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= -4.5! K(o=-4.5!,f=-2.7) 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 1.896 3.872 -1.922 1.00 0.00 N ATOM 38 CA LEU A 3 1.594 5.011 -1.072 1.00 0.00 C ATOM 39 C LEU A 3 0.156 5.467 -1.328 1.00 0.00 C ATOM 40 O LEU A 3 -0.200 6.605 -1.029 1.00 0.00 O ATOM 41 CB LEU A 3 2.634 6.116 -1.268 1.00 0.00 C ATOM 42 CG LEU A 3 3.984 5.896 -0.583 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.843 5.958 0.940 1.00 0.00 C ATOM 44 CD2 LEU A 3 4.627 4.587 -1.046 1.00 0.00 C ATOM 0 HA LEU A 3 1.656 4.729 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.807 6.239 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.213 7.053 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 3 4.652 6.705 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.817 5.798 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.459 6.936 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.152 5.184 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.585 4.455 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.971 3.752 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.784 4.620 -2.124 1.00 0.00 H new ATOM 56 N ARG A 4 -0.631 4.554 -1.879 1.00 0.00 N ATOM 57 CA ARG A 4 -2.022 4.848 -2.178 1.00 0.00 C ATOM 58 C ARG A 4 -2.698 5.502 -0.972 1.00 0.00 C ATOM 59 O ARG A 4 -3.360 6.530 -1.108 1.00 0.00 O ATOM 60 CB ARG A 4 -2.785 3.577 -2.555 1.00 0.00 C ATOM 61 CG ARG A 4 -2.074 2.824 -3.682 1.00 0.00 C ATOM 62 CD ARG A 4 -2.918 1.647 -4.173 1.00 0.00 C ATOM 63 NE ARG A 4 -4.205 2.138 -4.714 1.00 0.00 N ATOM 64 CZ ARG A 4 -5.304 2.340 -3.973 1.00 0.00 C ATOM 65 NH1 ARG A 4 -5.278 2.094 -2.656 1.00 0.00 N ATOM 66 NH2 ARG A 4 -6.428 2.787 -4.549 1.00 0.00 N ATOM 0 H ARG A 4 -0.332 3.611 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.041 5.534 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.876 2.931 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.797 3.835 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.876 3.504 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.108 2.462 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.377 1.097 -4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.100 0.952 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.259 2.335 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.422 1.753 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.114 2.248 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.448 2.974 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.264 2.941 -3.985 1.00 0.00 H new ATOM 80 N ARG A 5 -2.508 4.879 0.182 1.00 0.00 N ATOM 81 CA ARG A 5 -3.091 5.387 1.412 1.00 0.00 C ATOM 82 C ARG A 5 -2.492 6.752 1.759 1.00 0.00 C ATOM 83 O ARG A 5 -3.160 7.592 2.361 1.00 0.00 O ATOM 84 CB ARG A 5 -2.853 4.422 2.575 1.00 0.00 C ATOM 85 CG ARG A 5 -3.501 3.064 2.302 1.00 0.00 C ATOM 86 CD ARG A 5 -4.173 2.514 3.562 1.00 0.00 C ATOM 87 NE ARG A 5 -3.838 1.082 3.731 1.00 0.00 N ATOM 88 CZ ARG A 5 -2.697 0.637 4.276 1.00 0.00 C ATOM 89 NH1 ARG A 5 -1.776 1.509 4.708 1.00 0.00 N ATOM 90 NH2 ARG A 5 -2.478 -0.680 4.389 1.00 0.00 N ATOM 0 H ARG A 5 -1.958 4.027 0.291 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.165 5.487 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.782 4.293 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.261 4.846 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.239 3.163 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.746 2.360 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.845 3.078 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.254 2.637 3.491 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.518 0.391 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.943 2.512 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.908 1.170 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.179 -1.344 4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.610 -1.019 4.804 1.00 0.00 H new ATOM 104 N ILE A 6 -1.240 6.930 1.366 1.00 0.00 N ATOM 105 CA ILE A 6 -0.544 8.178 1.628 1.00 0.00 C ATOM 106 C ILE A 6 -0.901 9.194 0.542 1.00 0.00 C ATOM 107 O ILE A 6 -1.164 10.359 0.839 1.00 0.00 O ATOM 108 CB ILE A 6 0.960 7.933 1.769 1.00 0.00 C ATOM 109 CG1 ILE A 6 1.243 6.842 2.804 1.00 0.00 C ATOM 110 CG2 ILE A 6 1.700 9.233 2.090 1.00 0.00 C ATOM 111 CD1 ILE A 6 1.879 7.433 4.064 1.00 0.00 C ATOM 0 H ILE A 6 -0.689 6.231 0.868 