GLN A 15 4.622 -1.301 10.284 1.00 1.00 C ATOM 224 OE1 GLN A 15 5.353 -0.326 10.347 1.00 1.00 O ATOM 225 NE2 GLN A 15 4.725 -2.360 11.082 1.00 1.00 N ATOM 0 H GLN A 15 1.578 -2.508 7.806 1.00 1.00 H new ATOM 0 HA GLN A 15 3.861 -3.777 6.785 1.00 1.00 H new ATOM 0 HB2 GLN A 15 5.089 -2.005 7.939 1.00 1.00 H new ATOM 0 HB3 GLN A 15 3.687 -1.358 7.110 1.00 1.00 H new ATOM 0 HG2 GLN A 15 3.069 -0.413 9.079 1.00 1.00 H new ATOM 0 HG3 GLN A 15 2.690 -2.025 9.655 1.00 1.00 H new ATOM 0 HE21 GLN A 15 4.080 -3.143 10.976 1.00 1.00 H new ATOM 0 HE22 GLN A 15 5.449 -2.389 11.800 1.00 1.00 H new ATOM 234 N LYS A 16 5.061 -5.009 8.579 1.00 1.00 N ATOM 235 CA LYS A 16 5.629 -5.937 9.542 1.00 1.00 C ATOM 236 C LYS A 16 7.139 -6.039 9.317 1.00 1.00 C ATOM 237 O LYS A 16 7.853 -6.204 10.329 1.00 1.00 O ATOM 238 CB LYS A 16 4.905 -7.283 9.479 1.00 1.00 C ATOM 239 CG LYS A 16 5.160 -7.981 8.141 1.00 1.00 C ATOM 240 CD LYS A 16 6.179 -9.110 8.297 1.00 1.00 C ATOM 241 CE LYS A 16 7.030 -9.259 7.033 1.00 1.00 C ATOM 242 NZ LYS A 16 8.229 -8.396 7.111 1.00 1.00 N ATOM 243 OXT LYS A 16 7.544 -5.951 8.137 1.00 1.00 O ATOM 0 H LYS A 16 5.586 -4.923 7.709 1.00 1.00 H new ATOM 0 HA LYS A 16 5.483 -5.570 10.558 1.00 1.00 H new ATOM 0 HB2 LYS A 16 5.243 -7.920 10.296 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.834 -7.131 9.616 1.00 1.00 H new ATOM 0 HG2 LYS A 16 4.224 -8.382 7.752 1.00 1.00 H new ATOM 0 HG3 LYS A 16 5.523 -7.256 7.412 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.824 -8.907 9.152 1.00 1.00 H new ATOM 0 HD3 LYS A 16 5.661 -10.046 8.503 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.331 -10.299 6.911 1.00 1.00 H new ATOM 0 HE3 LYS A 16 6.439 -8.993 6.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.769 -8.470 6.225 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.937 -7.409 7.257 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 8.826 -8.702 7.906 1.00 1.00 H new TER 257 LYS A 16