USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 250 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 NoAdj-H: A 21 HIS HE2 : A 21 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD Set 1.1: A 27 SER OG : rot -9:sc= 0.416 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -121:sc= 0.00209 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 157:sc= -0.154 (180deg=-1.01) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -124:sc= 1.38 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot -138:sc= 1.07 USER MOD Single : A 12 SER OG : rot -140:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.167 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.071 K(o=-0.071,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc=-0.00451 (180deg=-0.115) USER MOD Single : A 20 THR OG1 : rot 92:sc= 0.48 USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0314 (180deg=-0.264) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.0818 (180deg=-0.576) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.538 4.379 0.234 1.00 0.00 N ATOM 2 CA LYS A 1 -13.778 5.415 -0.815 1.00 0.00 C ATOM 3 C LYS A 1 -12.588 6.396 -0.871 1.00 0.00 C ATOM 4 O LYS A 1 -12.738 7.596 -0.994 1.00 0.00 O ATOM 5 CB LYS A 1 -15.118 6.147 -0.479 1.00 0.00 C ATOM 6 CG LYS A 1 -15.079 6.813 0.929 1.00 0.00 C ATOM 7 CD LYS A 1 -16.513 7.264 1.319 1.00 0.00 C ATOM 8 CE LYS A 1 -16.504 7.976 2.684 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.895 8.349 3.071 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.447 3.979 0.541 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.941 3.622 -0.156 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.058 4.814 1.048 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.862 4.956 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.316 6.907 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.941 5.434 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.693 6.110 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.405 7.669 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.910 7.934 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.174 6.398 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.069 7.324 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.879 8.868 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.882 8.829 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.296 8.987 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.479 7.491 3.136 1.00 0.00 H new ATOM 25 N THR A 2 -11.423 5.807 -0.775 1.00 0.00 N ATOM 26 CA THR A 2 -10.131 6.557 -0.807 1.00 0.00 C ATOM 27 C THR A 2 -9.110 5.692 -1.577 1.00 0.00 C ATOM 28 O THR A 2 -9.478 4.850 -2.373 1.00 0.00 O ATOM 29 CB THR A 2 -9.736 6.835 0.681 1.00 0.00 C ATOM 30 OG1 THR A 2 -8.631 7.730 0.639 1.00 0.00 O ATOM 31 CG2 THR A 2 -9.254 5.577 1.443 1.00 0.00 C ATOM 0 H THR A 2 -11.312 4.798 -0.672 1.00 0.00 H new ATOM 0 HA THR A 2 -10.184 7.517 -1.321 1.00 0.00 H new ATOM 0 HB THR A 2 -10.618 7.216 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.878 7.344 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.998 5.848 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.049 4.831 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.376 5.165 0.946 1.00 0.00 H new ATOM 39 N TYR A 3 -7.860 5.934 -1.302 1.00 0.00 N ATOM 40 CA TYR A 3 -6.744 5.177 -1.964 1.00 0.00 C ATOM 41 C TYR A 3 -6.596 3.858 -1.183 1.00 0.00 C ATOM 42 O TYR A 3 -6.237 3.900 -0.026 1.00 0.00 O ATOM 43 CB TYR A 3 -5.406 5.950 -1.866 1.00 0.00 C ATOM 44 CG TYR A 3 -5.489 7.349 -2.496 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.120 8.388 -1.838 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.923 7.589 -3.734 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.182 