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.866 8.601 2.580 1.00 0.00 H new ATOM 0 HB ILE A 6 1.339 7.575 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.315 6.334 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.907 6.092 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.767 9.030 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.537 9.952 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.324 9.644 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.070 6.636 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.819 7.919 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.202 8.165 4.504 1.00 0.00 H new ATOM 123 N ILE A 7 -0.901 8.717 -0.694 1.00 0.00 N ATOM 124 CA ILE A 7 -1.222 9.570 -1.826 1.00 0.00 C ATOM 125 C ILE A 7 -2.626 10.150 -1.639 1.00 0.00 C ATOM 126 O ILE A 7 -2.808 11.366 -1.674 1.00 0.00 O ATOM 127 CB ILE A 7 -1.042 8.807 -3.140 1.00 0.00 C ATOM 128 CG1 ILE A 7 0.376 8.244 -3.257 1.00 0.00 C ATOM 129 CG2 ILE A 7 -1.411 9.684 -4.338 1.00 0.00 C ATOM 130 CD1 ILE A 7 0.793 8.110 -4.723 1.00 0.00 C ATOM 0 H ILE A 7 -0.684 7.750 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.532 10.412 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.726 7.959 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.075 8.897 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.426 7.270 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.274 9.118 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.452 9.995 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.770 10.565 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.805 7.708 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.106 7.437 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.766 9.090 -5.200 1.00 0.00 H new ATOM 142 N ARG A 8 -3.581 9.253 -1.445 1.00 0.00 N ATOM 143 CA ARG A 8 -4.963 9.661 -1.253 1.00 0.00 C ATOM 144 C ARG A 8 -5.133 10.331 0.112 1.00 0.00 C ATOM 145 O ARG A 8 -6.088 11.077 0.326 1.00 0.00 O ATOM 146 CB ARG A 8 -5.909 8.462 -1.347 1.00 0.00 C ATOM 147 CG ARG A 8 -5.958 7.697 -0.023 1.00 0.00 C ATOM 148 CD ARG A 8 -7.403 7.485 0.434 1.00 0.00 C ATOM 149 NE ARG A 8 -8.136 6.676 -0.566 1.00 0.00 N ATOM 150 CZ ARG A 8 -8.959 7.190 -1.490 1.00 0.00 C ATOM 151 NH1 ARG A 8 -9.159 8.514 -1.548 1.00 0.00 N ATOM 152 NH2 ARG A 8 -9.582 6.380 -2.357 1.00 0.00 N ATOM 0 H ARG A 8 -3.426 8.245 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.213 10.369 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.910 8.804 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.579 7.796 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.464 6.732 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.408 8.248 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.417 6.983 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.896 8.448 0.567 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.006 5.664 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.685 9.131 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.786 8.905 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.430 5.372 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.209 6.771 -3.060 1.00 0.00 H new ATOM 166 N LYS A 9 -4.194 10.041 1.000 1.00 0.00 N ATOM 167 CA LYS A 9 -4.228 10.606 2.338 1.00 0.00 C ATOM 168 C LYS A 9 -4.348 12.128 2.241 1.00 0.00 C ATOM 169 O LYS A 9 -5.341 12.705 2.682 1.00 0.00 O ATOM 170 CB LYS A 9 -3.020 10.134 3.150 1.00 0.00 C ATOM 171 CG LYS A 9 -3.445 9.160 4.251 1.00 0.00 C ATOM 172 CD LYS A 9 -3.759 9.905 5.550 1.00 0.00 C ATOM 173 CE LYS A 9 -3.251 9.125 6.765 1.00 0.00 C ATOM 174 NZ LYS A 9 -3.505 9.883 8.010 1.00 0.00 N ATOM 0 H LYS A 9 -3.404 9.422 0.819 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.105 10.251 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.300 9.650 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.518 10.993 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.322 8.600 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.651 8.435 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.298 10.892 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.835 10.058 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.746 8.155 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.183 8.933 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.154 9.340 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.013 10.798 