USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 164 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= -7.08! C(o=-7.1!,f=-8.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.157 -1.331 -6.420 1.00 0.00 N ATOM 38 CA LEU A 3 0.483 -2.529 -7.174 1.00 0.00 C ATOM 39 C LEU A 3 1.829 -2.333 -7.875 1.00 0.00 C ATOM 40 O LEU A 3 2.168 -3.078 -8.794 1.00 0.00 O ATOM 41 CB LEU A 3 -0.659 -2.892 -8.125 1.00 0.00 C ATOM 42 CG LEU A 3 -1.930 -3.437 -7.469 1.00 0.00 C ATOM 43 CD1 LEU A 3 -1.720 -4.869 -6.974 1.00 0.00 C ATOM 44 CD2 LEU A 3 -2.412 -2.509 -6.352 1.00 0.00 C ATOM 0 HA LEU A 3 0.592 -3.383 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.923 -2.004 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.293 -3.634 -8.834 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.717 -3.469 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.638 -5.233 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.459 -5.510 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.914 -4.886 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.316 -2.920 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.636 -2.422 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.627 -1.524 -6.765 1.00 0.00 H new ATOM 56 N ARG A 4 2.559 -1.327 -7.417 1.00 0.00 N ATOM 57 CA ARG A 4 3.860 -1.025 -7.989 1.00 0.00 C ATOM 58 C ARG A 4 4.692 -2.302 -8.121 1.00 0.00 C ATOM 59 O ARG A 4 5.274 -2.561 -9.172 1.00 0.00 O ATOM 60 CB ARG A 4 4.620 -0.015 -7.126 1.00 0.00 C ATOM 61 CG ARG A 4 3.767 1.226 -6.854 1.00 0.00 C ATOM 62 CD ARG A 4 4.580 2.301 -6.131 1.00 0.00 C ATOM 63 NE ARG A 4 5.425 3.034 -7.099 1.00 0.00 N ATOM 64 CZ ARG A 4 6.239 4.046 -6.771 1.00 0.00 C ATOM 65 NH1 ARG A 4 6.323 4.452 -5.497 1.00 0.00 N ATOM 66 NH2 ARG A 4 6.970 4.653 -7.717 1.00 0.00 N ATOM 0 H ARG A 4 2.274 -0.710 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 4 3.696 -0.592 -8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.904 -0.479 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.542 0.276 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.387 1.624 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.902 0.952 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.910 2.994 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.205 1.842 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 4 5.385 2.751 -8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.767 3.990 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.943 5.223 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.906 4.344 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.590 5.424 -7.467 1.00 0.00 H new ATOM 80 N ARG A 5 4.721 -3.065 -7.038 1.00 0.00 N ATOM 81 CA ARG A 5 5.473 -4.308 -7.019 1.00 0.00 C ATOM 82 C ARG A 5 4.876 -5.304 -8.017 1.00 0.00 C ATOM 83 O ARG A 5 5.596 -6.120 -8.590 1.00 0.00 O ATOM 84 CB ARG A 5 5.470 -4.933 -5.623 1.00 0.00 C ATOM 85 CG ARG A 5 4.079 -4.854 -4.989 1.00 0.00 C ATOM 86 CD ARG A 5 3.734 -6.154 -4.260 1.00 0.00 C ATOM 87 NE ARG A 5 3.005 -5.854 -3.008 1.00 0.00 N ATOM 88 CZ ARG A 5 1.757 -5.369 -2.963 1.00 0.00 C ATOM 89 NH1 ARG A 5 1.091 -5.127 -4.100 1.00 0.00 N ATOM 90 NH2 ARG A 5 1.174 -5.126 -1.781 1.00 0.00 N ATOM 0 H ARG A 5 4.236 -2.846 -6.168 1.00 0.00 H new ATOM 0 HA ARG A 5 6.501 -4.078 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.786 -5.974 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.192 -4.419 -4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.041 -4.019 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.335 -4.657 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.124 -6.790 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.646 -6.708 -4.036 1.00 0.00 H new ATOM 0 HE ARG A 5 3.483 -6.027 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.534 -5.312 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.141 -4.758 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.681 -5.310 -0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.224 -4.757 -1.747 1.00 0.00 H new ATOM 104 N ILE A 6 3.567 -5.203 -8.193 1.00 0.00 N ATOM 105 CA ILE A 6 2.866 -6.084 -9.111 1.00 0.00 C ATOM 106 C ILE A 6 2.987 -5.533 -10.533 1.00 0.00 C ATOM 107 O ILE A 6 3.242 -6.284 -11.474 1.00 0.00 O ATOM 108 CB ILE A 6 1.421 -6.294 -8.654 1.00 0.00 C ATOM 109 CG1 ILE A 6 1.368 -6.755 -7.196 1.00 0.00 C ATOM 110 CG2 ILE A 6 0.685 -7.258 -9.587 1.00 0.00 C ATOM 111 CD1 ILE A 6 0.924 -8.215 -7.098 1.00 0.00 C ATOM 0 H ILE A 6 2.974 -4.525 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 6 3.323 -7.074 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 6 0.904 -5.336 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.350 -6.639 -6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.678 -6.123 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.340 -7.390 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.676 -6.850 -10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.194 -8.222 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.895 -8.517 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.069 -8.323 -7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.629 -8.847 -7.638 1.00 0.00 H new ATOM 123 N ILE A 7 2.799 -4.227 -10.646 1.00 0.00 N ATOM 124 CA ILE A 7 2.884 -3.567 -11.937 1.00 0.00 C ATOM 125 C ILE A 7 4.269 -3.811 -12.540 1.00 0.00 C ATOM 126 O ILE A 7 4.384 -4.302 -13.662 1.00 0.00 O ATOM 127 CB ILE A 7 2.523 -2.085 -11.807 1.00 0.00 C ATOM 128 CG1 ILE A 7 1.140 -1.912 -11.176 1.00 0.00 C ATOM 129 CG2 ILE A 7 2.631 -1.374 -13.157 1.00 0.00 C ATOM 130 CD1 ILE A 7 0.484 -0.611 -11.644 1.00 0.00 C ATOM 0 H ILE A 7 2.588 -3.607 -9.864 1.00 0.00 H new ATOM 0 HA ILE A 7 2.155 -3.990 -12.629 1.00 0.00 H new ATOM 0 HB ILE A 7 3.243 -1.615 -11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.507 -2.759 -11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.230 -1.908 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.369 -0.323 -13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.652 -1.453 -13.529 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.948 -1.839 -13.869 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.498 -0.512 -11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.108 0.235 -11.356 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.374 -0.629 -12.728 1.00 0.00 H new ATOM 142 N ARG A 8 5.286 -3.457 -11.768 1.00 0.00 N ATOM 143 CA ARG A 8 6.659 -3.632 -12.211 1.00 0.00 C ATOM 144 C ARG A 8 7.017 -5.119 -12.257 1.00 0.00 C ATOM 145 O ARG A 8 7.942 -5.518 -12.963 1.00 0.00 O ATOM 146 CB ARG A 8 7.635 -2.908 -11.281 1.00 0.00 C ATOM 147 CG ARG A 8 7.913 -3.737 -10.026 1.00 0.00 C ATOM 148 CD ARG A 8 9.416 -3.832 -9.754 1.00 0.00 C ATOM 149 NE ARG A 8 9.651 -4.415 -8.414 1.00 0.00 N ATOM 150 CZ ARG A 8 10.851 -4.471 -7.820 1.00 0.00 C ATOM 151 NH1 ARG A 8 11.931 -3.982 -8.443 1.00 0.00 N ATOM 152 NH2 ARG A 8 10.971 -5.018 -6.602 1.00 0.00 N ATOM 0 H ARG A 8 5.187 -3.050 -10.838 1.00 0.00 H new ATOM 0 HA ARG A 8 6.742 -3.204 -13.210 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.569 -2.715 -11.808 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.223 -1.940 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.412 -3.286 