9.642 -2.409 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.985 8.842 -4.302 1.00 0.00 C ATOM 49 CZ TYR A 3 -5.615 9.877 -3.645 1.00 0.00 C ATOM 50 OH TYR A 3 -5.672 11.133 -4.218 1.00 0.00 O ATOM 0 H TYR A 3 -7.551 6.639 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.971 5.024 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.119 6.043 -0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.622 5.378 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.568 8.217 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.428 6.787 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.678 10.446 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.537 9.015 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.221 11.117 -5.088 1.00 0.00 H new ATOM 60 N GLN A 4 -6.864 2.739 -1.816 1.00 0.00 N ATOM 61 CA GLN A 4 -6.749 1.411 -1.117 1.00 0.00 C ATOM 62 C GLN A 4 -5.502 0.651 -1.614 1.00 0.00 C ATOM 63 O GLN A 4 -4.867 1.074 -2.560 1.00 0.00 O ATOM 64 CB GLN A 4 -8.060 0.631 -1.410 1.00 0.00 C ATOM 65 CG GLN A 4 -8.151 -0.629 -0.522 1.00 0.00 C ATOM 66 CD GLN A 4 -9.503 -1.327 -0.706 1.00 0.00 C ATOM 67 OE1 GLN A 4 -10.549 -0.773 -0.429 1.00 0.00 O ATOM 68 NE2 GLN A 4 -9.526 -2.547 -1.168 1.00 0.00 N ATOM 0 H GLN A 4 -7.159 2.685 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.625 1.535 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.921 1.274 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.093 0.345 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.344 -1.317 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.018 -0.353 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.653 -3.020 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.417 -3.028 -1.294 1.00 0.00 H new ATOM 77 N CYS A 5 -5.188 -0.449 -0.969 1.00 0.00 N ATOM 78 CA CYS A 5 -3.991 -1.273 -1.355 1.00 0.00 C ATOM 79 C CYS A 5 -4.388 -2.475 -2.233 1.00 0.00 C ATOM 80 O CYS A 5 -5.552 -2.813 -2.328 1.00 0.00 O ATOM 81 CB CYS A 5 -3.324 -1.731 -0.044 1.00 0.00 C ATOM 82 SG CYS A 5 -1.878 -2.811 -0.124 1.00 0.00 S ATOM 0 H CYS A 5 -5.718 -0.818 -0.179 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.299 -0.682 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.036 -0.836 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.083 -2.241 0.550 1.00 0.00 H new ATOM 87 N GLN A 6 -3.391 -3.078 -2.845 1.00 0.00 N ATOM 88 CA GLN A 6 -3.612 -4.265 -3.745 1.00 0.00 C ATOM 89 C GLN A 6 -2.823 -5.492 -3.245 1.00 0.00 C ATOM 90 O GLN A 6 -2.451 -6.349 -4.024 1.00 0.00 O ATOM 91 CB GLN A 6 -3.137 -3.908 -5.170 1.00 0.00 C ATOM 92 CG GLN A 6 -3.752 -2.582 -5.656 1.00 0.00 C ATOM 93 CD GLN A 6 -3.165 -2.261 -7.035 1.00 0.00 C ATOM 94 OE1 GLN A 6 -3.525 -2.850 -8.034 1.00 0.00 O ATOM 95 NE2 GLN A 6 -2.252 -1.334 -7.126 1.00 0.00 N ATOM 0 H GLN A 6 -2.415 -2.793 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.674 -4.511 -3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.050 -3.832 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.409 -4.710 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.837 -2.665 -5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.531 -1.780 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.946 -0.836 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.844 -1.107 -8.033 1.00 0.00 H new ATOM 104 N TYR A 7 -2.591 -5.540 -1.959 1.00 0.00 N ATOM 105 CA TYR A 7 -1.827 -6.680 -1.348 1.00 0.00 C ATOM 106 C TYR A 7 -2.517 -7.189 -0.073 1.00 0.00 C ATOM 107 O TYR A 7 -2.766 -8.370 0.066 1.00 0.00 O ATOM 108 CB TYR A 7 -0.420 -6.195 -1.014 1.00 0.00 C ATOM 109 CG TYR A 7 0.312 -5.678 -2.266 1.00 0.00 C ATOM 110 CD1 TYR A 7 0.134 -4.371 -2.674 1.00 0.00 C ATOM 111 CD2 TYR A 7 1.150 -6.495 -3.000 1.00 0.00 C ATOM 112 CE1 TYR A 7 0.779 -3.887 -3.789 1.00 0.00 C ATOM 113 CE2 TYR A 7 1.799 -6.007 -4.118 1.00 0.00 C ATOM 114 CZ TYR A 7 1.615 -4.697 -4.519 1.00 0.00 C ATOM 115 OH TYR A 7 2.258 -4.187 -5.628 1.00 0.00 O ATOM 0 H TYR A 7 -2.900 -4.831 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 7 -1.788 -7.505 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.475 -5.401 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.150 -7.010 -0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.519 -3.721 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.299 -7.521 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.627 -2.862 -4.093 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.455 -6.654 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 7 2.240 -4.849 -6.350 1.00 0.00 H new ATOM 125 N CYS A 8 -2.799 -6.264 0.817 1.00 0.00 N ATOM 126 CA CYS A 8 -3.464 -6.600 2.117 1.00 0.00 C ATOM 127 C CYS A 8 -4.907 -6.091 2.162 1.00 0.00 C ATOM 128 O CYS A 8 -5.789 -6.828 2.556 1.00 0.00 O ATOM 129 CB CYS A 8 -2.683 -5.961 3.272 1.00 0.00 C ATOM 130 SG CYS A 8 -2.617 -4.152 3.353 1.00 0.00 S ATOM 0 H CYS A 8 -2.592 -5.273 0.693 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.476 -7.686 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.113 -6.322 4.206 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.659 -6.331 3.228 1.00 0.00 H new ATOM 135 N GLU A 9 -5.063 -4.855 1.750 1.00 0.00 N ATOM 136 CA GLU A 9 -6.370 -4.110 1.694 1.00 0.00 C ATOM 137 C GLU A 9 -6.146 -2.702 2.243 1.00 0.00 C ATOM 138 O GLU A 9 -6.503 -1.759 1.569 1.00 0.00 O ATOM 139 CB GLU A 9 -7.508 -4.747 2.576 1.00 0.00 C ATOM 140 CG GLU A 9 -8.802 -3.859 2.509 1.00 0.00 C ATOM 141 CD GLU A 9 -9.937 -4.370 3.428 1.00 0.00 C ATOM 142 OE1 GLU A 9 -9.785 -5.413 4.043 1.00 0.00 O ATOM 143 OE2 GLU A 9 -10.926 -3.654 3.461 1.00 0.00 O ATOM 0 H GLU A 9 -4.277 -4.291 1.426 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.688 -4.134 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.730 -5.755 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.172 -4.836 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.549 -2.836 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.161 -3.828 1.480 1.00 0.00 H new ATOM 150 N LEU A 10 -5.568 -2.620 3.425 1.00 0.00 N ATOM 151 CA LEU A 10 -5.281 -1.311 4.117 1.00 0.00 C ATOM 152 C LEU A 10 -5.210 -0.111 3.169 1.00 0.00 C ATOM 153 O LEU A 10 -4.528 -0.139 2.164 1.00 0.00 O ATOM 154 CB LEU A 10 -3.947 -1.461 4.902 1.00 0.00 C ATOM 155 CG LEU A 10 -3.647 -0.175 5.759 1.00 0.00 C ATOM 156 CD1 LEU A 10 -2.792 -0.580 6.980 1.00 0.00 C ATOM 157 CD2 LEU A 10 -2.821 0.864 4.948 1.00 0.00 C ATOM 0 H LEU A 10 -5.272 -3.438 3.958 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.115 -1.100 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.001 -2.332 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.128 -1.636 4.204 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.601 0.264 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.577 0.303 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.338 -1.306 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.856 -1.023 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.630 1.740 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.873 0.419 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.381 1.161 4.061 1.00 0.00 H new ATOM 169 N ARG A 11 -5.925 0.915 3.546 1.00 0.00 N ATOM 170 CA ARG A 11 -5.972 2.163 2.733 1.00 0.00 C ATOM 171 C ARG A 11 -5.293 3.349 3.413 1.00 0.00 C ATOM 172 O ARG A 11 -4.960 3.325 4.583 1.00 0.00 O ATOM 173 CB ARG A 11 -7.462 2.461 2.450 1.00 0.00 C ATOM 174 CG ARG A 11 -8.253 2.628 3.782 1.00 0.00 C ATOM 175 CD ARG A 11 -9.642 1.983 3.649 1.00 0.00 C ATOM 176 NE ARG A 11 -9.441 0.533 