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= -4.39! K(o=-4.4!,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 4.834 -2.928 -3.780 1.00 0.00 N ATOM 38 CA LEU A 3 6.009 -2.567 -4.554 1.00 0.00 C ATOM 39 C LEU A 3 7.192 -3.432 -4.112 1.00 0.00 C ATOM 40 O LEU A 3 8.346 -3.072 -4.336 1.00 0.00 O ATOM 41 CB LEU A 3 6.276 -1.064 -4.454 1.00 0.00 C ATOM 42 CG LEU A 3 5.377 -0.165 -5.304 1.00 0.00 C ATOM 43 CD1 LEU A 3 6.061 0.207 -6.621 1.00 0.00 C ATOM 44 CD2 LEU A 3 4.010 -0.814 -5.531 1.00 0.00 C ATOM 0 HA LEU A 3 5.844 -2.768 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.173 -0.765 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.312 -0.880 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 3 5.206 0.762 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.400 0.846 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.989 0.739 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.282 -0.699 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.390 -0.154 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.140 -1.766 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.525 -0.985 -4.570 1.00 0.00 H new ATOM 56 N ARG A 4 6.862 -4.556 -3.493 1.00 0.00 N ATOM 57 CA ARG A 4 7.882 -5.475 -3.017 1.00 0.00 C ATOM 58 C ARG A 4 8.916 -5.735 -4.115 1.00 0.00 C ATOM 59 O ARG A 4 10.119 -5.652 -3.872 1.00 0.00 O ATOM 60 CB ARG A 4 7.265 -6.806 -2.582 1.00 0.00 C ATOM 61 CG ARG A 4 6.128 -6.582 -1.584 1.00 0.00 C ATOM 62 CD ARG A 4 5.619 -7.912 -1.025 1.00 0.00 C ATOM 63 NE ARG A 4 5.990 -8.036 0.403 1.00 0.00 N ATOM 64 CZ ARG A 4 6.083 -9.203 1.056 1.00 0.00 C ATOM 65 NH1 ARG A 4 5.833 -10.352 0.415 1.00 0.00 N ATOM 66 NH2 ARG A 4 6.426 -9.219 2.352 1.00 0.00 N ATOM 0 H ARG A 4 5.903 -4.851 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 4 8.368 -5.014 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.888 -7.339 -3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.031 -7.436 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.476 -5.949 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.310 -6.052 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.536 -7.971 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.043 -8.741 -1.593 1.00 0.00 H new ATOM 0 HE ARG A 4 6.187 -7.180 0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.572 -10.340 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.904 -11.240 0.913 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.616 -8.344 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.497 -10.106 2.850 1.00 0.00 H new ATOM 80 N ARG A 5 8.409 -6.043 -5.300 1.00 0.00 N ATOM 81 CA ARG A 5 9.273 -6.316 -6.436 1.00 0.00 C ATOM 82 C ARG A 5 10.058 -5.059 -6.819 1.00 0.00 C ATOM 83 O ARG A 5 11.180 -5.151 -7.314 1.00 0.00 O ATOM 84 CB ARG A 5 8.462 -6.789 -7.644 1.00 0.00 C ATOM 85 CG ARG A 5 7.737 -8.102 -7.337 1.00 0.00 C ATOM 86 CD ARG A 5 8.137 -9.194 -8.331 1.00 0.00 C ATOM 87 NE ARG A 5 8.091 -10.519 -7.672 1.00 0.00 N ATOM 88 CZ ARG A 5 6.981 -11.258 -7.549 1.00 0.00 C ATOM 89 NH1 ARG A 5 5.818 -10.807 -8.039 1.00 0.00 N ATOM 90 NH2 ARG A 5 7.033 -12.449 -6.936 1.00 0.00 N ATOM 0 H ARG A 5 7.411 -6.110 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 5 9.964 -7.107 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.736 -6.025 -7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.123 -6.926 -8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.974 -8.424 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.659 -7.945 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.464 -9.181 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.141 -9.002 -8.711 1.00 0.00 H new ATOM 0 HE ARG A 5 8.959 -10.892 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.778 -9.901 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.973 -11.370 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.918 -12.792 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.187 -13.012 -6.842 1.00 0.00 H new ATOM 104 N ILE A 6 9.437 -3.915 -6.574 1.00 0.00 N ATOM 105 CA ILE A 6 10.064 -2.642 -6.887 1.00 0.00 C ATOM 106 C ILE A 6 10.993 -2.240 -5.740 1.00 0.00 C ATOM 107 O ILE A 6 12.113 -1.787 -5.973 1.00 0.00 O ATOM 108 CB ILE A 6 9.004 -1.589 -7.217 1.00 0.00 C ATOM 109 CG1 ILE A 6 8.053 -2.091 -8.305 1.00 0.00 C ATOM 110 CG2 ILE A 6 9.653 -0.256 -7.594 1.00 0.00 C ATOM 111 CD1 ILE A 6 8.276 -1.339 -9.618 1.00 0.00 C ATOM 0 H ILE A 6 8.506 -3.843 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 6 