USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=3 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+ 165:sc= 0 (180deg=-0.0805) USER MOD Single : A 12 HIS : no HE2:sc= -7.25! C(o=-7.2!,f=-8.3!) 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 3.152 -3.410 -4.589 1.00 0.00 N ATOM 38 CA LEU A 3 2.788 -4.025 -5.854 1.00 0.00 C ATOM 39 C LEU A 3 1.510 -4.846 -5.668 1.00 0.00 C ATOM 40 O LEU A 3 1.220 -5.738 -6.464 1.00 0.00 O ATOM 41 CB LEU A 3 3.961 -4.832 -6.415 1.00 0.00 C ATOM 42 CG LEU A 3 5.088 -4.019 -7.056 1.00 0.00 C ATOM 43 CD1 LEU A 3 4.608 -3.329 -8.334 1.00 0.00 C ATOM 44 CD2 LEU A 3 5.684 -3.025 -6.057 1.00 0.00 C ATOM 0 HA LEU A 3 2.571 -3.261 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.384 -5.429 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.574 -5.529 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 3 5.885 -4.706 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.428 -2.758 -8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.270 -4.080 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.784 -2.656 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.483 -2.460 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.907 -2.339 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.087 -3.567 -5.201 1.00 0.00 H new ATOM 56 N ARG A 4 0.780 -4.515 -4.613 1.00 0.00 N ATOM 57 CA ARG A 4 -0.459 -5.211 -4.312 1.00 0.00 C ATOM 58 C ARG A 4 -1.328 -5.314 -5.568 1.00 0.00 C ATOM 59 O ARG A 4 -1.826 -6.390 -5.895 1.00 0.00 O ATOM 60 CB ARG A 4 -1.244 -4.489 -3.216 1.00 0.00 C ATOM 61 CG ARG A 4 -0.367 -4.239 -1.987 1.00 0.00 C ATOM 62 CD ARG A 4 -1.191 -3.665 -0.832 1.00 0.00 C ATOM 63 NE ARG A 4 -2.085 -4.708 -0.281 1.00 0.00 N ATOM 64 CZ ARG A 4 -3.054 -4.471 0.613 1.00 0.00 C ATOM 65 NH1 ARG A 4 -3.260 -3.226 1.064 1.00 0.00 N ATOM 66 NH2 ARG A 4 -3.817 -5.479 1.058 1.00 0.00 N ATOM 0 H ARG A 4 1.023 -3.774 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 4 -0.201 -6.210 -3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.620 -3.540 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.112 -5.085 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.102 -5.172 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.436 -3.548 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.528 -3.293 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.780 -2.817 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.955 -5.667 -0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.679 -2.459 0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.998 -3.046 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.660 -6.427 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.555 -5.298 1.739 1.00 0.00 H new ATOM 80 N ARG A 5 -1.482 -4.181 -6.237 1.00 0.00 N ATOM 81 CA ARG A 5 -2.282 -4.130 -7.449 1.00 0.00 C ATOM 82 C ARG A 5 -1.637 -4.981 -8.546 1.00 0.00 C ATOM 83 O ARG A 5 -2.333 -5.533 -9.397 1.00 0.00 O ATOM 84 CB ARG A 5 -2.432 -2.692 -7.950 1.00 0.00 C ATOM 85 CG ARG A 5 -2.718 -1.735 -6.791 1.00 0.00 C ATOM 86 CD ARG A 5 -3.604 -0.573 -7.246 1.00 0.00 C ATOM 87 NE ARG A 5 -3.530 0.533 -6.266 1.00 0.00 N ATOM 88 CZ ARG A 5 -3.960 1.779 -6.506 1.00 0.00 C ATOM 89 NH1 ARG A 5 -4.497 2.085 -7.695 1.00 0.00 N ATOM 90 NH2 ARG A 5 -3.853 2.720 -5.558 1.00 0.00 N ATOM 0 H ARG A 5 -1.066 -3.291 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.270 -4.524 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.521 -2.385 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.241 -2.639 -8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.208 -2.275 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.780 -1.348 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.283 -0.223 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.635 -0.910 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.126 0.334 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.578 1.369 -8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.824 3.034 -7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.444 2.488 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.181 3.668 -5.742 1.00 0.00 H new ATOM 104 N ILE A 6 -0.316 -5.059 -8.490 1.00 0.00 N ATOM 105 CA ILE A 6 0.430 -5.832 -9.468 1.00 0.00 C ATOM 106 C ILE A 6 0.453 -7.301 -9.040 1.00 0.00 C ATOM 107 O ILE A 6 0.252 -8.194 -9.861 1.00 0.00 O ATOM 108 CB ILE A 6 1.821 -5.231 -9.678 1.00 0.00 C ATOM 109 CG1 ILE A 6 1.730 -3.740 -10.009 1.00 0.00 C ATOM 110 CG2 ILE A 6 2.599 -6.008 -10.743 1.00 0.00 C ATOM 111 CD1 ILE A 6 2.110 -3.477 -11.467 1.00 0.00 C ATOM 0 H ILE A 