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= -3.97! X(o=-4!,f=-3.5) 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 3.477 3.268 -4.225 1.00 0.00 N ATOM 38 CA LEU A 3 4.517 3.499 -5.213 1.00 0.00 C ATOM 39 C LEU A 3 4.799 2.196 -5.965 1.00 0.00 C ATOM 40 O LEU A 3 5.826 2.068 -6.630 1.00 0.00 O ATOM 41 CB LEU A 3 5.756 4.108 -4.554 1.00 0.00 C ATOM 42 CG LEU A 3 5.654 5.586 -4.171 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.643 6.475 -5.416 1.00 0.00 C ATOM 44 CD2 LEU A 3 4.439 5.838 -3.276 1.00 0.00 C ATOM 0 HA LEU A 3 4.185 4.229 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.984 3.535 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.601 3.986 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 3 6.540 5.851 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.570 7.520 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.563 6.323 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.788 6.216 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.390 6.896 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.531 5.551 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.529 5.247 -2.365 1.00 0.00 H new ATOM 56 N ARG A 4 3.868 1.262 -5.835 1.00 0.00 N ATOM 57 CA ARG A 4 4.003 -0.026 -6.494 1.00 0.00 C ATOM 58 C ARG A 4 4.397 0.167 -7.960 1.00 0.00 C ATOM 59 O ARG A 4 5.320 -0.482 -8.448 1.00 0.00 O ATOM 60 CB ARG A 4 2.698 -0.820 -6.423 1.00 0.00 C ATOM 61 CG ARG A 4 2.193 -0.918 -4.982 1.00 0.00 C ATOM 62 CD ARG A 4 0.971 -1.835 -4.890 1.00 0.00 C ATOM 63 NE ARG A 4 1.405 -3.245 -4.771 1.00 0.00 N ATOM 64 CZ ARG A 4 1.618 -4.057 -5.815 1.00 0.00 C ATOM 65 NH1 ARG A 4 1.438 -3.604 -7.063 1.00 0.00 N ATOM 66 NH2 ARG A 4 2.010 -5.322 -5.612 1.00 0.00 N ATOM 0 H ARG A 4 3.017 1.372 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 4 4.783 -0.584 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.942 -0.341 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.855 -1.821 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.987 -1.299 -4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.935 0.075 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.363 -1.559 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.346 -1.712 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 4 1.551 -3.622 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.139 -2.641 -7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.600 -4.222 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.146 -5.667 -4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.172 -5.940 -6.407 1.00 0.00 H new ATOM 80 N ARG A 5 3.675 1.061 -8.620 1.00 0.00 N ATOM 81 CA ARG A 5 3.937 1.346 -10.020 1.00 0.00 C ATOM 82 C ARG A 5 5.323 1.975 -10.184 1.00 0.00 C ATOM 83 O ARG A 5 5.972 1.797 -11.213 1.00 0.00 O ATOM 84 CB ARG A 5 2.883 2.295 -10.596 1.00 0.00 C ATOM 85 CG ARG A 5 1.470 1.781 -10.312 1.00 0.00 C ATOM 86 CD ARG A 5 0.800 1.285 -11.595 1.00 0.00 C ATOM 87 NE ARG A 5 1.453 0.040 -12.059 1.00 0.00 N ATOM 88 CZ ARG A 5 0.994 -0.719 -13.063 1.00 0.00 C ATOM 89 NH1 ARG A 5 -0.122 -0.366 -13.715 1.00 0.00 N ATOM 90 NH2 ARG A 5 1.652 -1.832 -13.416 1.00 0.00 N ATOM 0 H ARG A 5 2.909 1.597 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 5 3.896 0.402 -10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.007 3.288 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.028 2.396 -11.672 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.513 0.971 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.872 2.577 -9.869 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.260 1.104 -11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.866 2.050 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 5 2.305 -0.258 -11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.623 0.481 -13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.471 -0.944 -14.479 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.502 -2.101 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.303 -2.410 -14.180 1.00 0.00 H new ATOM 104 N ILE A 6 5.734 2.698 -9.152 1.00 0.00 N ATOM 105 CA ILE A 6 7.031 3.355 -9.169 1.00 0.00 C ATOM 106 C ILE A 6 8.106 2.361 -8.725 1.00 0.00 C ATOM 107 O ILE A 6 9.179 2.295 -9.322 1.00 0.00 O ATOM 108 CB ILE A 6 6.993 4.635 -8.332 1.00 0.00 C ATOM 109 CG1 ILE A 6 5.830 5.534 -8.756 1.00 0.00 C ATOM 110 CG2 ILE A 6 8.335 5.368 -8.391 1.00 0.00 C ATOM 111 CD1 ILE A 6 6.338 6.790 -9.467 1.00 0.00 C ATOM 0 H ILE A 6 5.193 2.843 -8.300 1.00 0.00 H new ATOM 0 HA ILE A 6 7.286 3.671 -10.181 1.00 0.00 H new ATOM 0 HB ILE A 6 6.822 4.358 -7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.162 4.982 -9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.247 5.818 -7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.281 6.274 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.121 4.720 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.560 5.633 -9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.491 7.411 -9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.986 7.352 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.899 6.503 -10.356 1.00 0.00 H new ATOM 123 N ILE A 7 7.781 1.613 -7.681 1.00 0.00 N ATOM 124 CA ILE A 7 8.706 0.626 -7.150 1.00 0.00 C ATOM 125 C ILE A 7 9.052 -0.383 -8.247 1.00 0.00 C ATOM 126 O ILE A 7 10.225 -0.590 -8.558 1.00 0.00 O ATOM 127 CB ILE A 7 8.137 -0.015 -5.883 1.00 0.00 C ATOM 128 CG1 ILE A 7 7.782 1.049 -4.842 1.00 0.00 C ATOM 129 CG2 ILE A 7 9.095 -1.068 -5.323 1.00 0.00 C ATOM 130 CD1 ILE A 7 7.908 0.492 -3.423 1.00 0.00 C ATOM 0 H ILE A 7 6.890 1.671 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 7 9.639 1.102 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 7 7.212 -0.529 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.440 1.910 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.764 1.401 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.666 -1.508 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.254 -1.848 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.048 -0.599 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.650 1.269 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.231 -0.354 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.933 0.164 -3.251 1.00 0.00 H new ATOM 142 N ARG A 8 8.011 -0.985 -8.804 1.00 0.00 N ATOM 143 CA ARG A 8 8.191 -1.967 -9.859 1.00 0.00 C ATOM 144 C ARG A 8 8.689 -1.289 -11.137 1.00 0.00 C ATOM 145 O ARG A 8 9.254 -1.943 -12.012 1.00 0.00 O ATOM 146 CB ARG A 8 6.882 -2.702 -10.157 1.00 0.00 C ATOM 147 CG ARG A 8 5.966 -1.853 -11.040 1.00 0.00 C ATOM 148 CD ARG A 8 5.354 -2.693 -12.163 1.00 0.00 C ATOM 149 NE ARG A 8 4.759 -3.928 -11.604 1.00 0.00 N ATOM 150 CZ ARG A 8 3.643 -3.954 -10.863 1.00 0.00 C ATOM 151 NH1 ARG A 8 2.995 -2.814 -10.586 1.00 0.00 N ATOM 152 NH2 ARG A 8 3.175 -5.121 -10.397 1.00 0.00 N ATOM 0 H ARG A 8 7.040 -0.811 -8.544 1.00 0.00 H new ATOM 0 HA ARG A 8 8.931 -2.690 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.097 -3.648 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.374 -2.940 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.172 -1.417 -10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.532 -1.025 