USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 254 hydrogens (15 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 10 ALC H2 : A 10 ALC N : A 9 GLU C :(H bumps) USER MOD NoAdj-H: A 10 ALC H : A 10 ALC N : A 9 GLU C :(H bumps) 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 6 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.79) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc=0.000652 USER MOD Single : A 1 LYS N :NH3+ -125:sc= 0.113 (180deg=-0.24) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -3.32! C(o=-4.5!,f=-3.3!) USER MOD Single : A 12 SER OG : rot -170:sc= -0.539 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -79:sc= 0.662 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.566 F(o=-7.1!,f=-0.57) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0584 (180deg=-0.425) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 86:sc= 0.62 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc=-0.000466 (180deg=-0.218) USER MOD Single : A 27 SER OG : rot -140:sc= -0.539 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0405 (180deg=-0.266) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0516 (180deg=-0.386) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.312 16.336 -4.016 1.00 0.00 N ATOM 2 CA LYS A 1 -6.776 15.128 -3.273 1.00 0.00 C ATOM 3 C LYS A 1 -5.659 14.069 -3.240 1.00 0.00 C ATOM 4 O LYS A 1 -4.553 14.323 -3.678 1.00 0.00 O ATOM 5 CB LYS A 1 -8.049 14.552 -3.964 1.00 0.00 C ATOM 6 CG LYS A 1 -9.222 15.556 -3.802 1.00 0.00 C ATOM 7 CD LYS A 1 -10.514 14.957 -4.414 1.00 0.00 C ATOM 8 CE LYS A 1 -11.670 15.969 -4.253 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.942 15.404 -4.789 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.424 17.177 -3.415 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.310 16.223 -4.271 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.878 16.450 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.021 15.404 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.853 14.372 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.314 13.592 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.378 15.780 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.978 16.497 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.359 14.729 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.764 14.019 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.794 16.223 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.427 16.893 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.707 16.099 -4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.826 15.184 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.181 14.535 -4.271 1.00 0.00 H new ATOM 25 N THR A 2 -5.986 12.913 -2.717 1.00 0.00 N ATOM 26 CA THR A 2 -4.997 11.790 -2.617 1.00 0.00 C ATOM 27 C THR A 2 -5.451 10.604 -3.481 1.00 0.00 C ATOM 28 O THR A 2 -6.548 10.596 -4.004 1.00 0.00 O ATOM 29 CB THR A 2 -4.874 11.335 -1.139 1.00 0.00 C ATOM 30 OG1 THR A 2 -6.187 10.951 -0.755 1.00 0.00 O ATOM 31 CG2 THR A 2 -4.522 12.510 -0.206 1.00 0.00 C ATOM 0 H THR A 2 -6.912 12.695 -2.348 1.00 0.00 H new ATOM 0 HA THR A 2 -4.029 12.140 -2.975 1.00 0.00 H new ATOM 0 HB THR A 2 -4.110 10.561 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.180 10.648 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.445 12.150 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.570 12.944 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.302 13.269 -0.266 1.00 0.00 H new ATOM 39 N TYR A 3 -4.571 9.644 -3.588 1.00 0.00 N ATOM 40 CA TYR A 3 -4.842 8.407 -4.392 1.00 0.00 C ATOM 41 C TYR A 3 -4.747 7.204 -3.448 1.00 0.00 C ATOM 42 O TYR A 3 -4.047 7.281 -2.459 1.00 0.00 O ATOM 43 CB TYR A 3 -3.789 8.282 -5.507 1.00 0.00 C ATOM 44 CG TYR A 3 -3.741 9.576 -6.338 1.00 0.00 C ATOM 45 CD1 TYR A 3 -4.849 10.004 -7.046 1.00 