6 0.257 -4.599 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.060 -5.790 -10.441 1.00 0.00 H new ATOM 0 HB ILE A 6 2.376 -5.320 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.716 -3.384 -9.824 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.391 -3.177 -9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.584 -5.560 -10.873 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.711 -7.045 -10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.057 -5.972 -11.688 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.037 -2.410 -11.675 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.132 -3.812 -11.643 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.432 -4.022 -12.124 1.00 0.00 H new ATOM 123 N ILE A 7 0.700 -7.506 -7.754 1.00 0.00 N ATOM 124 CA ILE A 7 0.751 -8.851 -7.207 1.00 0.00 C ATOM 125 C ILE A 7 -0.584 -9.552 -7.462 1.00 0.00 C ATOM 126 O ILE A 7 -0.619 -10.635 -8.046 1.00 0.00 O ATOM 127 CB ILE A 7 1.154 -8.814 -5.731 1.00 0.00 C ATOM 128 CG1 ILE A 7 2.489 -8.090 -5.546 1.00 0.00 C ATOM 129 CG2 ILE A 7 1.179 -10.222 -5.134 1.00 0.00 C ATOM 130 CD1 ILE A 7 3.222 -8.601 -4.304 1.00 0.00 C ATOM 0 H ILE A 7 0.867 -6.763 -7.075 1.00 0.00 H new ATOM 0 HA ILE A 7 1.520 -9.437 -7.709 1.00 0.00 H new ATOM 0 HB ILE A 7 0.401 -8.246 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.113 -8.239 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.316 -7.018 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.468 -10.167 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.188 -10.669 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.898 -10.835 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.168 -8.070 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.606 -8.429 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.415 -9.669 -4.409 1.00 0.00 H new ATOM 142 N ARG A 8 -1.650 -8.908 -7.012 1.00 0.00 N ATOM 143 CA ARG A 8 -2.985 -9.456 -7.185 1.00 0.00 C ATOM 144 C ARG A 8 -3.392 -9.408 -8.659 1.00 0.00 C ATOM 145 O ARG A 8 -4.266 -10.159 -9.090 1.00 0.00 O ATOM 146 CB ARG A 8 -4.010 -8.682 -6.354 1.00 0.00 C ATOM 147 CG ARG A 8 -4.425 -7.390 -7.061 1.00 0.00 C ATOM 148 CD ARG A 8 -5.948 -7.244 -7.086 1.00 0.00 C ATOM 149 NE ARG A 8 -6.319 -5.883 -7.535 1.00 0.00 N ATOM 150 CZ ARG A 8 -7.565 -5.392 -7.496 1.00 0.00 C ATOM 151 NH1 ARG A 8 -8.568 -6.147 -7.028 1.00 0.00 N ATOM 152 NH2 ARG A 8 -7.808 -4.146 -7.924 1.00 0.00 N ATOM 0 H ARG A 8 -1.617 -8.011 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.965 -10.491 -6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.888 -9.304 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.588 -8.447 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.982 -6.534 -6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.039 -7.389 -8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.382 -7.987 -7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.356 -7.432 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.579 -5.281 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.383 -7.095 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.517 -5.773 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.044 -3.571 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.757 -3.772 -7.894 1.00 0.00 H new ATOM 166 N LYS A 9 -2.739 -8.518 -9.391 1.00 0.00 N ATOM 167 CA LYS A 9 -3.022 -8.363 -10.808 1.00 0.00 C ATOM 168 C LYS A 9 -2.912 -9.724 -11.498 1.00 0.00 C ATOM 169 O LYS A 9 -3.895 -10.233 -12.035 1.00 0.00 O ATOM 170 CB LYS A 9 -2.121 -7.288 -11.420 1.00 0.00 C ATOM 171 CG LYS A 9 -2.921 -6.028 -11.755 1.00 0.00 C ATOM 172 CD LYS A 9 -3.444 -6.077 -13.192 1.00 0.00 C ATOM 173 CE LYS A 9 -2.989 -4.849 -13.984 1.00 0.00 C ATOM 174 NZ LYS A 9 -1.522 -4.875 -14.181 1.00 0.00 N ATOM 0 H LYS A 9 -2.015 -7.897 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.043 -8.012 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.320 -7.040 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.650 -7.675 -12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.757 -5.929 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.292 -5.148 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.087 -6.983 -13.682 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.533 -6.127 -13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.492 -4.826 -14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.275 -3.940 -13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.259 -4.192 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.048 -4.622 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.228 -5.829 -14.471 1.00 0.00 H new ATOM 188 N GLY A 10 -1.708 -10.274 -11.461 1.00 0.00 N ATOM 189 CA GLY A 10 -1.456 -11.566 -12.076 1.00 0.00 C ATOM 190 C GLY A 10 -2.519 -12.587 -11.662 1.00 0.00 C ATOM 191 O GLY A 10 -2.837 -13.500 -12.422 1.00 0.00 O ATOM 0 H GLY A 10 -0.896 -9.849 -11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.450 -11.461 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.469 -11.925 -11.785 1.00 0.00 H new ATOM 195 N ILE A 11 -3.038 -12.397 -10.458 1.00 0.00 N ATOM 196 CA ILE A 11 -4.058 -13.289 -9.934 1.00 0.00 C ATOM 197 C ILE A 11 -5.429 -12.850 -10.451 1.00 0.00 C ATOM 198 O ILE A 11 -6.074 -13.576 -11.206 1.00 0.00 O ATOM 199 CB ILE A 11 -3.971 -13.365 -8.408 1.00 0.00 C ATOM 200 CG1 ILE A 11 -2.520 -13.259 -7.936 1.00 0.00 C ATOM 201 CG2 ILE A 11 -4.655 -14.628 -7.882 1.00 0.00 C ATOM 202 CD1 ILE A 11 -2.397 -13.627 -6.456 1.00 0.00 C ATOM 0 H ILE A 11 -2.771 -11.638 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.894 -14.306 -10.291 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.508 -12.512 -7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.891 -13.920 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.156 -12.244 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.579 -14.657 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.706 -14.620 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.169 -15.508 -8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.355 -13.543 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.009 -12.949 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.739 -14.651 -6.306 1.00 0.00 H new ATOM 214 N HIS A 12 -5.834 -11.663 -10.024 1.00 0.00 N ATOM 215 CA HIS A 12 -7.117 -11.118 -10.435 1.00 0.00 C ATOM 216 C HIS A 12 -8.060 -12.259 -10.820 1.00 0.00 C ATOM 217 O HIS A 12 -8.316 -12.486 -12.001 1.00 0.00 O ATOM 218 CB HIS A 12 -6.938 -10.093 -11.556 1.00 0.00 C ATOM 219 CG HIS A 12 -6.997 -8.657 -11.091 1.00 0.00 C ATOM 220 ND1 HIS A 12 -7.849 -7.722 -11.652 1.00 0.00 N ATOM 221 CD2 HIS A 12 -6.301 -8.008 -10.114 1.00 0.00 C ATOM 222 CE1 HIS A 12 -7.666 -6.565 -11.033 1.00 0.00 C ATOM 223 NE2 HIS A 12 -6.706 -6.744 -10.080 1.00 0.00 N ATOM 0 H HIS A 12 -5.297 -11.063 -9.398 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.572 -10.583 -9.602 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.979 -10.267 -12.044 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.711 -10.253 -12.307 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.506 -7.894 -12.413 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.548 -8.448 -9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.185 -5.642 -11.245 1.00 0.00 H new ATOM 232 N ILE A 13 -8.552 -12.947 -9.800 1.00 0.00 N ATOM 233 CA ILE A 13 -9.461 -14.060 -10.017 1.00 0.00 C ATOM 234 C ILE A 13 -10.803 -13.754 -9.348 1.00 0.00 C ATOM 235 O ILE A 13 -11.856 -13.896 -9.967 1.00 0.00 O ATOM 236 CB ILE A 13 -8.825 -15.371 -9.550 1.00 0.00 C ATOM 237 CG1 ILE A 13 -7.486 -15.114 -8.855 1.00 0.00 C ATOM 238 CG2 ILE A 13 -8.688 -16.358 -10.710 1.00 0.00 C ATOM 239 CD1 ILE A 13 -6.950 -16.392 -8.208 1.00 0.00 C ATOM 0 H ILE A 13 -8.338 -12.755 -8.821 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.657 -14.190 -11.081 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.487 -15.828 -8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.763 -14.738 -9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.609 -14.342 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.233 -17.281 -10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.674 -16.575 -11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.059 -15.922 -11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.998 -16.182 -7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.664 -16.752 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.805 -17.154 -8.974 1.00 0.00 H new ATOM 251 N ILE A 14 -10.720 -13.340 -8.092 1.00 0.00 N ATOM 252 CA ILE A 14 -11.915 -13.013 -7.332 1.00 0.00 C ATOM 253 C ILE A 14 -12.766 -12.024 -8.129 1.00 0.00 C ATOM 254 O ILE A 14 -13.961 -11.880 -7.873 1.00 0.00 O ATOM 255 CB ILE A 14 -11.541 -12.516 -5.934 1.00 0.00 C ATOM 256 CG1 ILE A 14 -10.701 -13.556 -5.189 1.00 0.00 C ATOM 257 CG2 ILE A 14 -12.788 -12.113 -5.144 1.00 0.00 C ATOM 258 CD1 ILE A 14 -11.572 -14.393 -4.249 1.00 0.00 C ATOM 0 H ILE A 14 -9.844 -13.224 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.523 -13.904 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.926 -11.623 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.203 -14.208 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.919 -13.056 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.494 -11.764 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.310 -11.314 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.449 -12.974 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.951 -15.124 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.049 -13.741 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.337 -14.911 -4.827 1.00 0.00 H new ATOM 270 N LYS A 15 -12.118 -11.366 -9.079 1.00 0.00 N ATOM 271 CA LYS A 15 -12.801 -10.394 -9.916 1.00 0.00 C ATOM 272 C LYS A 15 -13.531 -11.123 -11.046 1.00 0.00 C ATOM 273 O LYS A 15 -14.564 -10.657 -11.524 1.00 0.00 O ATOM 274 CB LYS A 15 -11.821 -9.326 -10.405 1.00 0.00 C ATOM 275 CG LYS A 15 -11.547 -9.478 -11.903 1.00 0.00 C ATOM 276 CD LYS A 15 -11.352 -8.113 -12.566 1.00 0.00 C ATOM 277 CE LYS A 15 -12.602 -7.698 -13.344 1.00 0.00 C ATOM 278 NZ LYS A 15 -12.927 -6.278 -13.084 1.00 0.00 N ATOM 0 H LYS A 15 -11.127 -11.487 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.557 -9.860 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.228 -8.335 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.886 -9.404 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.657 -10.090 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.377 -10.001 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.127 -7.365 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.496 -8.151 -13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.441 -7.851 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.443 -8.328 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.778 -6.013 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.101 -6.142 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.130 -5.679 -13.381 1.00 0.00 H new ATOM 292 N LYS A 16 -12.965 -12.254 -11.440 1.00 0.00 N ATOM 293 CA LYS A 16 -13.549 -13.052 -12.505 1.00 0.00 C ATOM 294 C LYS A 16 -14.521 -14.067 -11.901 1.00 0.00 C ATOM 295 O LYS A 16 -14.670 -15.173 -12.418 1.00 0.00 O ATOM 296 CB LYS A 16 -12.452 -13.686 -13.362 1.00 0.00 C ATOM 297 CG LYS A 16 -11.213 -12.789 -13.419 1.00 0.00 C ATOM 298 CD LYS A 16 -9.966 -13.599 -13.777 1.00 0.00 C ATOM 299 CE LYS A 16 -8.937 -12.730 -14.504 1.00 0.00 C ATOM 300 NZ LYS A 16 -9.088 -12.866 -15.970 1.00 0.00 N ATOM 0 H LYS A 16 -12.108 -12.637 -11.041 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.126 -12.421 -13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.182 -14.659 -12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.827 -13.858 -14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.364 -12.001 -14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.069 -12.300 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.523 -14.011 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.245 -14.443 -14.408 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.064 -11.687 -14.215 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.930 -13.023 -14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.383 -12.270 -16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.945 -13.859 -16.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.043 -12.564 -16.250 1.00 0.00 H new ATOM 314 N TYR A 17 -15.157 -13.656 -10.814 1.00 0.00 N ATOM 315 CA TYR A 17 -16.111 -14.516 -10.134 1.00 0.00 C ATOM 316 C TYR A 17 -17.451 -13.803 -9.941 1.00 0.00 C ATOM 317 O TYR A 17 -17.619 -12.662 -10.368 1.00 0.00 O ATOM 318 CB TYR A 17 -15.505 -14.816 -8.762 1.00 0.00 C ATOM 319 CG TYR A 17 -14.777 -16.160 -8.685 1.00 0.00 C ATOM 320 CD1 TYR A 17 -13.691 -16.404 -9.501 1.00 0.00 C ATOM 321 CD2 TYR A 17 -15.206 -17.127 -7.799 1.00 0.00 C ATOM 322 CE1 TYR A 17 -13.006 -17.669 -9.428 1.00 0.00 C ATOM 323 CE2 TYR A 17 -14.521 -18.391 -7.726 1.00 0.00 C ATOM 324 CZ TYR A 17 -13.455 -18.600 -8.544 1.00 0.00 C ATOM 325 OH TYR A 17 -12.808 -19.794 -8.475 1.00 0.00 O ATOM 0 H TYR A 17 -15.030 -12.738 -10.387 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.296 -15.419 -10.716 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -14.807 -14.020 -8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.298 -14.800 -8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.355 -15.647 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.056 -16.936 -7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.155 -17.874 -10.061 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.846 -19.156 -7.037 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.237 -20.360 -7.800 1.00 0.00 H new