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.591 -2.116 -12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.119 -2.948 -12.896 1.00 0.00 H new ATOM 0 HE ARG A 8 5.228 -4.814 -11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.351 -1.926 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.145 -2.834 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.669 -5.989 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.325 -5.141 -9.833 1.00 0.00 H new ATOM 166 N LYS A 9 8.462 0.015 -11.204 1.00 0.00 N ATOM 167 CA LYS A 9 8.880 0.789 -12.360 1.00 0.00 C ATOM 168 C LYS A 9 10.383 0.602 -12.577 1.00 0.00 C ATOM 169 O LYS A 9 10.804 0.064 -13.600 1.00 0.00 O ATOM 170 CB LYS A 9 8.458 2.252 -12.206 1.00 0.00 C ATOM 171 CG LYS A 9 7.306 2.593 -13.153 1.00 0.00 C ATOM 172 CD LYS A 9 7.832 3.100 -14.497 1.00 0.00 C ATOM 173 CE LYS A 9 7.471 2.135 -15.627 1.00 0.00 C ATOM 174 NZ LYS A 9 7.986 2.636 -16.921 1.00 0.00 N ATOM 0 H LYS A 9 7.994 0.555 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 9 8.381 0.430 -13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.155 2.440 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.308 2.903 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.687 1.710 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.669 3.352 -12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.414 4.084 -14.707 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.914 3.218 -14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.889 1.150 -15.419 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.389 2.017 -15.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.732 1.969 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.567 3.566 -17.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.021 2.726 -16.871 1.00 0.00 H new ATOM 188 N GLY A 10 11.151 1.056 -11.597 1.00 0.00 N ATOM 189 CA GLY A 10 12.598 0.946 -11.668 1.00 0.00 C ATOM 190 C GLY A 10 13.020 -0.465 -12.082 1.00 0.00 C ATOM 191 O GLY A 10 14.077 -0.649 -12.685 1.00 0.00 O ATOM 0 H GLY A 10 10.798 1.501 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.987 1.671 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.033 1.190 -10.699 1.00 0.00 H new ATOM 195 N ILE A 11 12.173 -1.426 -11.742 1.00 0.00 N ATOM 196 CA ILE A 11 12.446 -2.815 -12.070 1.00 0.00 C ATOM 197 C ILE A 11 11.960 -3.103 -13.492 1.00 0.00 C ATOM 198 O ILE A 11 12.765 -3.333 -14.393 1.00 0.00 O ATOM 199 CB ILE A 11 11.842 -3.743 -11.014 1.00 0.00 C ATOM 200 CG1 ILE A 11 11.850 -3.082 -9.634 1.00 0.00 C ATOM 201 CG2 ILE A 11 12.553 -5.098 -11.005 1.00 0.00 C ATOM 202 CD1 ILE A 11 11.550 -4.104 -8.536 1.00 0.00 C ATOM 0 H ILE A 11 11.297 -1.270 -11.243 1.00 0.00 H new ATOM 0 HA ILE A 11 13.519 -3.007 -12.054 1.00 0.00 H new ATOM 0 HB ILE A 11 10.800 -3.927 -11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.821 -2.622 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.109 -2.283 -9.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.105 -5.739 -10.246 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.452 -5.569 -11.983 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.610 -4.953 -10.780 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.562 -3.609 -7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.568 -4.544 -8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.307 -4.888 -8.552 1.00 0.00 H new ATOM 214 N HIS A 12 10.644 -3.080 -13.650 1.00 0.00 N ATOM 215 CA HIS A 12 10.041 -3.336 -14.947 1.00 0.00 C ATOM 216 C HIS A 12 11.032 -4.093 -15.833 1.00 0.00 C ATOM 217 O HIS A 12 11.598 -3.524 -16.765 1.00 0.00 O ATOM 218 