3.336 1.00 0.00 N ATOM 177 CZ ARG A 11 -9.762 -0.383 4.209 1.00 0.00 C ATOM 178 NH1 ARG A 11 -10.975 -0.864 4.204 1.00 0.00 N ATOM 179 NH2 ARG A 11 -8.853 -0.780 5.056 1.00 0.00 N ATOM 0 H ARG A 11 -6.487 0.940 4.397 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.414 2.012 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.549 3.369 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.895 1.651 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.704 2.165 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.355 3.686 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.208 2.100 4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.216 2.469 2.860 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.051 0.259 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.656 -0.524 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.242 -1.580 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.917 -0.376 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.078 -1.494 5.748 1.00 0.00 H new ATOM 193 N SER A 12 -5.126 4.353 2.597 1.00 0.00 N ATOM 194 CA SER A 12 -4.486 5.637 3.000 1.00 0.00 C ATOM 195 C SER A 12 -5.444 6.784 2.665 1.00 0.00 C ATOM 196 O SER A 12 -6.508 6.578 2.121 1.00 0.00 O ATOM 197 CB SER A 12 -3.177 5.813 2.227 1.00 0.00 C ATOM 198 OG SER A 12 -2.397 4.664 2.534 1.00 0.00 O ATOM 0 H SER A 12 -5.422 4.333 1.621 1.00 0.00 H new ATOM 0 HA SER A 12 -4.271 5.635 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.361 5.887 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.664 6.727 2.527 1.00 0.00 H new ATOM 0 HG SER A 12 -1.461 4.927 2.654 1.00 0.00 H new ATOM 204 N ALA A 13 -5.026 7.977 2.991 1.00 0.00 N ATOM 205 CA ALA A 13 -5.856 9.196 2.728 1.00 0.00 C ATOM 206 C ALA A 13 -5.346 9.927 1.482 1.00 0.00 C ATOM 207 O ALA A 13 -6.111 10.546 0.767 1.00 0.00 O ATOM 208 CB ALA A 13 -5.765 10.124 3.942 1.00 0.00 C ATOM 0 H ALA A 13 -4.128 8.165 3.437 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.891 8.901 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.365 11.016 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.139 9.606 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.726 10.412 4.103 1.00 0.00 H new ATOM 214 N ASP A 14 -4.060 9.826 1.271 1.00 0.00 N ATOM 215 CA ASP A 14 -3.399 10.482 0.101 1.00 0.00 C ATOM 216 C ASP A 14 -2.781 9.411 -0.812 1.00 0.00 C ATOM 217 O ASP A 14 -3.150 8.253 -0.751 1.00 0.00 O ATOM 218 CB ASP A 14 -2.313 11.433 0.642 1.00 0.00 C ATOM 219 CG ASP A 14 -2.865 12.241 1.834 1.00 0.00 C ATOM 220 OD1 ASP A 14 -3.797 12.997 1.605 1.00 0.00 O ATOM 221 OD2 ASP A 14 -2.321 12.050 2.908 1.00 0.00 O ATOM 0 H ASP A 14 -3.424 9.304 1.874 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.123 11.047 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.439 10.861 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.986 12.110 -0.147 1.00 0.00 H new ATOM 226 N SER A 15 -1.852 9.841 -1.629 1.00 0.00 N ATOM 227 CA SER A 15 -1.154 8.925 -2.579 1.00 0.00 C ATOM 228 C SER A 15 0.202 8.569 -1.949 1.00 0.00 C ATOM 229 O SER A 15 0.499 7.404 -1.781 1.00 0.00 O ATOM 230 CB SER A 15 -0.986 9.660 -3.934 1.00 0.00 C ATOM 231 OG SER A 15 -0.326 10.884 -3.637 1.00 0.00 O ATOM 0 H SER A 15 -1.542 10.812 -1.677 1.00 0.00 H new ATOM 0 HA SER A 15 -1.714 8.008 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.402 9.061 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.954 9.842 -4.402 1.00 0.00 H new ATOM 0 HG SER A 15 -0.192 11.392 -4.464 1.00 0.00 H new ATOM 237 N SER A 16 0.977 9.579 -1.630 1.00 0.00 N ATOM 238 CA SER A 16 2.329 9.391 -0.998 1.00 0.00 C ATOM 239 C SER A 16 2.267 8.326 0.113 1.00 0.00 C ATOM 240 O SER A 16 3.067 7.414 0.165 1.00 0.00 O ATOM 241 CB SER A 16 2.791 10.738 -0.416 1.00 0.00 