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+ 162:sc= 1.18 (180deg=0.719) USER MOD Single : A 6 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.13) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.23) USER MOD Single : A 14 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.0021) USER MOD Single : A 15 GLN : amide:sc= 1.01 K(o=1,f=-0.9) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.746) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.072 3.824 -10.787 1.00 1.00 N ATOM 2 CA ASP A 1 -1.052 2.955 -11.089 1.00 1.00 C ATOM 3 C ASP A 1 -1.995 2.841 -9.889 1.00 1.00 C ATOM 4 O ASP A 1 -1.643 3.237 -8.779 1.00 1.00 O ATOM 5 CB ASP A 1 -0.452 1.578 -11.384 1.00 1.00 C ATOM 6 CG ASP A 1 0.474 1.523 -12.601 1.00 1.00 C ATOM 7 OD1 ASP A 1 1.259 2.483 -12.759 1.00 1.00 O ATOM 8 OD2 ASP A 1 0.375 0.524 -13.344 1.00 1.00 O ATOM 0 H1 ASP A 1 0.836 3.654 -11.471 1.00 1.00 H new ATOM 0 H2 ASP A 1 -0.231 4.817 -10.847 1.00 1.00 H new ATOM 0 H3 ASP A 1 0.417 3.624 -9.826 1.00 1.00 H new ATOM 0 HA ASP A 1 -1.628 3.349 -11.926 1.00 1.00 H new ATOM 0 HB2 ASP A 1 0.104 1.246 -10.508 1.00 1.00 H new ATOM 0 HB3 ASP A 1 -1.266 0.868 -11.533 1.00 1.00 H new ATOM 15 N ALA A 2 -3.174 2.297 -10.154 1.00 1.00 N ATOM 16 CA ALA A 2 -4.105 1.975 -9.086 1.00 1.00 C ATOM 17 C ALA A 2 -3.550 0.809 -8.265 1.00 1.00 C ATOM 18 O ALA A 2 -3.575 0.844 -7.036 1.00 1.00 O ATOM 19 CB ALA A 2 -5.479 1.665 -9.684 1.00 1.00 C ATOM 0 H ALA A 2 -3.505 2.071 -11.092 1.00 1.00 H new ATOM 0 HA ALA A 2 -4.226 2.824 -8.413 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -6.178 1.423 -8.883 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -5.842 2.534 -10.232 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -5.397 0.816 -10.363 1.00 1.00 H new ATOM 25 N GLU A 3 -3.062 -0.195 -8.978 1.00 1.00 N ATOM 26 CA GLU A 3 -2.545 -1.390 -8.331 1.00 1.00 C ATOM 27 C GLU A 3 -1.413 -1.025 -7.369 1.00 1.00 C ATOM 28 O GLU A 3 -1.368 -1.517 -6.243 1.00 1.00 O ATOM 29 CB GLU A 3 -2.076 -2.414 -9.367 1.00 1.00 C ATOM 30 CG GLU A 3 -1.721 -3.744 -8.700 1.00 1.00 C ATOM 31 CD GLU A 3 -1.537 -4.849 -9.743 1.00 1.00 C ATOM 32 OE1 GLU A 3 -0.606 -4.704 -10.564 1.00 1.00 O ATOM 33 OE2 GLU A 3 -2.332 -5.812 -9.695 1.00 1.00 O ATOM 0 H GLU A 3 -3.013 -0.206 -9.997 1.00 1.00 H new ATOM 0 HA GLU A 3 -3.351 -1.846 -7.756 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -2.860 -2.572 -10.108 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -1.207 -2.027 -9.899 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -0.805 -3.631 -8.120 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -2.509 -4.026 -8.001 1.00 1.00 H new ATOM 40 N PHE A 4 -0.526 -0.165 -7.849 1.00 1.00 N ATOM 41 CA PHE A 4 0.599 0.278 -7.042 1.00 1.00 C ATOM 42 C PHE A 4 0.121 0.897 -5.728 1.00 1.00 C ATOM 43 O PHE A 4 0.665 0.604 -4.665 1.00 1.00 O ATOM 44 CB PHE A 4 1.340 1.342 -7.854 1.00 1.00 C ATOM 45 CG PHE A 4 2.421 2.085 -7.066 1.00 1.00 C ATOM 46 CD1 PHE A 