10.681 -2.731 -7.781 1.00 0.00 H new ATOM 0 HB ILE A 6 8.407 -1.414 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.206 -3.159 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.021 -1.962 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.877 0.474 -7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.255 0.104 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.290 -0.396 -8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.587 -1.715 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.098 -0.275 -9.463 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.302 -1.490 -9.954 1.00 0.00 H new ATOM 123 N ILE A 7 10.495 -2.421 -4.526 1.00 0.00 N ATOM 124 CA ILE A 7 11.266 -2.083 -3.342 1.00 0.00 C ATOM 125 C ILE A 7 12.569 -2.886 -3.341 1.00 0.00 C ATOM 126 O ILE A 7 13.654 -2.313 -3.254 1.00 0.00 O ATOM 127 CB ILE A 7 10.424 -2.278 -2.080 1.00 0.00 C ATOM 128 CG1 ILE A 7 9.131 -1.462 -2.152 1.00 0.00 C ATOM 129 CG2 ILE A 7 11.235 -1.956 -0.823 1.00 0.00 C ATOM 130 CD1 ILE A 7 8.646 -1.079 -0.753 1.00 0.00 C ATOM 0 H ILE A 7 9.566 -2.798 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 7 11.540 -1.028 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 7 10.140 -3.328 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.298 -0.561 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.360 -2.039 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.612 -2.103 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.101 -2.616 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.570 -0.920 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.726 -0.500 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.457 -1.983 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.409 -0.481 -0.254 1.00 0.00 H new ATOM 142 N ARG A 8 12.418 -4.198 -3.440 1.00 0.00 N ATOM 143 CA ARG A 8 13.569 -5.085 -3.452 1.00 0.00 C ATOM 144 C ARG A 8 14.336 -4.942 -4.768 1.00 0.00 C ATOM 145 O ARG A 8 15.512 -5.295 -4.847 1.00 0.00 O ATOM 146 CB ARG A 8 13.143 -6.543 -3.274 1.00 0.00 C ATOM 147 CG ARG A 8 12.684 -7.146 -4.603 1.00 0.00 C ATOM 148 CD ARG A 8 13.414 -8.460 -4.890 1.00 0.00 C ATOM 149 NE ARG A 8 13.077 -9.463 -3.855 1.00 0.00 N ATOM 150 CZ ARG A 8 13.864 -9.758 -2.811 1.00 0.00 C ATOM 151 NH1 ARG A 8 15.037 -9.129 -2.657 1.00 0.00 N ATOM 152 NH2 ARG A 8 13.477 -10.682 -1.921 1.00 0.00 N ATOM 0 H ARG A 8 11.516 -4.669 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 8 14.213 -4.803 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.976 -7.123 -2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.335 -6.603 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.609 -7.322 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.870 -6.438 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.134 -8.834 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.491 -8.291 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 8 12.191 -9.961 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.331 -8.425 -3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.636 -9.354 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.584 -11.160 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.076 -10.907 -1.126 1.00 0.00 H new ATOM 166 N LYS A 9 13.639 -4.423 -5.768 1.00 0.00 N ATOM 167 CA LYS A 9 14.240 -4.229 -7.077 1.00 0.00 C ATOM 168 C LYS A 9 15.531 -3.423 -6.926 1.00 0.00 C ATOM 169 O LYS A 9 16.618 -3.927 -7.205 1.00 0.00 O ATOM 170 CB LYS A 9 13.231 -3.601 -8.041 1.00 0.00 C ATOM 171 CG LYS A 9 12.793 -4.606 -9.109 1.00 0.00 C ATOM 172 CD LYS A 9 13.697 -4.526 -10.340 1.00 0.00 C ATOM 173 CE LYS A 9 12.905 -4.802 -11.620 1.00 0.00 C ATOM 174 NZ LYS A 9 13.627 -5.768 -12.478 1.00 0.00 N ATOM 0 H LYS A 9 12.664 -4.131 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 9 14.513 -5.188 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.360 -3.253 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.674 -2.727 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.821 -5.615 -8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.761 -4.408 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.154 -3.538 -10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.509 -5.248 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.920 -5.196 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.746 -3.871 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.076 -5.944 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.557 -5.378 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.756 -6.662 -11.962 1.00 0.00 H new ATOM 188 N GLY A 10 15.370 -2.184 -6.486 1.00 0.00 N ATOM 189 CA GLY A 10 16.509 -1.303 -6.294 1.00 0.00 C ATOM 190 C GLY A 10 17.635 -2.018 -5.544 1.00 0.00 C ATOM 191 O GLY A 10 18.810 -1.713 -5.743 1.00 0.00 O ATOM 0 H GLY A 10 14.467 -1.769 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.874 -0.958 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.200 -0.419 -5.736 1.00 0.00 H new ATOM 195 N ILE A 11 17.236 -2.956 -4.698 1.00 0.00 N ATOM 196 CA ILE A 11 18.197 -3.716 -3.917 1.00 0.00 C ATOM 197 C ILE A 11 18.719 -4.884 -4.756 1.00 0.00 C ATOM 198 O ILE A 11 19.893 -4.915 -5.121 1.00 0.00 O ATOM 199 CB ILE A 11 17.584 -4.144 -2.582 1.00 0.00 C ATOM 200 CG1 ILE A 11 16.616 -3.082 -2.058 1.00 0.00 C ATOM 201 CG2 ILE A 11 18.673 -4.482 -1.562 1.00 0.00 C ATOM 202 CD1 ILE A 11 16.204 -3.379 -0.614 1.00 0.00 C ATOM 0 H ILE A 11 16.261 -3.207 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 11 19.057 -3.096 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 11 17.005 -5.053 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 11 17.085 -2.100 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.731 -3.047 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 11 18.210 -4.783 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 11 19.287 -5.299 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 11 19.299 -3.605 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.516 -2.609 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.714 -4.351 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.089 -3.389 0.022 1.00 0.00 H new ATOM 214 N HIS A 12 17.821 -5.817 -5.038 1.00 0.00 N ATOM 215 CA HIS A 12 18.177 -6.984 -5.828 1.00 0.00 C ATOM 216 C HIS A 12 19.653 -7.321 -5.609 1.00 0.00 C ATOM 217 O HIS A 12 20.459 -7.226 -6.534 1.00 0.00 O ATOM 218 CB HIS A 12 17.830 -6.768 -7.302 1.00 0.00 C ATOM 219 CG HIS A 12 16.541 -7.427 -7.732 1.00 0.00 C ATOM 220 ND1 HIS A 12 16.436 -8.190 -8.882 1.00 0.00 N ATOM 221 CD2 HIS A 12 15.305 -7.431 -7.154 1.00 0.00 C ATOM 222 CE1 HIS A 12 15.189 -8.627 -8.983 1.00 0.00 C ATOM 223 NE2 HIS A 12 14.490 -8.155 -7.911 1.00 0.00 N ATOM 0 H HIS A 12 16.848 -5.789 -4.734 1.00 0.00 H new ATOM 0 HA HIS A 12 17.592 -7.843 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 12 17.761 -5.698 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 12 18.645 -7.151 -7.916 1.00 0.00 H new ATOM 0 HD1 HIS A 12 17.191 -8.383 -9.540 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.036 -6.930 -6.236 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.796 -9.247 -9.775 1.00 0.00 H new ATOM 232 N ILE A 13 19.963 -7.707 -4.380 1.00 0.00 N ATOM 233 CA ILE A 13 21.328 -8.059 -4.028 1.00 0.00 C ATOM 234 C ILE A 13 21.373 -9.519 -3.574 1.00 0.00 C ATOM 235 O ILE A 13 22.228 -10.285 -4.017 1.00 0.00 O ATOM 236 CB ILE A 13 21.886 -7.076 -2.997 1.00 0.00 C ATOM 237 CG1 ILE A 13 20.938 -5.892 -2.800 1.00 0.00 C ATOM 238 CG2 ILE A 13 23.297 -6.624 -3.377 1.00 0.00 C ATOM 239 CD1 ILE A 13 21.589 -4.586 -3.260 1.00 0.00 C ATOM 0 H ILE A 13 19.292 -7.784 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 13 21.979 -7.976 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 13 21.961 -7.591 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.018 -6.061 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 13 20.661 -5.814 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 13 23.670 -5.926 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 13 23.956 -7.491 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 13 23.272 -6.133 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.894 -3.760 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 13 22.495 -4.408 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 13 21.842 -4.658 -4.318 1.00 0.00 H new ATOM 251 N ILE A 14 20.442 -9.861 -2.696 1.00 0.00 N ATOM 252 CA ILE A 14 20.365 -11.216 -2.176 1.00 0.00 C ATOM 253 C ILE A 14 20.326 -12.204 -3.344 1.00 0.00 C ATOM 254 O ILE A 14 20.697 -13.367 -3.191 1.00 0.00 O ATOM 255 CB ILE A 14 19.183 -11.354 -1.214 1.00 0.00 C ATOM 256 CG1 ILE A 14 19.293 -10.353 -0.062 1.00 0.00 C ATOM 257 CG2 ILE A 14 19.050 -12.793 -0.712 1.00 0.00 C ATOM 258 CD1 ILE A 14 19.889 -11.014 1.183 1.00 0.00 C ATOM 0 H ILE A 14 19.734 -9.223 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 14 21.253 -11.450 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 14 18.270 -11.117 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 