CB HIS A 12 9.551 -2.034 -15.584 1.00 0.00 C ATOM 219 CG HIS A 12 8.052 -1.858 -15.544 1.00 0.00 C ATOM 220 ND1 HIS A 12 7.265 -1.865 -16.683 1.00 0.00 N ATOM 221 CD2 HIS A 12 7.204 -1.670 -14.492 1.00 0.00 C ATOM 222 CE1 HIS A 12 6.003 -1.688 -16.321 1.00 0.00 C ATOM 223 NE2 HIS A 12 5.968 -1.566 -14.963 1.00 0.00 N ATOM 0 H HIS A 12 9.979 -2.888 -12.901 1.00 0.00 H new ATOM 0 HA HIS A 12 9.161 -3.967 -14.825 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.019 -1.193 -15.073 1.00 0.00 H new ATOM 0 HB3 HIS A 12 9.883 -2.002 -16.622 1.00 0.00 H new ATOM 0 HD1 HIS A 12 7.600 -1.986 -17.639 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.490 -1.615 -13.452 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.152 -1.647 -16.984 1.00 0.00 H new ATOM 232 N ILE A 13 11.212 -5.366 -15.510 1.00 0.00 N ATOM 233 CA ILE A 13 12.125 -6.207 -16.265 1.00 0.00 C ATOM 234 C ILE A 13 11.359 -7.407 -16.827 1.00 0.00 C ATOM 235 O ILE A 13 11.465 -7.715 -18.013 1.00 0.00 O ATOM 236 CB ILE A 13 13.331 -6.595 -15.407 1.00 0.00 C ATOM 237 CG1 ILE A 13 13.230 -5.979 -14.010 1.00 0.00 C ATOM 238 CG2 ILE A 13 14.641 -6.223 -16.103 1.00 0.00 C ATOM 239 CD1 ILE A 13 14.480 -5.163 -13.678 1.00 0.00 C ATOM 0 H ILE A 13 10.741 -5.835 -14.736 1.00 0.00 H new ATOM 0 HA ILE A 13 12.531 -5.660 -17.116 1.00 0.00 H new ATOM 0 HB ILE A 13 13.328 -7.678 -15.283 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.349 -5.340 -13.954 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.099 -6.768 -13.269 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.482 -6.509 -15.472 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.708 -6.747 -17.057 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.668 -5.147 -16.277 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.382 -4.737 -12.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.356 -5.810 -13.711 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.594 -4.360 -14.406 1.00 0.00 H new ATOM 251 N ILE A 14 10.605 -8.051 -15.949 1.00 0.00 N ATOM 252 CA ILE A 14 9.822 -9.210 -16.342 1.00 0.00 C ATOM 253 C ILE A 14 8.970 -8.854 -17.562 1.00 0.00 C ATOM 254 O ILE A 14 8.578 -9.733 -18.328 1.00 0.00 O ATOM 255 CB ILE A 14 9.009 -9.735 -15.157 1.00 0.00 C ATOM 256 CG1 ILE A 14 9.919 -10.070 -13.974 1.00 0.00 C ATOM 257 CG2 ILE A 14 8.144 -10.928 -15.571 1.00 0.00 C ATOM 258 CD1 ILE A 14 10.228 -11.568 -13.926 1.00 0.00 C ATOM 0 H ILE A 14 10.520 -7.792 -14.966 1.00 0.00 H new ATOM 0 HA ILE A 14 10.477 -10.030 -16.637 1.00 0.00 H new ATOM 0 HB ILE A 14 8.333 -8.945 -14.830 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.848 -9.506 -14.054 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.440 -9.764 -13.044 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.576 -11.282 -14.710 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.456 -10.622 -16.359 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.783 -11.731 -15.939 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.877 -11.779 -13.076 1.00 0.00 H new ATOM 0 HD12 ILE A 14 9.299 -12.128 -13.821 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.729 -11.866 -14.847 1.00 0.00 H new ATOM 270 N LYS A 15 8.708 -7.563 -17.706 1.00 0.00 N ATOM 271 CA LYS A 15 7.910 -7.080 -18.820 1.00 0.00 C ATOM 272 C LYS A 15 8.778 -7.029 -20.079 1.00 0.00 C ATOM 273 O LYS A 15 8.266 -7.121 -21.194 1.00 0.00 O ATOM 274 CB LYS A 15 7.256 -5.742 -18.469 1.00 0.00 C ATOM 275 CG LYS A 15 6.063 -5.944 -17.533 1.00 0.00 C ATOM 276 CD LYS A 15 4.943 -4.951 -17.850 1.00 0.00 C ATOM 277 CE LYS A 15 3.644 -5.346 -17.144 1.00 0.00 C ATOM 278 NZ LYS A 15 2.482 -4.706 -17.800 1.00 0.00 N ATOM 0 H LYS A 15 9.035 -6.836 -17.069 1.00 0.00 H new ATOM 0 HA LYS A 15 7.088 -7.766 -19.