4 3.666 1.551 -6.950 1.00 1.00 C ATOM 47 CD2 PHE A 4 2.136 3.280 -6.482 1.00 1.00 C ATOM 48 CE1 PHE A 4 4.669 2.240 -6.219 1.00 1.00 C ATOM 49 CE2 PHE A 4 3.139 3.969 -5.751 1.00 1.00 C ATOM 50 CZ PHE A 4 4.384 3.435 -5.635 1.00 1.00 C ATOM 0 H PHE A 4 -0.563 0.237 -8.786 1.00 1.00 H new ATOM 0 HA PHE A 4 1.241 -0.570 -6.801 1.00 1.00 H new ATOM 0 HB2 PHE A 4 1.799 0.868 -8.722 1.00 1.00 H new ATOM 0 HB3 PHE A 4 0.617 2.066 -8.231 1.00 1.00 H new ATOM 0 HD1 PHE A 4 3.892 0.602 -7.414 1.00 1.00 H new ATOM 0 HD2 PHE A 4 1.147 3.704 -6.574 1.00 1.00 H new ATOM 0 HE1 PHE A 4 5.658 1.816 -6.127 1.00 1.00 H new ATOM 0 HE2 PHE A 4 2.913 4.918 -5.287 1.00 1.00 H new ATOM 0 HZ PHE A 4 5.147 3.960 -5.079 1.00 1.00 H new ATOM 60 N ARG A 5 -0.893 1.743 -5.844 1.00 1.00 N ATOM 61 CA ARG A 5 -1.399 2.467 -4.690 1.00 1.00 C ATOM 62 C ARG A 5 -2.080 1.504 -3.716 1.00 1.00 C ATOM 63 O ARG A 5 -2.016 1.694 -2.502 1.00 1.00 O ATOM 64 CB ARG A 5 -2.398 3.546 -5.112 1.00 1.00 C ATOM 65 CG ARG A 5 -1.675 4.783 -5.649 1.00 1.00 C ATOM 66 CD ARG A 5 -2.674 5.826 -6.153 1.00 1.00 C ATOM 67 NE ARG A 5 -3.269 5.380 -7.433 1.00 1.00 N ATOM 68 CZ ARG A 5 -4.279 6.008 -8.051 1.00 1.00 C ATOM 69 NH1 ARG A 5 -4.786 7.134 -7.532 1.00 1.00 N ATOM 70 NH2 ARG A 5 -4.782 5.509 -9.189 1.00 1.00 N ATOM 0 H ARG A 5 -1.377 1.943 -6.719 1.00 1.00 H new ATOM 0 HA ARG A 5 -0.551 2.945 -4.200 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -3.065 3.150 -5.877 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -3.019 3.824 -4.261 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -1.056 5.217 -4.863 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -1.005 4.494 -6.459 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.458 5.979 -5.412 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.174 6.785 -6.290 1.00 1.00 H new ATOM 0 HE ARG A 5 -2.886 4.543 -7.872 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -4.403 7.514 -6.666 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -5.555 7.612 -8.003 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -4.396 4.652 -9.584 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -5.551 5.987 -9.659 1.00 1.00 H new ATOM 84 N HIS A 6 -2.717 0.490 -4.284 1.00 1.00 N ATOM 85 CA HIS A 6 -3.383 -0.520 -3.480 1.00 1.00 C ATOM 86 C HIS A 6 -2.343 -1.309 -2.682 1.00 1.00 C ATOM 87 O HIS A 6 -2.518 -1.542 -1.487 1.00 1.00 O ATOM 88 CB HIS A 6 -4.265 -1.416 -4.353 1.00 1.00 C ATOM 89 CG HIS A 6 -5.471 -0.714 -4.931 1.00 1.00 C ATOM 90 ND1 HIS A 6 -6.194 0.234 -4.230 1.00 1.00 N ATOM 91 CD2 HIS A 6 -6.071 -0.832 -6.150 1.00 1.00 C ATOM 92 CE1 HIS A 6 -7.184 0.660 -5.001 1.00 1.00 C ATOM 93 NE2 HIS A 6 -7.106 -0.002 -6.191 1.00 1.00 N ATOM 0 H HIS A 6 -2.786 0.347 -5.292 1.00 1.00 H new ATOM 0 HA HIS A 6 -4.050 -0.038 -2.765 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -3.664 -1.816 -5.170 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -4.602 -2.266 -3.760 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -5.757 -1.490 -6.947 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -7.923 1.401 -4.734 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -7.739 0.121 -6.982 1.00 1.00 H new ATOM 101 N ASP A 7 -1.284 -1.700 -3.376 1.00 1.00 N ATOM 102 CA ASP A 7 -0.226 -2.476 -2.752 1.00 1.00 C ATOM 103 C ASP A 7 0.439 -1.637 -1.659 1.00 1.00 C ATOM 104 O ASP A 7 0.699 -2.133 -0.563 1.00 1.00 O ATOM 105 CB ASP A 7 0.849 -2.861 -3.771 1.00 1.00 C ATOM 106 CG ASP A 7 0.479 -4.027 -4.690 1.00 1.00 C ATOM 107 OD1 ASP A 7 -0.254 -4.919 -4.210 1.00 1.00 O ATOM 108 OD2 ASP A 7 0.938 -4.001 -5.853 1.00 1.00 O ATOM 0 H ASP A 7 -1.136 -1.494 -4.364 1.00 1.00 H new ATOM 0 HA ASP A 7 -0.671 -3.380 -2.337 1.00 1.00 H new ATOM 0 HB2 ASP A 7 1.074 -1.990 -4.386 1.00 1.00 H new ATOM 0 HB3 ASP A 7 1.763 -3.117 -3.234 1.00 1.00 H new ATOM 113 N SER A 8 0.695 -0.381 -1.994 1.00 1.00 N ATOM 114 CA SER A 8 1.334 0.528 -1.058 1.00 1.00 C ATOM 115 C SER A 8 0.446 0.721 0.173 1.00 1.00 C ATOM 116 O SER A 8 0.945 0.823 1.293 1.00 1.00 O ATOM 117 CB SER A 8 1.630 1.877 -1.716 1.00 1.00 C ATOM 118 OG SER A 8 2.392 2.730 -0.865 1.00 1.00 O ATOM 0 H SER A 8 0.471 0.029 -2.901 1.00 1.00 H new ATOM 0 HA SER A 8 2.283 0.089 -0.748 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.173 1.715 -2.647 1.00 1.00 H new ATOM 0 HB3 SER A 8 0.692 2.368 -1.975 1.00 1.00 H new ATOM 0 HG SER A 8 2.562 3.581 -1.321 1.00 1.00 H new ATOM 124 N GLY A 9 -0.854 0.764 -0.076 1.00 1.00 N ATOM 125 CA GLY A 9 -1.817 0.936 0.999 1.00 1.00 C ATOM 126 C GLY A 9 -1.797 -0.263 1.949 1.00 1.00 C ATOM 127 O GLY A 9 -1.781 -0.093 3.167 1.00 1.00 O ATOM 0 H GLY A 9 -1.264 0.683 -1.007 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -1.591 1.847 1.553 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -2.816 1.057 0.581 1.00 1.00 H new ATOM 131 N TYR A 10 -1.797 -1.448 1.356 1.00 1.00 N ATOM 132 CA TYR A 10 -1.799 -2.674 2.135 1.00 1.00 C ATOM 133 C TYR A 10 -0.501 -2.820 2.932 1.00 1.00 C ATOM 134 O TYR A 10 -0.521 -3.245 4.086 1.00 1.00 O ATOM 135 CB TYR A 10 -1.893 -3.817 1.122 1.00 1.00 C ATOM 136 CG TYR A 10 -1.516 -5.186 1.692 1.00 1.00 C ATOM 137 CD1 TYR A 10 -2.413 -5.875 2.483 1.00 1.00 C ATOM 138 CD2 TYR A 10 -0.280 -5.733 1.413 1.00 1.00 C ATOM 139 CE1 TYR A 10 -2.058 -7.163 3.020 1.00 1.00 C ATOM 140 CE2 TYR A 10 0.075 -7.021 1.950 1.00 1.00 C ATOM 141 CZ TYR A 10 -0.832 -7.673 2.726 1.00 1.00 C ATOM 142 OH TYR A 10 -0.497 -8.890 3.233 1.00 1.00 O ATOM 0 H TYR A 10 -1.796 -1.585 0.345 1.00 1.00 H new ATOM 0 HA TYR A 10 -2.626 -2.676 2.845 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -2.911 -3.864 0.736 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -1.241 -3.595 0.277 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -3.381 -5.448 2.699 1.00 1.00 H new ATOM 0 HD2 TYR A 10 0.421 -5.195 0.792 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -2.750 -7.712 3.642 1.00 1.00 H new ATOM 0 HE2 TYR A 10 1.040 -7.459 