0.00 C ATOM 46 CD2 TYR A 3 -2.584 10.333 -6.384 1.00 0.00 C ATOM 47 CE1 TYR A 3 -4.799 11.166 -7.788 1.00 0.00 C ATOM 48 CE2 TYR A 3 -2.538 11.495 -7.126 1.00 0.00 C ATOM 49 CZ TYR A 3 -3.643 11.918 -7.833 1.00 0.00 C ATOM 50 OH TYR A 3 -3.588 13.082 -8.574 1.00 0.00 O ATOM 0 H TYR A 3 -3.653 9.663 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.831 8.452 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.809 8.084 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.029 7.436 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.760 9.425 -7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.711 10.012 -5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.671 11.489 -8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.629 12.078 -7.153 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.697 13.482 -8.490 1.00 0.00 H new ATOM 60 N GLN A 4 -5.427 6.138 -3.795 1.00 0.00 N ATOM 61 CA GLN A 4 -5.423 4.897 -2.953 1.00 0.00 C ATOM 62 C GLN A 4 -4.505 3.843 -3.603 1.00 0.00 C ATOM 63 O GLN A 4 -4.329 3.878 -4.806 1.00 0.00 O ATOM 64 CB GLN A 4 -6.874 4.365 -2.867 1.00 0.00 C ATOM 65 CG GLN A 4 -7.038 3.348 -1.718 1.00 0.00 C ATOM 66 CD GLN A 4 -7.269 4.113 -0.410 1.00 0.00 C ATOM 67 OE1 GLN A 4 -6.301 4.214 0.451 1.00 0.00 O flip ATOM 68 NE2 GLN A 4 -8.339 4.633 -0.163 1.00 0.00 N flip ATOM 0 H GLN A 4 -5.994 6.073 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.051 5.113 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.560 5.199 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.147 3.895 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.878 2.683 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.149 2.723 -1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.107 4.561 -0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.469 5.141 0.712 1.00 0.00 H new ATOM 77 N CYS A 5 -3.950 2.939 -2.819 1.00 0.00 N ATOM 78 CA CYS A 5 -3.055 1.890 -3.411 1.00 0.00 C ATOM 79 C CYS A 5 -3.821 0.983 -4.397 1.00 0.00 C ATOM 80 O CYS A 5 -5.002 1.161 -4.630 1.00 0.00 O ATOM 81 CB CYS A 5 -2.471 1.061 -2.257 1.00 0.00 C ATOM 82 SG CYS A 5 -1.362 -0.311 -2.658 1.00 0.00 S ATOM 0 H CYS A 5 -4.077 2.884 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.257 2.369 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.932 1.742 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.305 0.657 -1.683 1.00 0.00 H new ATOM 87 N GLN A 6 -3.104 0.035 -4.938 1.00 0.00 N ATOM 88 CA GLN A 6 -3.675 -0.940 -5.919 1.00 0.00 C ATOM 89 C GLN A 6 -4.011 -2.272 -5.215 1.00 0.00 C ATOM 90 O GLN A 6 -4.853 -3.016 -5.677 1.00 0.00 O ATOM 91 CB GLN A 6 -2.620 -1.128 -7.022 1.00 0.00 C ATOM 92 CG GLN A 6 -3.144 -2.027 -8.172 1.00 0.00 C ATOM 93 CD GLN A 6 -2.184 -3.209 -8.354 1.00 0.00 C ATOM 94 OE1 GLN A 6 -1.014 -3.046 -8.638 1.00 0.00 O ATOM 95 NE2 GLN A 6 -2.640 -4.418 -8.197 1.00 0.00 N ATOM 0 H GLN A 6 -2.115 -0.110 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.606 -0.574 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.335 -0.155 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.721 -1.572 -6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.147 -2.387 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.216 -1.454 -9.096 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.621 -4.566 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.017 -5.217 -8.312 1.00 0.00 H new ATOM 104 N TYR A 7 -3.340 -2.524 -4.117 1.00 0.00 N ATOM 105 CA TYR A 7 -3.558 -3.778 -3.327 1.00 0.00 C ATOM 106 C TYR A 7 -4.218 -3.502 -1.974 1.00 0.00 C ATOM 107 O TYR A 7 -5.102 -4.235 -1.574 1.00 0.00 O ATOM 108 CB TYR A 7 -2.204 -4.471 -3.097 1.00 0.00 C ATOM 109 CG TYR A 7 -1.697 -5.065 -4.418 1.00 0.00 C ATOM 110 CD1 TYR A 7 -2.403 -6.088 -5.025 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.540 -4.604 -5.017 1.00 0.00 C ATOM 112 CE1 TYR A 7 -1.964 -6.638 -6.210 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.101 -5.156 -6.204 1.00 0.00 C ATOM 114 CZ TYR A 7 -0.811 -6.176 -6.807 1.00 0.00 C ATOM 115 OH TYR A 7 -0.380 -6.727 -7.997 1.00 0.00 O ATOM 0 H TYR A 7 -2.635 -1.899 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.230 -4.418 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.480 -3.756 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.309 -5.258 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.307 -6.459 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.024 -3.808 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.526 -7.435 -6.673 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.804 -4.788 -6.664 1.00 0.00 H new ATOM 0 HH TYR A 7 0.448 -6.286 -8.281 1.00 0.00 H new ATOM 125 N CYS A 8 -3.778 -2.462 -1.310 1.00 0.00 N ATOM 126 CA CYS A 8 -4.358 -2.111 0.027 1.00 0.00 C ATOM 127 C CYS A 8 -5.124 -0.794 -0.062 1.00 0.00 C ATOM 128 O CYS A 8 -5.451 -0.325 -1.136 1.00 0.00 O ATOM 129 CB CYS A 8 -3.228 -1.970 1.043 1.00 0.00 C ATOM 130 SG CYS A 8 -2.249 -0.452 0.953 1.00 0.00 S ATOM 0 H CYS A 8 -3.040 -1.838 -1.636 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.042 -2.900 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.657 -2.041 2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.554 -2.818 0.924 1.00 0.00 H new ATOM 135 N GLU A 9 -5.383 -0.252 1.099 1.00 0.00 N ATOM 136 CA GLU A 9 -6.120 1.034 1.203 1.00 0.00 C ATOM 137 C GLU A 9 -5.156 2.076 1.799 1.00 0.00 C ATOM 138 O GLU A 9 -5.407 2.658 2.838 1.00 0.00 O ATOM 139 CB GLU A 9 -7.358 0.791 2.103 1.00 0.00 C ATOM 140 CG GLU A 9 -8.326 1.995 2.015 1.00 0.00 C ATOM 141 CD GLU A 9 -9.518 1.766 2.962 1.00 0.00 C ATOM 142 OE1 GLU A 9 -10.270 0.844 2.684 1.00 0.00 O ATOM 143 OE2 GLU A 9 -9.608 2.525 3.915 1.00 0.00 O ATOM 0 H GLU A 9 -5.108 -0.657 1.994 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.467 1.405 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.870 -0.120 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.043 0.643 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.805 2.914 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.679 2.117 0.991 1.00 0.00 H new HETATM 150 N ALC A 10 -4.063 2.275 1.100 1.00 0.00 N HETATM 151 CA ALC A 10 -3.030 3.267 1.550 1.00 0.00 C HETATM 152 C ALC A 10 -3.222 4.553 0.747 1.00 0.00 C HETATM 153 O ALC A 10 -3.586 4.494 -0.410 1.00 0.00 O HETATM 154 CB ALC A 10 -1.637 2.730 1.187 1.00 0.00 C HETATM 155 CG ALC A 10 -0.512 3.665 1.742 1.00 0.00 C HETATM 156 CD2 ALC A 10 0.237 2.986 2.913 1.00 0.00 C HETATM 157 CE2 ALC A 10 1.380 3.907 3.416 1.00 0.00 C HETATM 158 CZ ALC A 10 2.358 4.240 2.264 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.597 4.920 1.105 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.488 3.976 0.593 1.00 0.00 C HETATM 0 HE23 ALC A 10 1.919 3.417 4.227 1.00 0.00 H new HETATM 0 HE22 ALC A 10 0.961 4.828 3.822 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.286 5.162 0.296 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.161 5.860 1.444 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.646 2.029 2.588 1.00 0.00 H new HETATM 0 HD22 ALC A 10 -0.457 2.776 3.727 1.00 0.00 H new HETATM 0 HD13 ALC A 10 0.928 3.051 0.222 1.00 0.00 H new HETATM 0 HD12 ALC A 10 -0.037 4.437 -0.243 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 2.839 3.328 1.909 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 3.149 4.897 2.626 1.00 0.00 H new HETATM 0 HG ALC A 10 -0.962 4.586 2.113 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.513 1.726 1.593 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.546 2.649 0.104 1.00 0.00 H new HETATM 0 HA ALC A 10 -3.124 3.438 2.622 1.00 0.00 H new ATOM 176 N ARG A 11 -2.961 5.667 1.382 1.00 0.00 N ATOM 177 CA ARG A 11 -3.116 6.982 0.699 1.00 0.00 C ATOM 178 C ARG A 11 -1.789 7.717 0.501 1.00 0.00 C ATOM 179 O ARG A 11 -1.015 7.904 1.419 1.00 0.00 O ATOM 180 CB ARG A 11 -4.072 7.891 1.519 1.00 0.00 C ATOM 181 CG ARG A 11 -5.553 7.444 1.402 1.00 0.00 C ATOM 182 CD ARG A 11 -5.968 7.397 -0.080 1.00 0.00 C ATOM 183 NE ARG A 11 -7.452 7.325 -0.183 1.00 0.00 N ATOM 184 CZ ARG A 11 -8.091 8.180 -0.936 1.00 0.00 C ATOM 185 NH1 ARG A 11 -7.792 8.248 -2.206 1.00 0.00 N ATOM 186 NH2 ARG A 11 -9.003 8.939 -0.395 1.00 0.00 N ATOM 0 H ARG A 11 -2.645 5.720 2.350 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.526 6.771 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.772 7.878 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.977 8.920 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.683 6.462 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.195 8.136 1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.600 8.282 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.518 6.532 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.967 6.611 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.071 7.640 -2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.280 8.909 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.208 8.859 0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.512 9.612 -0.968 1.00 0.00 H new ATOM 200 N SER A 12 -1.605 8.098 -0.737 1.00 0.00 N ATOM 201 CA SER A 12 -0.385 8.845 -1.181 1.00 0.00 C ATOM 202 C SER A 12 -0.887 10.099 -1.906 1.00 0.00 C ATOM 203 O SER A 12 -2.070 10.232 -2.151 1.00 0.00 O ATOM 204 CB SER A 12 0.449 7.993 -2.155 1.00 0.00 C ATOM 205 OG SER A 12 0.738 6.801 -1.442 1.00 0.00 O ATOM 0 H SER A 12 -2.273 7.916 -1.486 1.00 0.00 H new ATOM 0 HA SER A 12 0.248 9.092 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.105 7.782 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.363 8.509 -2.448 1.00 0.00 H new ATOM 0 HG SER A 12 1.398 6.274 -1.939 1.00 0.00 H new ATOM 211 N ALA A 13 0.027 10.969 -2.242 1.00 0.00 N ATOM 212 CA ALA A 13 -0.327 12.240 -2.953 1.00 0.00 C ATOM 213 C ALA A 13 0.121 12.171 -4.412 1.00 0.00 C ATOM 214 O ALA A 13 -0.384 12.895 -5.248 1.00 0.00 O ATOM 215 CB ALA A 13 0.371 13.407 -2.257 1.00 0.00 C ATOM 0 H ALA A 13 1.022 10.854 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.407 12.382 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.120 14.337 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.042 13.461 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.450 13.256 -2.288 1.00 0.00 H new ATOM 221 N ASP A 14 1.063 11.297 -4.659 1.00 0.00 N ATOM 222 CA ASP A 14 1.612 11.109 -6.034 1.00 0.00 C ATOM 223 C ASP A 14 1.431 9.617 -6.381 1.00 0.00 C ATOM 224 O ASP A 14 0.950 8.851 -5.567 1.00 0.00 O ATOM 225 CB ASP A 14 3.098 11.578 -5.967 1.00 0.00 C ATOM 226 CG ASP A 14 3.678 11.845 -7.370 1.00 0.00 C ATOM 227 OD1 ASP A 14 3.972 10.875 -8.046 1.00 0.00 O ATOM 228 OD2 ASP A 14 3.795 13.016 -7.692 1.00 0.00 O ATOM 0 H ASP A 14 1.482 10.694 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 14 1.116 11.682 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.166 12.485 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.697 10.818 -5.465 1.00 0.00 H new ATOM 233 N SER A 15 1.816 9.242 -7.571 1.00 0.00 N ATOM 234 CA SER A 15 1.691 7.823 -8.024 1.00 0.00 C ATOM 235 C SER A 15 3.064 7.143 -7.967 1.00 0.00 C ATOM 236 O SER A 15 3.145 5.957 -7.723 1.00 0.00 O ATOM 237 CB SER A 15 1.139 7.818 -9.464 1.00 0.00 C ATOM 238 OG SER A 15 -0.122 8.473 -9.366 1.00 0.00 O ATOM 0 H SER A 15 2.221 9.872 -8.264 1.00 0.00 H new ATOM 0 HA SER A 15 1.011 7.273 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.807 8.343 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.030 6.802 -9.844 1.00 0.00 H new ATOM 0 HG SER A 15 -0.540 8.512 -10.251 1.00 0.00 H new ATOM 244 N SER A 16 4.114 7.898 -8.191 1.00 0.00 N ATOM 245 CA SER A 16 5.494 7.314 -8.154 1.00 0.00 C ATOM 246 C SER A 16 5.771 6.709 -6.766 1.00 0.00 C ATOM 247 O SER A 16 6.062 5.535 -6.658 1.00 0.00 O ATOM 248 CB SER A 16 6.519 8.429 -8.476 1.00 0.00 C ATOM 249 OG SER A 16 6.345 9.421 -7.473 1.00 0.00 O ATOM 0 H SER A 16 4.075 8.896 -8.398 1.00 0.00 H new ATOM 0 HA SER A 16 5.581 6.520 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.537 8.038 -8.466 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.346 8.843 -9.469 1.00 0.00 H new ATOM 0 HG SER A 16 5.566 9.974 -7.692 1.00 0.00 H new ATOM 255 N ASN A 17 5.674 7.520 -5.737 1.00 0.00 N ATOM 256 CA ASN A 17 5.922 7.003 -4.359 1.00 0.00 C ATOM 257 C ASN A 17 4.949 5.847 -4.080 1.00 0.00 C ATOM 258 O ASN A 17 5.312 4.885 -3.439 1.00 0.00 O ATOM 259 CB ASN A 17 5.720 8.138 -3.305 1.00 0.00 C ATOM 260 CG ASN A 17 4.329 8.800 -3.320 1.00 0.00 C ATOM 261 OD1 ASN A 17 3.547 8.706 -4.358 1.00 0.00 O flip ATOM 262 ND2 ASN A 17 3.936 9.433 -2.360 1.00 0.00 N flip ATOM 0 H ASN A 17 5.435 8.510 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 17 6.950 6.648 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.899 7.727 -2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.474 8.907 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.526 9.524 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.016 9.873 -2.381 1.00 0.00 H new ATOM 269 N LEU A 18 3.736 5.957 -4.569 1.00 0.00 N ATOM 270 CA LEU A 18 2.731 4.873 -4.344 1.00 0.00 C ATOM 271 C LEU A 18 3.257 3.577 -5.002 1.00 0.00 C ATOM 272 O LEU A 18 3.108 2.496 -4.468 1.00 0.00 O ATOM 273 CB LEU A 18 1.384 5.336 -4.959 1.00 0.00 C ATOM 274 CG LEU A 18 0.240 4.316 -4.659 1.00 0.00 C ATOM 275 CD1 LEU A 18 0.038 4.128 -3.131 1.00 0.00 C ATOM 276 CD2 LEU A 18 -1.073 4.881 -5.246 1.00 0.00 C ATOM 0 H LEU A 18 3.400 6.751 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 18 2.574 4.671 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.116 6.314 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.496 5.453 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 18 0.505 3.355 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.765 3.412 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.960 3.755 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.223 5.084 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.889 4.185 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.295 5.842 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.962 5.015 -6.322 1.00 0.00 H new ATOM 288 N LYS A 19 3.859 3.710 -6.158 1.00 0.00 N ATOM 289 CA LYS A 19 4.415 2.519 -6.875 1.00 0.00 C ATOM 290 C LYS A 19 5.476 1.934 -5.932 1.00 0.00 C ATOM 291 O LYS A 19 5.435 0.764 -5.603 1.00 0.00 O ATOM 292 CB LYS A 19 5.029 3.004 -8.221 1.00 0.00 C ATOM 293 CG LYS A 19 5.303 1.837 -9.202 1.00 0.00 C ATOM 294 CD LYS A 19 6.542 0.990 -8.800 1.00 0.00 C ATOM 295 CE LYS A 19 6.673 -0.199 -9.772 1.00 0.00 C ATOM 296 NZ LYS A 19 6.855 0.282 -11.173 1.00 0.00 N ATOM 0 H LYS A 19 3.990 4.599 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 19 3.669 1.761 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.351 3.717 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.961 3.533 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.426 1.191 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.453 2.239 -10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.443 1.603 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.436 0.630 -7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.521 -0.820 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.783 -0.825 -9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.207 -0.497 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.944 0.616 -11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.541 1.064 -11.185 1.00 0.00 H new ATOM 310 N THR A 20 6.398 2.777 -5.532 1.00 0.00 N ATOM 311 CA THR A 