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.527 10.045 8.116 1.00 0.00 H new ATOM 188 N GLY A 10 -3.322 12.735 1.662 1.00 0.00 N ATOM 189 CA GLY A 10 -3.300 14.179 1.502 1.00 0.00 C ATOM 190 C GLY A 10 -4.618 14.685 0.914 1.00 0.00 C ATOM 191 O GLY A 10 -5.038 15.807 1.197 1.00 0.00 O ATOM 0 H GLY A 10 -2.500 12.253 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.123 14.653 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.474 14.464 0.851 1.00 0.00 H new ATOM 195 N ILE A 11 -5.235 13.835 0.107 1.00 0.00 N ATOM 196 CA ILE A 11 -6.497 14.182 -0.523 1.00 0.00 C ATOM 197 C ILE A 11 -7.643 13.908 0.454 1.00 0.00 C ATOM 198 O ILE A 11 -8.330 14.833 0.885 1.00 0.00 O ATOM 199 CB ILE A 11 -6.645 13.458 -1.863 1.00 0.00 C ATOM 200 CG1 ILE A 11 -5.292 13.322 -2.564 1.00 0.00 C ATOM 201 CG2 ILE A 11 -7.683 14.149 -2.749 1.00 0.00 C ATOM 202 CD1 ILE A 11 -5.469 12.846 -4.008 1.00 0.00 C ATOM 0 H ILE A 11 -4.884 12.906 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.525 15.246 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.010 12.450 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.775 14.282 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.665 12.617 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.768 13.614 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.649 14.150 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.372 15.176 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.493 12.757 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.965 11.875 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.076 13.566 -4.557 1.00 0.00 H new ATOM 214 N HIS A 12 -7.812 12.634 0.774 1.00 0.00 N ATOM 215 CA HIS A 12 -8.862 12.226 1.692 1.00 0.00 C ATOM 216 C HIS A 12 -10.002 13.246 1.653 1.00 0.00 C ATOM 217 O HIS A 12 -10.178 14.022 2.592 1.00 0.00 O ATOM 218 CB HIS A 12 -8.302 12.017 3.100 1.00 0.00 C ATOM 219 CG HIS A 12 -8.047 10.571 3.451 1.00 0.00 C ATOM 220 ND1 HIS A 12 -8.473 10.000 4.638 1.00 0.00 N ATOM 221 CD2 HIS A 12 -7.406 9.585 2.759 1.00 0.00 C ATOM 222 CE1 HIS A 12 -8.100 8.729 4.649 1.00 0.00 C ATOM 223 NE2 HIS A 12 -7.438 8.474 3.484 1.00 0.00 N ATOM 0 H HIS A 12 -7.240 11.870 0.414 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.270 11.265 1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.369 12.573 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.000 12.438 3.824 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.987 10.477 5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.950 9.691 1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.287 8.019 5.441 1.00 0.00 H new ATOM 232 N ILE A 13 -10.747 13.212 0.558 1.00 0.00 N ATOM 233 CA ILE A 13 -11.864 14.124 0.384 1.00 0.00 C ATOM 234 C ILE A 13 -13.157 13.318 0.241 1.00 0.00 C ATOM 235 O ILE A 13 -14.142 13.592 0.925 1.00 0.00 O ATOM 236 CB ILE A 13 -11.602 15.078 -0.783 1.00 0.00 C ATOM 237 CG1 ILE A 13 -10.334 14.680 -1.541 1.00 0.00 C ATOM 238 CG2 ILE A 13 -11.552 16.530 -0.305 1.00 0.00 C ATOM 239 CD1 ILE A 13 -10.194 15.485 -2.835 1.00 0.00 C ATOM 0 H ILE A 13 -10.599 12.567 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.978 14.758 1.263 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.434 14.999 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.461 14.845 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.363 13.615 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.364 17.187 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.504 16.795 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.752 16.645 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.285 15.183 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.057 15.299 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.141 16.548 -2.598 1.00 0.00 H new ATOM 251 N ILE A 14 -13.111 12.340 -0.652 1.00 0.00 N ATOM 252 CA ILE A 14 -14.266 11.493 -0.894 1.00 0.00 C ATOM 253 C ILE A 14 -14.778 10.943 0.439 1.00 0.00 C ATOM 254 O ILE A 14 -15.948 10.584 0.559 1.00 0.00 O ATOM 255 CB ILE A 14 -13.929 10.407 -1.918 1.00 0.00 C ATOM 256 CG1 ILE A 14 -13.432 11.024 -3.227 1.00 0.00 C ATOM 257 CG2 ILE A 14 -15.122 9.475 -2.141 1.00 0.00 C ATOM 258 CD1 ILE A 14 -14.562 11.118 -4.254 1.00 0.00 C ATOM 0 H ILE A 14 -12.292 12.116 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.078 12.073 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.116 9.800 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -13.028 