C ATOM 242 OG SER A 16 4.086 10.473 0.107 1.00 0.00 O ATOM 0 H SER A 16 0.723 10.555 -1.785 1.00 0.00 H new ATOM 0 HA SER A 16 3.038 9.048 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.823 11.512 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.113 11.088 0.362 1.00 0.00 H new ATOM 0 HG SER A 16 4.454 11.292 0.499 1.00 0.00 H new ATOM 248 N ASN A 17 1.302 8.506 0.978 1.00 0.00 N ATOM 249 CA ASN A 17 1.070 7.577 2.130 1.00 0.00 C ATOM 250 C ASN A 17 1.042 6.115 1.650 1.00 0.00 C ATOM 251 O ASN A 17 1.848 5.295 2.046 1.00 0.00 O ATOM 252 CB ASN A 17 -0.270 7.944 2.788 1.00 0.00 C ATOM 253 CG ASN A 17 -0.218 9.350 3.399 1.00 0.00 C ATOM 254 OD1 ASN A 17 0.137 10.318 2.756 1.00 0.00 O ATOM 255 ND2 ASN A 17 -0.569 9.509 4.646 1.00 0.00 N ATOM 0 H ASN A 17 0.643 9.283 0.933 1.00 0.00 H new ATOM 0 HA ASN A 17 1.881 7.678 2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.068 7.895 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.510 7.216 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.543 10.437 5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.869 8.705 5.198 1.00 0.00 H new ATOM 262 N LEU A 18 0.094 5.839 0.790 1.00 0.00 N ATOM 263 CA LEU A 18 -0.065 4.461 0.232 1.00 0.00 C ATOM 264 C LEU A 18 1.234 3.989 -0.434 1.00 0.00 C ATOM 265 O LEU A 18 1.719 2.925 -0.115 1.00 0.00 O ATOM 266 CB LEU A 18 -1.234 4.488 -0.784 1.00 0.00 C ATOM 267 CG LEU A 18 -1.488 3.079 -1.394 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.945 2.082 -0.301 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.590 3.181 -2.457 1.00 0.00 C ATOM 0 H LEU A 18 -0.585 6.518 0.447 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.287 3.756 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.139 4.841 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.009 5.196 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.559 2.721 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.117 1.104 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.172 2.000 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.869 2.439 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.772 2.196 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.506 3.551 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.275 3.868 -3.242 1.00 0.00 H new ATOM 281 N LYS A 19 1.751 4.789 -1.338 1.00 0.00 N ATOM 282 CA LYS A 19 3.024 4.456 -2.066 1.00 0.00 C ATOM 283 C LYS A 19 4.029 3.834 -1.078 1.00 0.00 C ATOM 284 O LYS A 19 4.520 2.736 -1.267 1.00 0.00 O ATOM 285 CB LYS A 19 3.568 5.763 -2.685 1.00 0.00 C ATOM 286 CG LYS A 19 4.886 5.491 -3.442 1.00 0.00 C ATOM 287 CD LYS A 19 5.294 6.724 -4.288 1.00 0.00 C ATOM 288 CE LYS A 19 5.544 7.978 -3.417 1.00 0.00 C ATOM 289 NZ LYS A 19 6.659 7.745 -2.455 1.00 0.00 N ATOM 0 H LYS A 19 1.335 5.680 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 19 2.851 3.729 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.830 6.185 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.737 6.502 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.677 5.253 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.767 4.622 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.197 6.491 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.510 6.939 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.782 8.828 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.636 8.234 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.898 8.638 -1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.366 7.042 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.492 7.393 -2.968 1.00 0.00 H new ATOM 303 N THR A 20 4.281 4.597 -0.045 1.00 0.00 N ATOM 304 CA THR A 20 5.220 4.193 1.043 1.00 0.00 C ATOM 305 C THR A 20 4.774 2.838 1.624 1.00 0.00 C ATOM 306 O