20 7.495 2.350 -4.600 1.00 0.00 C ATOM 312 C THR A 20 6.867 1.534 -3.451 1.00 0.00 C ATOM 313 O THR A 20 7.294 0.433 -3.165 1.00 0.00 O ATOM 314 CB THR A 20 8.211 3.602 -4.043 1.00 0.00 C ATOM 315 OG1 THR A 20 8.647 4.334 -5.180 1.00 0.00 O ATOM 316 CG2 THR A 20 9.508 3.201 -3.321 1.00 0.00 C ATOM 0 H THR A 20 6.439 3.756 -5.815 1.00 0.00 H new ATOM 0 HA THR A 20 8.227 1.737 -5.125 1.00 0.00 H new ATOM 0 HB THR A 20 7.543 4.142 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.110 5.147 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.000 4.094 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.272 2.530 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.172 2.694 -4.021 1.00 0.00 H new ATOM 324 N HIS A 21 5.875 2.137 -2.830 1.00 0.00 N ATOM 325 CA HIS A 21 5.131 1.504 -1.698 1.00 0.00 C ATOM 326 C HIS A 21 4.771 0.058 -2.063 1.00 0.00 C ATOM 327 O HIS A 21 5.088 -0.832 -1.310 1.00 0.00 O ATOM 328 CB HIS A 21 3.853 2.351 -1.407 1.00 0.00 C ATOM 329 CG HIS A 21 2.801 1.507 -0.673 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.781 1.222 0.589 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.683 0.873 -1.185 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.750 0.479 0.851 1.00 0.00 C ATOM 333 NE2 HIS A 21 1.045 0.241 -0.225 1.00 0.00 N ATOM 0 H HIS A 21 5.544 3.071 -3.073 1.00 0.00 H new ATOM 0 HA HIS A 21 5.748 1.478 -0.800 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.116 3.220 -0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.438 2.726 -2.342 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.470 1.534 1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.379 0.894 -2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.505 0.104 1.834 1.00 0.00 H new ATOM 341 N ILE A 22 4.125 -0.154 -3.184 1.00 0.00 N ATOM 342 CA ILE A 22 3.760 -1.557 -3.578 1.00 0.00 C ATOM 343 C ILE A 22 4.999 -2.455 -3.676 1.00 0.00 C ATOM 344 O ILE A 22 5.006 -3.562 -3.171 1.00 0.00 O ATOM 345 CB ILE A 22 3.014 -1.511 -4.941 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.669 -0.755 -4.751 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.757 -2.957 -5.450 1.00 0.00 C ATOM 348 CD1 ILE A 22 1.008 -0.465 -6.112 1.00 0.00 C ATOM 0 H ILE A 22 3.836 0.573 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 22 3.114 -1.984 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 22 3.621 -0.989 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.996 -1.350 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.844 0.181 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.234 -2.919 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.709 -3.472 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.148 -3.495 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.068 0.065 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.674 0.150 -6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.813 -1.404 -6.629 1.00 0.00 H new ATOM 360 N LYS A 23 6.012 -1.956 -4.330 1.00 0.00 N ATOM 361 CA LYS A 23 7.267 -2.760 -4.478 1.00 0.00 C ATOM 362 C LYS A 23 8.007 -2.948 -3.127 1.00 0.00 C ATOM 363 O LYS A 23 9.017 -3.622 -3.065 1.00 0.00 O ATOM 364 CB LYS A 23 8.157 -2.036 -5.522 1.00 0.00 C ATOM 365 CG LYS A 23 9.368 -2.930 -5.893 1.00 0.00 C ATOM 366 CD LYS A 23 10.083 -2.375 -7.139 1.00 0.00 C ATOM 367 CE LYS A 23 11.253 -3.313 -7.502 1.00 0.00 C ATOM 368 NZ LYS A 23 11.907 -2.856 -8.762 1.00 0.00 N ATOM 0 H LYS A 23 6.030 -1.034 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 23 7.024 -3.767 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.574 -1.809 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.506 -1.085 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.065 -2.975 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.031 -3.949 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.385 -2.302 