1.741 1.00 1.00 H new ATOM 0 HH TYR A 10 0.407 -9.129 2.940 1.00 1.00 H new ATOM 152 N GLU A 11 0.597 -2.460 2.284 1.00 1.00 N ATOM 153 CA GLU A 11 1.903 -2.555 2.913 1.00 1.00 C ATOM 154 C GLU A 11 1.956 -1.674 4.163 1.00 1.00 C ATOM 155 O GLU A 11 2.392 -2.119 5.223 1.00 1.00 O ATOM 156 CB GLU A 11 3.014 -2.181 1.930 1.00 1.00 C ATOM 157 CG GLU A 11 3.358 -3.359 1.016 1.00 1.00 C ATOM 158 CD GLU A 11 4.116 -4.445 1.782 1.00 1.00 C ATOM 159 OE1 GLU A 11 5.362 -4.345 1.823 1.00 1.00 O ATOM 160 OE2 GLU A 11 3.434 -5.349 2.310 1.00 1.00 O ATOM 0 H GLU A 11 0.609 -2.102 1.329 1.00 1.00 H new ATOM 0 HA GLU A 11 2.064 -3.590 3.215 1.00 1.00 H new ATOM 0 HB2 GLU A 11 2.700 -1.329 1.328 1.00 1.00 H new ATOM 0 HB3 GLU A 11 3.903 -1.872 2.481 1.00 1.00 H new ATOM 0 HG2 GLU A 11 2.443 -3.777 0.596 1.00 1.00 H new ATOM 0 HG3 GLU A 11 3.963 -3.010 0.179 1.00 1.00 H new ATOM 167 N VAL A 12 1.506 -0.439 3.996 1.00 1.00 N ATOM 168 CA VAL A 12 1.593 0.540 5.066 1.00 1.00 C ATOM 169 C VAL A 12 0.651 0.133 6.201 1.00 1.00 C ATOM 170 O VAL A 12 0.926 0.406 7.369 1.00 1.00 O ATOM 171 CB VAL A 12 1.302 1.939 4.520 1.00 1.00 C ATOM 172 CG1 VAL A 12 1.011 2.922 5.656 1.00 1.00 C ATOM 173 CG2 VAL A 12 2.454 2.438 3.646 1.00 1.00 C ATOM 0 H VAL A 12 1.080 -0.094 3.136 1.00 1.00 H new ATOM 0 HA VAL A 12 2.603 0.569 5.476 1.00 1.00 H new ATOM 0 HB VAL A 12 0.411 1.875 3.895 1.00 1.00 H new ATOM 0 HG11 VAL A 12 0.808 3.909 5.240 1.00 1.00 H new ATOM 0 HG12 VAL A 12 0.143 2.580 6.220 1.00 1.00 H new ATOM 0 HG13 VAL A 12 1.875 2.979 6.318 1.00 1.00 H new ATOM 0 HG21 VAL A 12 2.221 3.435 3.271 1.00 1.00 H new ATOM 0 HG22 VAL A 12 3.369 2.478 4.237 1.00 1.00 H new ATOM 0 HG23 VAL A 12 2.594 1.758 2.806 1.00 1.00 H new ATOM 183 N HIS A 13 -0.441 -0.513 5.819 1.00 1.00 N ATOM 184 CA HIS A 13 -1.451 -0.911 6.784 1.00 1.00 C ATOM 185 C HIS A 13 -0.961 -2.130 7.568 1.00 1.00 C ATOM 186 O HIS A 13 -0.840 -2.078 8.791 1.00 1.00 O ATOM 187 CB HIS A 13 -2.796 -1.150 6.095 1.00 1.00 C ATOM 188 CG HIS A 13 -3.865 -1.703 7.008 1.00 1.00 C ATOM 189 ND1 HIS A 13 -4.988 -2.359 6.536 1.00 1.00 N ATOM 190 CD2 HIS A 13 -3.968 -1.690 8.368 1.00 1.00 C ATOM 191 CE1 HIS A 13 -5.728 -2.720 7.574 1.00 1.00 C ATOM 192 NE2 HIS A 13 -5.095 -2.304 8.708 1.00 1.00 N ATOM 0 H HIS A 13 -0.648 -0.771 4.854 1.00 1.00 H new ATOM 0 HA HIS A 13 -1.613 -0.105 7.499 1.00 1.00 H new ATOM 0 HB2 HIS A 13 -3.147 -0.210 5.670 1.00 1.00 H new ATOM 0 HB3 HIS A 13 -2.649 -1.840 5.264 1.00 1.00 H new ATOM 0 HD2 HIS A 13 -3.254 -1.254 9.052 1.00 1.00 H new ATOM 0 HE1 HIS A 13 -6.668 -3.251 7.530 1.00 1.00 H new ATOM 0 HE2 HIS A 13 -5.432 -2.442 9.661 1.00 1.00 H new ATOM 200 N HIS A 14 -0.692 -3.198 6.831 1.00 1.00 N ATOM 201 CA HIS A 14 -0.446 -4.490 7.448 1.00 1.00 C ATOM 202 C HIS A 14 1.004 -4.560 7.931 1.00 1.00 C ATOM 203 O HIS A 14 1.259 -4.827 9.105 1.00 1.00 O ATOM 204 CB HIS A 14 -0.807 -5.627 6.491 1.00 1.00 C ATOM 205 CG HIS A 14 -2.282 -5.725 6.182 1.00 1.00 C ATOM 206 