14 19.916 -9.511 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.307 -9.952 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.203 -12.864 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.891 -13.461 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 14 19.962 -13.082 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 14 19.956 -10.281 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.251 -11.840 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.885 -11.392 0.953 1.00 0.00 H new ATOM 270 N LYS A 15 19.874 -11.704 -4.485 1.00 0.00 N ATOM 271 CA LYS A 15 19.782 -12.528 -5.678 1.00 0.00 C ATOM 272 C LYS A 15 21.169 -12.659 -6.311 1.00 0.00 C ATOM 273 O LYS A 15 21.448 -13.634 -7.007 1.00 0.00 O ATOM 274 CB LYS A 15 18.721 -11.975 -6.631 1.00 0.00 C ATOM 275 CG LYS A 15 17.313 -12.218 -6.085 1.00 0.00 C ATOM 276 CD LYS A 15 16.304 -12.382 -7.224 1.00 0.00 C ATOM 277 CE LYS A 15 14.968 -12.913 -6.700 1.00 0.00 C ATOM 278 NZ LYS A 15 14.927 -14.390 -6.786 1.00 0.00 N ATOM 0 H LYS A 15 19.568 -10.739 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 15 19.452 -13.535 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.879 -10.906 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.823 -12.448 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.310 -13.111 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.017 -11.384 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.150 -11.423 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.703 -13.066 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.826 -12.599 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.148 -12.486 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.014 -14.733 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.041 -14.683 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.697 -14.793 -6.215 1.00 0.00 H new ATOM 292 N LYS A 16 22.001 -11.663 -6.045 1.00 0.00 N ATOM 293 CA LYS A 16 23.352 -11.654 -6.580 1.00 0.00 C ATOM 294 C LYS A 16 24.305 -12.278 -5.558 1.00 0.00 C ATOM 295 O LYS A 16 25.472 -11.898 -5.480 1.00 0.00 O ATOM 296 CB LYS A 16 23.750 -10.240 -7.008 1.00 0.00 C ATOM 297 CG LYS A 16 22.532 -9.452 -7.496 1.00 0.00 C ATOM 298 CD LYS A 16 22.816 -7.949 -7.497 1.00 0.00 C ATOM 299 CE LYS A 16 22.020 -7.241 -8.594 1.00 0.00 C ATOM 300 NZ LYS A 16 22.801 -7.189 -9.850 1.00 0.00 N ATOM 0 H LYS A 16 21.766 -10.857 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 16 23.408 -12.263 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.213 -9.719 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 16 24.496 -10.293 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.264 -9.776 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.677 -9.664 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.559 -7.526 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.882 -7.777 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.080 -7.765 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.768 -6.230 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.246 -6.705 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.687 -6.669 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.020 -8.156 -10.163 1.00 0.00 H new ATOM 314 N TYR A 17 23.771 -13.224 -4.799 1.00 0.00 N ATOM 315 CA TYR A 17 24.559 -13.903 -3.785 1.00 0.00 C ATOM 316 C TYR A 17 24.475 -15.422 -3.952 1.00 0.00 C ATOM 317 O TYR A 17 25.499 -16.097 -4.043 1.00 0.00 O ATOM 318 CB TYR A 17 23.941 -13.515 -2.440 1.00 0.00 C ATOM 319 CG TYR A 17 24.654 -12.358 -1.738 1.00 0.00 C ATOM 320 CD1 TYR A 17 24.916 -11.190 -2.425 1.00 0.00 C ATOM 321 CD2 TYR A 17 25.036 -12.483 -0.418 1.00 0.00 C ATOM 322 CE1 TYR A 17 25.588 -10.101 -1.764 1.00 0.00 C ATOM 323 CE2 TYR A 17 25.708 -11.394 0.243 1.00 0.00 C ATOM 324 CZ TYR A 17 25.951 -10.257 -0.463 1.00 0.00 C ATOM 325 OH TYR A 17 26.585 -9.228 0.161 1.00 0.00 O ATOM 0 H TYR A 17 22.802 -13.536 -4.866 1.00 0.00 H new ATOM 0 HA TYR A 17 25.608 -13.618 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 17 22.897 -13.243 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 17 23.949 -14.385 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 17 24.617 -11.093 -3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 17 24.831 -13.397 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.799 -9.181 -2.290 1.00 0.00 H new ATOM 0 HE2 TYR A 17 26.012 -11.478 1.276 1.00 0.00 H new ATOM 0 HH TYR A 17 26.784 -9.480 1.087 1.00 0.00 H new