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.453 -1.368 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.981 -3.329 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.887 -4.333 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.693 -3.495 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.212 -2.863 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.272 -1.891 -8.633 1.00 0.00 H new ATOM 382 N THR A 24 7.476 -2.351 -2.086 1.00 0.00 N ATOM 383 CA THR A 24 8.084 -2.442 -0.714 1.00 0.00 C ATOM 384 C THR A 24 7.226 -3.197 0.332 1.00 0.00 C ATOM 385 O THR A 24 7.741 -4.044 1.037 1.00 0.00 O ATOM 386 CB THR A 24 8.349 -1.003 -0.231 1.00 0.00 C ATOM 387 OG1 THR A 24 9.248 -0.476 -1.196 1.00 0.00 O ATOM 388 CG2 THR A 24 9.152 -0.961 1.077 1.00 0.00 C ATOM 0 H THR A 24 6.625 -1.790 -2.129 1.00 0.00 H new ATOM 0 HA THR A 24 8.997 -3.031 -0.802 1.00 0.00 H new ATOM 0 HB THR A 24 7.399 -0.486 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.741 -0.117 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.311 0.076 1.373 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.600 -1.481 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.116 -1.448 0.928 1.00 0.00 H new ATOM 396 N LYS A 25 5.958 -2.874 0.402 1.00 0.00 N ATOM 397 CA LYS A 25 5.018 -3.516 1.379 1.00 0.00 C ATOM 398 C LYS A 25 4.031 -4.559 0.839 1.00 0.00 C ATOM 399 O LYS A 25 3.208 -5.028 1.603 1.00 0.00 O ATOM 400 CB LYS A 25 4.250 -2.368 2.086 1.00 0.00 C ATOM 401 CG LYS A 25 5.138 -1.840 3.239 1.00 0.00 C ATOM 402 CD LYS A 25 4.500 -0.597 3.897 1.00 0.00 C ATOM 403 CE LYS A 25 5.270 -0.243 5.191 1.00 0.00 C ATOM 404 NZ LYS A 25 6.715 -0.005 4.907 1.00 0.00 N ATOM 0 H LYS A 25 5.521 -2.171 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 25 5.642 -4.111 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.026 -1.568 1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.297 -2.728 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.276 -2.622 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.127 -1.587 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.523 0.245 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.452 -0.792 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.834 0.647 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.167 -1.053 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.170 0.409 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.176 -0.907 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.808 0.650 4.104 1.00 0.00 H new ATOM 418 N HIS A 26 4.104 -4.893 -0.427 1.00 0.00 N ATOM 419 CA HIS A 26 3.175 -5.923 -1.000 1.00 0.00 C ATOM 420 C HIS A 26 4.009 -7.042 -1.623 1.00 0.00 C ATOM 421 O HIS A 26 3.886 -8.198 -1.265 1.00 0.00 O ATOM 422 CB HIS A 26 2.268 -5.272 -2.061 1.00 0.00 C ATOM 423 CG HIS A 26 1.226 -4.427 -1.329 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.381 -4.887 -0.464 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.943 -3.080 -1.392 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.365 -3.926 -0.020 1.00 0.00 C ATOM 427 NE2 HIS A 26 -0.043 -2.784 -0.577 1.00 0.00 N ATOM 0 H HIS A 26 4.768 -4.496 -1.092 1.00 0.00 H new ATOM 0 HA HIS A 26 2.542 -6.337 -0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.856 -4.652 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.782 -6.035 -2.669 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.312 -5.863 -0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.458 -2.370 -2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.149 -4.049 0.713 1.00 0.00 H new ATOM 435 N SER A 27 4.835 -6.631 -2.542 1.00 0.00 N ATOM 436 CA SER A 27 5.758 -7.542 -3.294 1.00 0.00 C ATOM 437 C SER A 27 6.427 -8.647 -2.462 1.00 0.00 C ATOM 438 O SER A 27 6.424 -9.803 -2.837 1.00 0.00 O ATOM 439 CB SER A 27 6.820 -6.661 -3.956 1.00 0.00 C ATOM 440 OG SER A 27 6.039 -5.873 -4.843 