THR A 20 5.543 1.896 1.603 1.00 0.00 O ATOM 307 CB THR A 20 5.194 5.295 2.115 1.00 0.00 C ATOM 308 OG1 THR A 20 5.595 6.460 1.408 1.00 0.00 O ATOM 309 CG2 THR A 20 6.287 5.097 3.177 1.00 0.00 C ATOM 0 H THR A 20 3.859 5.515 0.092 1.00 0.00 H new ATOM 0 HA THR A 20 6.237 4.076 0.667 1.00 0.00 H new ATOM 0 HB THR A 20 4.219 5.320 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.803 6.922 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.229 5.899 3.913 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.142 4.138 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.266 5.113 2.699 1.00 0.00 H new ATOM 317 N HIS A 21 3.554 2.791 2.123 1.00 0.00 N ATOM 318 CA HIS A 21 2.990 1.527 2.716 1.00 0.00 C ATOM 319 C HIS A 21 3.426 0.308 1.870 1.00 0.00 C ATOM 320 O HIS A 21 4.096 -0.585 2.350 1.00 0.00 O ATOM 321 CB HIS A 21 1.435 1.672 2.765 1.00 0.00 C ATOM 322 CG HIS A 21 0.802 0.310 3.033 1.00 0.00 C ATOM 323 ND1 HIS A 21 0.771 -0.305 4.168 1.00 0.00 N ATOM 324 CD2 HIS A 21 0.166 -0.540 2.153 1.00 0.00 C ATOM 325 CE1 HIS A 21 0.173 -1.444 4.023 1.00 0.00 C ATOM 326 NE2 HIS A 21 -0.214 -1.626 2.786 1.00 0.00 N ATOM 0 H HIS A 21 2.917 3.587 2.144 1.00 0.00 H new ATOM 0 HA HIS A 21 3.366 1.367 3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.150 2.377 3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.067 2.076 1.822 1.00 0.00 H new ATOM 0 HD1 HIS A 21 1.157 0.051 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.005 -0.343 1.103 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.014 -2.154 4.821 1.00 0.00 H new ATOM 334 N ILE A 22 3.018 0.339 0.626 1.00 0.00 N ATOM 335 CA ILE A 22 3.339 -0.742 -0.355 1.00 0.00 C ATOM 336 C ILE A 22 4.841 -1.094 -0.323 1.00 0.00 C ATOM 337 O ILE A 22 5.214 -2.181 0.065 1.00 0.00 O ATOM 338 CB ILE A 22 2.929 -0.259 -1.788 1.00 0.00 C ATOM 339 CG1 ILE A 22 1.426 0.173 -1.870 1.00 0.00 C ATOM 340 CG2 ILE A 22 3.238 -1.367 -2.829 1.00 0.00 C ATOM 341 CD1 ILE A 22 0.459 -0.973 -1.559 1.00 0.00 C ATOM 0 H ILE A 22 2.456 1.096 0.238 1.00 0.00 H new ATOM 0 HA ILE A 22 2.783 -1.641 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 22 3.521 0.627 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.249 0.990 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.217 0.557 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.950 -1.023 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.305 -1.590 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.676 -2.267 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.567 -0.613 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.611 -1.782 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.644 -1.341 -0.550 1.00 0.00 H new ATOM 353 N LYS A 23 5.647 -0.149 -0.738 1.00 0.00 N ATOM 354 CA LYS A 23 7.135 -0.315 -0.778 1.00 0.00 C ATOM 355 C LYS A 23 7.770 -1.086 0.396 1.00 0.00 C ATOM 356 O LYS A 23 8.593 -1.951 0.174 1.00 0.00 O ATOM 357 CB LYS A 23 7.769 1.096 -0.874 1.00 0.00 C ATOM 358 CG LYS A 23 9.330 1.052 -0.855 1.00 0.00 C ATOM 359 CD LYS A 23 9.936 0.201 -2.006 1.00 0.00 C ATOM 360 CE LYS A 23 9.556 0.773 -3.385 1.00 0.00 C ATOM 361 NZ LYS A 23 10.076 2.164 -3.530 1.00 0.00 N ATOM 0 H LYS A 23 5.324 0.763 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 23 7.341 -0.939 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.433 1.580 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.416 1.707 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.716 2.069 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.663 0.648 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.021 0.173 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.582 -0.827 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.964 0.141 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.472 