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.498 -4.737 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.894 -4.447 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.868 -2.842 -9.814 1.00 0.00 H new ATOM 0 HE ARG A 8 8.850 -4.798 -7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.840 -3.567 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.844 -4.025 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.149 -5.392 -6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.884 -5.061 -6.150 1.00 0.00 H new ATOM 166 N LYS A 9 6.265 -5.900 -11.494 1.00 0.00 N ATOM 167 CA LYS A 9 6.491 -7.334 -11.438 1.00 0.00 C ATOM 168 C LYS A 9 6.481 -7.903 -12.859 1.00 0.00 C ATOM 169 O LYS A 9 7.489 -8.429 -13.327 1.00 0.00 O ATOM 170 CB LYS A 9 5.481 -8.000 -10.502 1.00 0.00 C ATOM 171 CG LYS A 9 6.154 -8.461 -9.208 1.00 0.00 C ATOM 172 CD LYS A 9 6.627 -9.912 -9.323 1.00 0.00 C ATOM 173 CE LYS A 9 5.470 -10.886 -9.092 1.00 0.00 C ATOM 174 NZ LYS A 9 5.345 -11.821 -10.233 1.00 0.00 N ATOM 0 H LYS A 9 5.499 -5.566 -10.910 1.00 0.00 H new ATOM 0 HA LYS A 9 7.472 -7.549 -11.015 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.679 -7.300 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.024 -8.854 -11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.003 -7.815 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.455 -8.367 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.057 -10.081 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.416 -10.100 -8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.636 -11.446 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.540 -10.332 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.555 -12.475 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.165 -11.283 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.227 -12.362 -10.336 1.00 0.00 H new ATOM 188 N GLY A 10 5.331 -7.777 -13.504 1.00 0.00 N ATOM 189 CA GLY A 10 5.177 -8.273 -14.861 1.00 0.00 C ATOM 190 C GLY A 10 6.337 -7.815 -15.747 1.00 0.00 C ATOM 191 O GLY A 10 6.711 -8.507 -16.693 1.00 0.00 O ATOM 0 H GLY A 10 4.497 -7.339 -13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.130 -9.362 -14.851 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.234 -7.917 -15.277 1.00 0.00 H new ATOM 195 N ILE A 11 6.875 -6.652 -15.409 1.00 0.00 N ATOM 196 CA ILE A 11 7.985 -6.094 -16.162 1.00 0.00 C ATOM 197 C ILE A 11 9.296 -6.694 -15.650 1.00 0.00 C ATOM 198 O ILE A 11 9.979 -7.414 -16.377 1.00 0.00 O ATOM 199 CB ILE A 11 7.949 -4.565 -16.116 1.00 0.00 C ATOM 200 CG1 ILE A 11 6.508 -4.051 -16.095 1.00 0.00 C ATOM 201 CG2 ILE A 11 8.757 -3.962 -17.267 1.00 0.00 C ATOM 202 CD1 ILE A 11 6.463 -2.537 -16.316 1.00 0.00 C ATOM 0 H ILE A 11 6.563 -6.081 -14.624 1.00 0.00 H new ATOM 0 HA ILE A 11 7.902 -6.360 -17.216 1.00 0.00 H new ATOM 0 HB ILE A 11 8.420 -4.240 -15.188 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.928 -4.553 -16.869 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.044 -4.297 -15.140 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.715 -2.874 -17.