12.018 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.618 10.422 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.856 8.712 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.391 8.996 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -15.970 10.052 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -14.181 11.560 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -14.948 10.120 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -15.364 11.741 -3.857 1.00 0.00 H new ATOM 270 N LYS A 15 -13.875 10.893 1.408 1.00 0.00 N ATOM 271 CA LYS A 15 -14.220 10.393 2.728 1.00 0.00 C ATOM 272 C LYS A 15 -14.972 11.479 3.499 1.00 0.00 C ATOM 273 O LYS A 15 -15.762 11.177 4.393 1.00 0.00 O ATOM 274 CB LYS A 15 -12.972 9.879 3.449 1.00 0.00 C ATOM 275 CG LYS A 15 -12.537 8.522 2.891 1.00 0.00 C ATOM 276 CD LYS A 15 -11.966 7.632 3.997 1.00 0.00 C ATOM 277 CE LYS A 15 -11.151 6.480 3.408 1.00 0.00 C ATOM 278 NZ LYS A 15 -10.747 5.533 4.471 1.00 0.00 N ATOM 0 H LYS A 15 -12.905 11.191 1.305 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.889 9.536 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.161 10.599 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.175 9.789 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.388 8.027 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.787 8.668 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.336 8.227 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.779 7.234 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.740 5.959 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.266 6.872 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.195 4.757 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.167 6.030 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.595 5.145 4.931 1.00 0.00 H new ATOM 292 N LYS A 16 -14.700 12.721 3.126 1.00 0.00 N ATOM 293 CA LYS A 16 -15.342 13.854 3.772 1.00 0.00 C ATOM 294 C LYS A 16 -16.601 14.235 2.991 1.00 0.00 C ATOM 295 O LYS A 16 -16.983 15.404 2.955 1.00 0.00 O ATOM 296 CB LYS A 16 -14.350 15.007 3.941 1.00 0.00 C ATOM 297 CG LYS A 16 -12.927 14.481 4.142 1.00 0.00 C ATOM 298 CD LYS A 16 -11.894 15.576 3.870 1.00 0.00 C ATOM 299 CE LYS A 16 -10.648 15.381 4.735 1.00 0.00 C ATOM 300 NZ LYS A 16 -10.764 16.153 5.993 1.00 0.00 N ATOM 0 H LYS A 16 -14.044 12.968 2.385 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.660 13.588 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.383 15.651 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.640 15.618 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.812 14.113 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.750 13.636 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.615 15.564 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.333 16.553 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.517 14.323 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.763 15.701 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.910 16.009 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.866 17.164 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.597 15.829 6.524 1.00 0.00 H new ATOM 314 N TYR A 17 -17.210 13.227 2.385 1.00 0.00 N ATOM 315 CA TYR A 17 -18.418 13.443 1.606 1.00 0.00 C ATOM 316 C TYR A 17 -19.537 12.502 2.058 1.00 0.00 C ATOM 317 O TYR A 17 -19.285 11.341 2.379 1.00 0.00 O ATOM 318 CB TYR A 17 -18.050 13.118 0.157 1.00 0.00 C ATOM 319 CG TYR A 17 -17.698 14.346 -0.685 1.00 0.00 C ATOM 320 CD1 TYR A 17 -18.696 15.200 -1.109 1.00 0.00 C ATOM 321 CD2 TYR A 17 -16.384 14.599 -1.021 1.00 0.00 C ATOM 322 CE1 TYR A 17 -18.366 16.356 -1.903 1.00 0.00 C ATOM 323 CE2 TYR A 17 -16.054 15.755 -1.815 1.00 0.00 C ATOM 324 CZ TYR A 17 -17.061 16.576 -2.216 1.00 0.00 C ATOM 325 OH TYR A 17 -16.749 17.668 -2.965 1.00 0.00 O ATOM 0 H TYR A 17 -16.890 12.259 2.417 1.00 0.00 H new ATOM 0 HA TYR A 17 -18.775 14.466 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -17.203 12.432 0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.885 12.596 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -19.724 15.002 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.603 13.931 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -19.137 17.032 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.030 15.965 -2.086 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.780 17.699 -3.110 1.00 0.00 H new