0.769 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.026 2.451 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.501 2.811 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.064 2.200 -3.208 1.00 0.00 H new ATOM 375 N THR A 24 7.369 -0.754 1.598 1.00 0.00 N ATOM 376 CA THR A 24 7.941 -1.441 2.805 1.00 0.00 C ATOM 377 C THR A 24 7.220 -2.664 3.391 1.00 0.00 C ATOM 378 O THR A 24 7.881 -3.540 3.917 1.00 0.00 O ATOM 379 CB THR A 24 8.111 -0.337 3.891 1.00 0.00 C ATOM 380 OG1 THR A 24 8.662 -0.982 5.033 1.00 0.00 O ATOM 381 CG2 THR A 24 6.764 0.214 4.384 1.00 0.00 C ATOM 0 H THR A 24 6.671 -0.038 1.799 1.00 0.00 H new ATOM 0 HA THR A 24 8.867 -1.903 2.462 1.00 0.00 H new ATOM 0 HB THR A 24 8.710 0.467 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.791 -0.326 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.939 0.980 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.220 0.649 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.176 -0.595 4.817 1.00 0.00 H new ATOM 389 N LYS A 25 5.923 -2.715 3.297 1.00 0.00 N ATOM 390 CA LYS A 25 5.173 -3.889 3.860 1.00 0.00 C ATOM 391 C LYS A 25 4.901 -4.994 2.831 1.00 0.00 C ATOM 392 O LYS A 25 4.591 -6.107 3.213 1.00 0.00 O ATOM 393 CB LYS A 25 3.825 -3.402 4.444 1.00 0.00 C ATOM 394 CG LYS A 25 4.099 -2.379 5.565 1.00 0.00 C ATOM 395 CD LYS A 25 2.840 -2.194 6.425 1.00 0.00 C ATOM 396 CE LYS A 25 3.152 -1.189 7.542 1.00 0.00 C ATOM 397 NZ LYS A 25 1.965 -1.020 8.428 1.00 0.00 N ATOM 0 H LYS A 25 5.343 -2.000 2.857 1.00 0.00 H new ATOM 0 HA LYS A 25 5.808 -4.323 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.218 -2.948 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.258 -4.247 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.927 -2.721 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.398 -1.424 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.013 -1.834 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.529 -3.148 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.004 -1.536 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.432 -0.228 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.188 -0.337 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.162 -0.669 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.716 -1.936 8.854 1.00 0.00 H new ATOM 411 N HIS A 26 5.020 -4.670 1.568 1.00 0.00 N ATOM 412 CA HIS A 26 4.778 -5.671 0.482 1.00 0.00 C ATOM 413 C HIS A 26 6.004 -5.825 -0.424 1.00 0.00 C ATOM 414 O HIS A 26 6.397 -6.929 -0.743 1.00 0.00 O ATOM 415 CB HIS A 26 3.571 -5.209 -0.343 1.00 0.00 C ATOM 416 CG HIS A 26 2.342 -5.127 0.567 1.00 0.00 C ATOM 417 ND1 HIS A 26 1.932 -6.084 1.336 1.00 0.00 N ATOM 418 CD2 HIS A 26 1.429 -4.108 0.772 1.00 0.00 C ATOM 419 CE1 HIS A 26 0.863 -5.718 1.968 1.00 0.00 C ATOM 420 NE2 HIS A 26 0.517 -4.497 1.642 1.00 0.00 N ATOM 0 H HIS A 26 5.279 -3.740 1.238 1.00 0.00 H new ATOM 0 HA HIS A 26 4.583 -6.644 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.772 -4.236 -0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.387 -5.905 -1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.385 -6.993 1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.458 -3.141 0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.327 -6.338 2.672 1.00 0.00 H new ATOM 428 N SER A 27 6.555 -4.695 -0.797 1.00 0.00 N ATOM 429 CA SER A 27 7.764 -4.586 -1.687 1.00 0.00 C ATOM 430 C SER A 27 7.759 -5.496 -2.940 1.00 0.00 C ATOM 431 O SER A 27 8.790 -5.692 -3.555 1.00 0.00 O ATOM 432 CB SER A 27 9.034 -4.899 -0.842 1.00 0.00 C ATOM 433 OG SER A 27 8.986 -6.293 -0.562 1.00 0.00 O ATOM 0 H SER A 27 6.194 -3.788 -0.503 1.00 0.00 H new ATOM 0 HA SER A 27 7.753 -3.566 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.940 -4.642 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.043 -4.316 0.079 1.00 0.00 H new ATOM 0 HG SER A 27 8.117 -6.652 -0.837 1.00 0.00 H new ATOM 439 N LYS A 28 6.605 -6.014 -3.282 1.00 0.00 N ATOM 440 CA LYS A 28 6.452 -6.916 -4.471 1.00 0.00 C ATOM 441 C LYS A 28 5.493 -6.296 -5.494 1.00 0.00 C ATOM 442 O LYS A 28 4.970 -5.216 -5.303 1.00 0.00 O ATOM 443 CB LYS A 28 5.910 -8.303 -3.990 1.00 0.00 C ATOM 444 CG LYS A 28 7.060 -9.331 -3.763 1.00 0.00 C ATOM 445 CD LYS A 28 8.038 -8.869 -2.668 1.00 0.00 C ATOM 446 CE LYS A 28 9.177 -9.881 -2.513 1.00 0.00 C ATOM 447 NZ LYS A 28 10.178 -9.336 -1.552 1.00 0.00 N ATOM 0 H LYS A 28 5.737 -5.845 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 28 7.421 -7.049 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.352 -8.173 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.213 -8.696 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.635 -10.296 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.604 -9.479 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.444 -7.890 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.509 -8.758 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.789 -10.834 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.646 -10.072 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.103 -9.259 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.874 -8.395 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.256 -9.973 -0.734 1.00 0.00 H new ATOM 461 N GLU A 29 5.279 -7.019 -6.563 1.00 0.00 N ATOM 462 CA GLU A 29 4.368 -6.543 -7.649 1.00 0.00 C ATOM 463 C GLU A 29 2.952 -7.064 -7.379 1.00 0.00 C ATOM 464 O GLU A 29 1.996 -6.313 -7.414 1.00 0.00 O ATOM 465 CB GLU A 29 4.911 -7.074 -8.996 1.00 0.00 C ATOM 466 CG GLU A 29 3.951 -6.712 -10.157 1.00 0.00 C ATOM 467 CD GLU A 29 3.759 -5.185 -10.234 1.00 0.00 C ATOM 468 OE1 GLU A 29 4.730 -4.526 -10.569 1.00 0.00 O ATOM 469 OE2 GLU A 29 2.651 -4.764 -9.947 1.00 0.00 O ATOM 0 H GLU A 29 5.702 -7.931 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 29 4.328 -5.454 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.897 -6.651 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.033 -8.156 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.353 -7.083 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.988 -7.200 -10.007 1.00 0.00 H new ATOM 476 N LYS A 30 2.879 -8.344 -7.122 1.00 0.00 N ATOM 477 CA LYS A 30 1.577 -9.020 -6.831 1.00 0.00 C ATOM 478 C LYS A 30 1.639 -9.709 -5.462 1.00 0.00 C ATOM 479 O LYS A 30 2.419 -9.364 -4.594 1.00 0.00 O ATOM 480 CB LYS A 30 1.291 -10.053 -7.943 1.00 0.00 C ATOM 481 CG LYS A 30 2.510 -11.000 -8.145 1.00 0.00 C ATOM 482 CD LYS A 30 2.191 -12.069 -9.224 1.00 0.00 C ATOM 483 CE LYS A 30 1.156 -13.087 -8.699 1.00 0.00 C ATOM 484 NZ LYS A 30 1.715 -13.824 -7.530 1.00 0.00 N ATOM 0 H LYS A 30 3.688 -8.965 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 30 0.774 -8.283 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.409 -10.639 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.067 -9.537 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.383 -10.421 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.760 -11.488 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.807 -11.583 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.106 -12.588 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.240 -12.571 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.891 -13.789 -9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.209 -14.725 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.726 -14.012 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.601 -13.250 -6.671 1.00 0.00 H new TER 498 LYS A 30 HETATM 499 ZN ZN A 31 -1.012 -3.256 1.966 1.00 0.00 ZN