ND1 HIS A 14 -3.056 -6.809 6.556 1.00 1.00 N ATOM 207 CD2 HIS A 14 -3.115 -4.862 5.532 1.00 1.00 C ATOM 208 CE1 HIS A 14 -4.298 -6.599 6.144 1.00 1.00 C ATOM 209 NE2 HIS A 14 -4.332 -5.392 5.510 1.00 1.00 N ATOM 0 H HIS A 14 -0.639 -3.195 5.812 1.00 1.00 H new ATOM 0 HA HIS A 14 -1.089 -4.609 8.320 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -0.259 -5.491 5.559 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -0.473 -6.571 6.922 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -2.833 -3.910 5.108 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -5.136 -7.266 6.285 1.00 1.00 H new ATOM 0 HE2 HIS A 14 -5.157 -4.966 5.088 1.00 1.00 H new ATOM 217 N GLN A 15 1.917 -4.314 7.002 1.00 1.00 N ATOM 218 CA GLN A 15 3.334 -4.467 7.286 1.00 1.00 C ATOM 219 C GLN A 15 3.901 -3.172 7.870 1.00 1.00 C ATOM 220 O GLN A 15 4.961 -2.709 7.450 1.00 1.00 O ATOM 221 CB GLN A 15 4.102 -4.885 6.030 1.00 1.00 C ATOM 222 CG GLN A 15 4.036 -6.400 5.826 1.00 1.00 C ATOM 223 CD GLN A 15 2.593 -6.861 5.606 1.00 1.00 C ATOM 224 OE1 GLN A 15 1.945 -7.400 6.488 1.00 1.00 O ATOM 225 NE2 GLN A 15 2.129 -6.621 4.383 1.00 1.00 N ATOM 0 H GLN A 15 1.703 -4.010 6.052 1.00 1.00 H new ATOM 0 HA GLN A 15 3.454 -5.259 8.026 1.00 1.00 H new ATOM 0 HB2 GLN A 15 3.685 -4.379 5.159 1.00 1.00 H new ATOM 0 HB3 GLN A 15 5.142 -4.571 6.114 1.00 1.00 H new ATOM 0 HG2 GLN A 15 4.647 -6.682 4.968 1.00 1.00 H new ATOM 0 HG3 GLN A 15 4.455 -6.906 6.696 1.00 1.00 H new ATOM 0 HE21 GLN A 15 2.725 -6.166 3.692 1.00 1.00 H new ATOM 0 HE22 GLN A 15 1.177 -6.892 4.136 1.00 1.00 H new ATOM 234 N LYS A 16 3.170 -2.623 8.829 1.00 1.00 N ATOM 235 CA LYS A 16 3.554 -1.357 9.431 1.00 1.00 C ATOM 236 C LYS A 16 4.847 -1.548 10.227 1.00 1.00 C ATOM 237 O LYS A 16 4.919 -2.558 10.959 1.00 1.00 O ATOM 238 CB LYS A 16 2.401 -0.786 10.259 1.00 1.00 C ATOM 239 CG LYS A 16 2.620 0.700 10.551 1.00 1.00 C ATOM 240 CD LYS A 16 1.539 1.239 11.491 1.00 1.00 C ATOM 241 CE LYS A 16 0.145 1.039 10.894 1.00 1.00 C ATOM 242 NZ LYS A 16 0.031 1.741 9.596 1.00 1.00 N ATOM 243 OXT LYS A 16 5.734 -0.678 10.086 1.00 1.00 O ATOM 0 H LYS A 16 2.314 -3.031 9.204 1.00 1.00 H new ATOM 0 HA LYS A 16 3.760 -0.615 8.660 1.00 1.00 H new ATOM 0 HB2 LYS A 16 1.462 -0.920 9.723 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.314 -1.336 11.196 1.00 1.00 H new ATOM 0 HG2 LYS A 16 3.603 0.845 11.000 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.609 1.263 9.618 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.603 0.731 12.453 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.710 2.299 11.678 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -0.049 -0.025 10.757 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.610 1.414 11.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -0.970 1.934 9.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.555 2.638 9.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 0.428 1.144 8.843 1.00 1.00 H new TER 257 LYS A 16