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.794 -4.289 -17.194 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.338 -4.293 -18.218 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.428 -2.197 -16.297 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.024 -2.037 -15.526 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.906 -2.297 -17.283 1.00 0.00 H new ATOM 214 N HIS A 12 9.608 -6.376 -14.403 1.00 0.00 N ATOM 215 CA HIS A 12 10.824 -6.874 -13.785 1.00 0.00 C ATOM 216 C HIS A 12 11.859 -7.187 -14.868 1.00 0.00 C ATOM 217 O HIS A 12 12.134 -8.352 -15.151 1.00 0.00 O ATOM 218 CB HIS A 12 10.525 -8.077 -12.887 1.00 0.00 C ATOM 219 CG HIS A 12 10.464 -7.744 -11.415 1.00 0.00 C ATOM 220 ND1 HIS A 12 11.206 -8.421 -10.463 1.00 0.00 N ATOM 221 CD2 HIS A 12 9.744 -6.800 -10.744 1.00 0.00 C ATOM 222 CE1 HIS A 12 10.936 -7.900 -9.275 1.00 0.00 C ATOM 223 NE2 HIS A 12 10.030 -6.896 -9.451 1.00 0.00 N ATOM 0 H HIS A 12 9.039 -5.779 -13.803 1.00 0.00 H new ATOM 0 HA HIS A 12 11.247 -6.106 -13.137 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.574 -8.516 -13.190 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.291 -8.836 -13.046 1.00 0.00 H new ATOM 0 HD1 HIS A 12 11.851 -9.190 -10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.058 -6.094 -11.189 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.359 -8.215 -8.333 1.00 0.00 H new ATOM 232 N ILE A 13 12.404 -6.125 -15.444 1.00 0.00 N ATOM 233 CA ILE A 13 13.402 -6.272 -16.490 1.00 0.00 C ATOM 234 C ILE A 13 14.711 -5.622 -16.034 1.00 0.00 C ATOM 235 O ILE A 13 15.771 -6.242 -16.101 1.00 0.00 O ATOM 236 CB ILE A 13 12.873 -5.723 -17.816 1.00 0.00 C ATOM 237 CG1 ILE A 13 11.535 -5.008 -17.619 1.00 0.00 C ATOM 238 CG2 ILE A 13 12.782 -6.829 -18.870 1.00 0.00 C ATOM 239 CD1 ILE A 13 11.120 -4.260 -18.888 1.00 0.00 C ATOM 0 H ILE A 13 12.174 -5.160 -15.206 1.00 0.00 H new ATOM 0 HA ILE A 13 13.614 -7.326 -16.670 1.00 0.00 H new ATOM 0 HB ILE A 13 13.582 -4.983 -18.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.767 -5.734 -17.353 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.612 -4.307 -16.788 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.403 -6.412 -19.803 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.772 -7.254 -19.038 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.106 -7.610 -18.521 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.166 -3.761 -18.720 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.879 -3.518 -19.138 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.020 -4.968 -19.711 1.00 0.00 H new ATOM 251 N ILE A 14 14.593 -4.383 -15.581 1.00 0.00 N ATOM 252 CA ILE A 14 15.753 -3.643 -15.115 1.00 0.00 C ATOM 253 C ILE A 14 16.521 -4.493 -14.101 1.00 0.00 C ATOM 254 O ILE A 14 17.730 -4.332 -13.939 1.00 0.00 O ATOM 255 CB ILE A 14 15.334 -2.273 -14.577 1.00 0.00 C ATOM 256 CG1 ILE A 14 14.577 -1.475 -15.640 1.00 0.00 C ATOM 257 CG2 ILE A 14 16.541 -1.505 -14.035 1.00 0.00 C ATOM 258 CD1 ILE A 14 15.509 -0.497 -16.359 1.00 0.00 C ATOM 0 H ILE A 14 13.712 -3.873 -15.527 1.00 0.00 H new ATOM 0 HA ILE A 14 16.433 -3.441 -15.942 1.00 0.00 H new ATOM 0 HB ILE A 14 14.650 -2.428 -13.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.132 -2.158 -16.364 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.758 -0.927 -15.174 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.216 -0.535 -13.659 1.00 0.00 H new ATOM 0 HG22 ILE A 14 17.000 -2.073 -13.226 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.268 -1.359 -14.834 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.946 0.058 -17.109 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.933 0.199 -15.636 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.313 -1.051 -16.844 1.00 0.00 H new ATOM 270 N LYS A 15 15.787 -5.380 -13.444 1.00 0.00 N ATOM 271 CA LYS A 15 16.384 -6.256 -12.450 1.00 0.00 C ATOM 272 C LYS A 15 17.194 -7.345 -13.157 1.00 0.00 C ATOM 273 O LYS A 15 18.148 -7.878 -12.593 1.00 0.00 O ATOM 274 CB LYS A 15 15.313 -6.802 -11.504 1.00 0.00 C ATOM 275 CG LYS A 15 14.739 -5.689 -10.625 1.00 0.00 C ATOM 276 CD LYS A 15 14.822 -4.334 -11.331 1.00 0.00 C ATOM 277 CE LYS A 15 14.324 -3.210 -10.420 1.00 0.00 C ATOM 278 NZ LYS A 15 15.356 -2.158 -10.285 1.00 0.00 N ATOM 0 H LYS A 15 14.785 -5.511 -13.581 1.00 0.00 H new ATOM 0 HA LYS A 15 17.078 -5.700 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.512 -7.263 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.742 -7.582 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.701 -5.913 -10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.286 -5.646 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.852 -4.137 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.226 -4.358 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.409 -2.780 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.076 -3.613 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.002 -1.403 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.219 -2.569 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.573 -1.762 -11.222 1.00 0.00 H new ATOM 292 N LYS A 16 16.783 -7.643 -14.381 1.00 0.00 N ATOM 293 CA LYS A 16 17.458 -8.659 -15.170 1.00 0.00 C ATOM 294 C LYS A 16 18.517 -7.993 -16.052 1.00 0.00 C ATOM 295 O LYS A 16 18.810 -8.474 -17.145 1.00 0.00 O ATOM 296 CB LYS A 16 16.441 -9.492 -15.953 1.00 0.00 C ATOM 297 CG LYS A 16 15.113 -9.585 -15.200 1.00 0.00 C ATOM 298 CD LYS A 16 13.977 -9.995 -16.140 1.00 0.00 C ATOM 299 CE LYS A 16 12.914 -10.805 -15.395 1.00 0.00 C ATOM 300 NZ LYS A 16 13.138 -12.255 -15.588 1.00 0.00 N ATOM 0 H LYS A 16 15.991 -7.199 -14.845 1.00 0.00 H new ATOM 0 HA LYS A 16 17.979 -9.362 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.277 -9.045 -16.933 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.838 -10.493 -16.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.200 -10.310 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.882 -8.623 -14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.522 -9.106 -16.576 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.377 -10.585 -16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.944 -10.565 -14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.922 -10.533 -15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.408 -12.790 -15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.087 -12.482 -16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.077 -12.513 -15.222 1.00 0.00 H new ATOM 314 N TYR A 17 19.061 -6.898 -15.543 1.00 0.00 N ATOM 315 CA TYR A 17 20.081 -6.161 -16.271 1.00 0.00 C ATOM 316 C TYR A 17 21.321 -5.939 -15.402 1.00 0.00 C ATOM 317 O TYR A 17 21.396 -4.960 -14.661 1.00 0.00 O ATOM 318 CB TYR A 17 19.460 -4.805 -16.610 1.00 0.00 C ATOM 319 CG TYR A 17 18.893 -4.717 -18.028 1.00 0.00 C ATOM 320 CD1 TYR A 17 19.747 -4.617 -19.108 1.00 0.00 C ATOM 321 CD2 TYR A 17 17.528 -4.738 -18.228 1.00 0.00 C ATOM 322 CE1 TYR A 17 19.214 -4.534 -20.443 1.00 0.00 C ATOM 323 CE2 TYR A 17 16.994 -4.656 -19.563 1.00 0.00 C ATOM 324 CZ TYR A 17 17.863 -4.558 -20.605 1.00 0.00 C ATOM 325 OH TYR A 17 17.360 -4.480 -21.865 1.00 0.00 O ATOM 0 H TYR A 17 18.815 -6.503 -14.635 1.00 0.00 H new ATOM 0 HA TYR A 17 20.393 -6.711 -17.159 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.663 -4.594 -15.897 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.215 -4.029 -16.483 1.00 0.00 H new ATOM 0 HD1 TYR A 17 20.815 -4.601 -18.951 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.860 -4.816 -17.383 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.871 -4.455 -21.296 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.928 -4.672 -19.733 1.00 0.00 H new ATOM 0 HH TYR A 17 16.381 -4.510 -21.829 1.00 0.00 H new