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.988 -5.088 -17.995 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.927 -5.244 -19.381 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.689 -6.963 -17.630 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.383 -5.819 -16.498 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.241 -3.950 -17.538 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.779 -4.914 -18.927 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.528 -6.430 -17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.687 -5.048 -16.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.609 -4.985 -17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.587 -3.672 -17.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.433 -5.011 -18.793 1.00 0.00 H new ATOM 292 N LYS A 16 10.076 -6.883 -19.859 1.00 0.00 N ATOM 293 CA LYS A 16 11.020 -6.819 -20.962 1.00 0.00 C ATOM 294 C LYS A 16 11.557 -8.222 -21.250 1.00 0.00 C ATOM 295 O LYS A 16 12.696 -8.377 -21.686 1.00 0.00 O ATOM 296 CB LYS A 16 12.114 -5.789 -20.672 1.00 0.00 C ATOM 297 CG LYS A 16 11.572 -4.639 -19.821 1.00 0.00 C ATOM 298 CD LYS A 16 12.713 -3.861 -19.161 1.00 0.00 C ATOM 299 CE LYS A 16 12.334 -2.392 -18.967 1.00 0.00 C ATOM 300 NZ LYS A 16 12.805 -1.580 -20.112 1.00 0.00 N ATOM 0 H LYS A 16 10.497 -6.807 -18.933 1.00 0.00 H new ATOM 0 HA LYS A 16 10.523 -6.475 -21.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.943 -6.270 -20.154 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.508 -5.398 -21.610 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.982 -3.967 -20.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.904 -5.032 -19.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.953 -4.309 -18.197 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.610 -3.931 -19.777 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.252 -2.299 -18.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.772 -2.016 -18.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.540 -0.585 -19.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.839 -1.655 -20.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.367 -1.929 -20.988 1.00 0.00 H new ATOM 314 N TYR A 17 10.710 -9.209 -20.995 1.00 0.00 N ATOM 315 CA TYR A 17 11.086 -10.594 -21.221 1.00 0.00 C ATOM 316 C TYR A 17 10.050 -11.308 -22.093 1.00 0.00 C ATOM 317 O TYR A 17 8.979 -11.677 -21.614 1.00 0.00 O ATOM 318 CB TYR A 17 11.115 -11.255 -19.841 1.00 0.00 C ATOM 319 CG TYR A 17 12.511 -11.339 -19.221 1.00 0.00 C ATOM 320 CD1 TYR A 17 13.429 -12.246 -19.709 1.00 0.00 C ATOM 321 CD2 TYR A 17 12.851 -10.507 -18.173 1.00 0.00 C ATOM 322 CE1 TYR A 17 14.743 -12.325 -19.125 1.00 0.00 C ATOM 323 CE2 TYR A 17 14.165 -10.587 -17.589 1.00 0.00 C ATOM 324 CZ TYR A 17 15.046 -11.492 -18.094 1.00 0.00 C ATOM 325 OH TYR A 17 16.287 -11.567 -17.542 1.00 0.00 O ATOM 0 H TYR A 17 9.765 -9.077 -20.634 1.00 0.00 H new ATOM 0 HA TYR A 17 12.047 -10.652 -21.732 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.463 -10.698 -19.169 1.00 0.00 H new ATOM 0 HB3 TYR A 17 10.704 -12.261 -19.923 1.00 0.00 H new ATOM 0 HD1 TYR A 17 13.162 -12.897 -20.529 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.132 -9.797 -17.792 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.471 -13.030 -19.498 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.445 -9.943 -16.768 1.00 0.00 H new ATOM 0 HH TYR A 17 16.362 -10.913 -16.816 1.00 0.00 H new