1.00 0.00 O ATOM 0 H SER A 27 4.915 -5.653 -2.819 1.00 0.00 H new ATOM 0 HA SER A 27 5.151 -8.090 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.354 -6.049 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.568 -7.251 -4.486 1.00 0.00 H new ATOM 0 HG SER A 27 6.517 -5.764 -5.692 1.00 0.00 H new ATOM 446 N LYS A 28 6.976 -8.228 -1.356 1.00 0.00 N ATOM 447 CA LYS A 28 7.684 -9.156 -0.410 1.00 0.00 C ATOM 448 C LYS A 28 7.009 -9.248 0.964 1.00 0.00 C ATOM 449 O LYS A 28 6.892 -10.312 1.538 1.00 0.00 O ATOM 450 CB LYS A 28 9.137 -8.671 -0.214 1.00 0.00 C ATOM 451 CG LYS A 28 9.902 -8.706 -1.557 1.00 0.00 C ATOM 452 CD LYS A 28 11.366 -8.207 -1.382 1.00 0.00 C ATOM 453 CE LYS A 28 12.175 -9.105 -0.414 1.00 0.00 C ATOM 454 NZ LYS A 28 12.147 -10.529 -0.858 1.00 0.00 N ATOM 0 H LYS A 28 6.966 -7.254 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 28 7.650 -10.149 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.138 -7.657 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.643 -9.302 0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.906 -9.723 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.387 -8.083 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.860 -8.185 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.357 -7.184 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.206 -8.756 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.763 -9.026 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.840 -11.077 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.196 -10.922 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.386 -10.582 -1.869 1.00 0.00 H new ATOM 468 N GLU A 29 6.592 -8.102 1.426 1.00 0.00 N ATOM 469 CA GLU A 29 5.911 -7.963 2.756 1.00 0.00 C ATOM 470 C GLU A 29 4.422 -7.626 2.543 1.00 0.00 C ATOM 471 O GLU A 29 3.991 -7.474 1.419 1.00 0.00 O ATOM 472 CB GLU A 29 6.689 -6.847 3.498 1.00 0.00 C ATOM 473 CG GLU A 29 6.196 -6.596 4.936 1.00 0.00 C ATOM 474 CD GLU A 29 7.045 -5.472 5.561 1.00 0.00 C ATOM 475 OE1 GLU A 29 8.222 -5.724 5.771 1.00 0.00 O ATOM 476 OE2 GLU A 29 6.468 -4.421 5.792 1.00 0.00 O ATOM 0 H GLU A 29 6.697 -7.222 0.922 1.00 0.00 H new ATOM 0 HA GLU A 29 5.922 -8.879 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.746 -7.112 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.608 -5.921 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.143 -6.315 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.280 -7.507 5.529 1.00 0.00 H new ATOM 483 N LYS A 30 3.687 -7.533 3.625 1.00 0.00 N ATOM 484 CA LYS A 30 2.223 -7.202 3.582 1.00 0.00 C ATOM 485 C LYS A 30 1.941 -5.969 4.454 1.00 0.00 C ATOM 486 O LYS A 30 2.826 -5.248 4.875 1.00 0.00 O ATOM 487 CB LYS A 30 1.397 -8.409 4.100 1.00 0.00 C ATOM 488 CG LYS A 30 1.824 -8.832 5.528 1.00 0.00 C ATOM 489 CD LYS A 30 0.938 -10.021 5.977 1.00 0.00 C ATOM 490 CE LYS A 30 1.349 -10.489 7.383 1.00 0.00 C ATOM 491 NZ LYS A 30 2.761 -10.969 7.379 1.00 0.00 N ATOM 0 H LYS A 30 4.052 -7.677 4.567 1.00 0.00 H new ATOM 0 HA LYS A 30 1.936 -6.985 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.338 -8.151 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.520 -9.252 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.876 -9.119 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.714 -7.996 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.110 -9.723 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.035 -10.844 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.239 -9.669 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.687 -11.289 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.932 -11.552 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.932 -11.538 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.405 -10.153 7.386 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.582 -0.862 -0.571 1.00 0.00 ZN