USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 248 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 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 12 SER OG : rot -25:sc= -0.0236 USER MOD Set 2.1: A 6 GLN : amide:sc= -1.27! K(o=-1.3!,f=-2.1) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0.00755 USER MOD Set 3.1: A 1 LYS N :NH3+ -176:sc= -0.0156 (180deg=-0.0585) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc=-0.00776 USER MOD Single : A 1 LYS NZ :NH3+ -107:sc= -2.5! (180deg=-5.41!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -3.86 F(o=-8.9!,f=-3.9) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.927 F(o=-4!,f=-0.93) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 90:sc= 0.535 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00933 USER MOD Single : A 25 LYS NZ :NH3+ -105:sc= -2.33! (180deg=-5.33!) USER MOD Single : A 27 SER OG : rot -170:sc= -0.392 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0489) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.183 -4.343 13.069 1.00 0.00 N ATOM 2 CA LYS A 1 -7.424 -5.296 12.209 1.00 0.00 C ATOM 3 C LYS A 1 -7.310 -4.683 10.809 1.00 0.00 C ATOM 4 O LYS A 1 -7.796 -5.211 9.825 1.00 0.00 O ATOM 5 CB LYS A 1 -8.159 -6.653 12.101 1.00 0.00 C ATOM 6 CG LYS A 1 -8.303 -7.332 13.470 1.00 0.00 C ATOM 7 CD LYS A 1 -8.935 -8.749 13.300 1.00 0.00 C ATOM 8 CE LYS A 1 -10.324 -8.694 12.595 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.167 -8.461 11.126 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.216 -4.705 14.043 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.712 -3.416 13.060 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.152 -4.242 12.704 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.442 -5.471 12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.146 -6.498 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.612 -7.310 11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.327 -7.415 13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.927 -6.723 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.260 -9.379 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.045 -9.216 14.279 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.860 -9.628 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.927 -7.898 13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.451 -7.487 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.173 -8.604 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.768 -9.129 10.602 1.00 0.00 H new ATOM 25 N THR A 2 -6.660 -3.551 10.785 1.00 0.00 N ATOM 26 CA THR A 2 -6.454 -2.812 9.504 1.00 0.00 C ATOM 27 C THR A 2 -4.966 -2.436 9.413 1.00 0.00 C ATOM 28 O THR A 2 -4.301 -2.318 10.425 1.00 0.00 O ATOM 29 CB THR A 2 -7.351 -1.568 9.542 1.00 0.00 C ATOM 30 OG1 THR A 2 -8.623 -2.089 9.918 1.00 0.00 O ATOM 31 CG2 THR A 2 -7.604 -0.992 8.144 1.00 0.00 C ATOM 0 H THR A 2 -6.258 -3.101 11.607 1.00 0.00 H new ATOM 0 HA THR A 2 -6.714 -3.408 8.629 1.00 0.00 H new ATOM 0 HB THR A 2 -6.902 -0.808 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.273 -1.358 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.244 -0.113 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.654 -0.710 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.094 -1.743 7.524 1.00 0.00 H new ATOM 39 N TYR A 3 -4.490 -2.259 8.208 1.00 0.00 N ATOM 40 CA TYR A 3 -3.054 -1.890 7.991 1.00 0.00 C ATOM 41 C TYR A 3 -3.080 -0.579 7.208 1.00 0.00 C ATOM 42 O TYR A 3 -4.004 -0.366 6.448 1.00 0.00 O ATOM 43 CB TYR A 3 -2.386 -3.003 7.177 1.00 0.00 C ATOM 44 CG TYR A 3 -2.885 -4.363 7.667 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.526 -4.882 8.897 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.732 -5.081 6.852 1.00 0.00 C ATOM 47 CE1 TYR A 3 -3.017 -6.108 9.300 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.211 -6.294 7.255 1.00 0.00 C ATOM 49 CZ TYR A 3 -3.869 -6.817 8.477 1.00 0.00 C ATOM 50 OH TYR A 3 -4.384 -8.038 8.852 1.00 0.00 O ATOM 0 H TYR A 3 -5.039 -2.355 7.354 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.497 -1.772 8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.613 -2.880 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.302 -2.943 7.279 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.861 -4.328 9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.018 -4.683 5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.734 -6.513 10.260 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.868 -6.850 6.603 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.964 -8.381 8.140 1.00 0.00 H new ATOM 60 N GLN A 4 -2.085 0.248 7.398 1.00 0.00 N ATOM 61 CA GLN A 4 -2.035 1.551 6.671 1.00 0.00 C ATOM 62 C GLN A 4 -0.727 1.718 5.904 1.00 0.00 C ATOM 63 O GLN A 4 0.278 1.113 6.222 1.00 0.00 O ATOM 64 CB GLN A 4 -2.248 2.653 7.752 1.00 0.00 C ATOM 65 CG GLN A 4 -2.052 4.118 7.251 1.00 0.00 C ATOM 66 CD GLN A 4 -3.093 4.573 6.205 1.00 0.00 C ATOM 67 OE1 GLN A 4 -3.981 3.746 5.728 1.00 0.00 O flip ATOM 68 NE2 GLN A 4 -3.104 5.719 5.803 1.00 0.00 N flip ATOM 0 H GLN A 4 -1.302 0.076 8.028 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.810 1.614 5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.256 2.555 8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.557 2.471 8.575 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.095 4.792 8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.055 4.213 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.422 6.390 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.795 6.010 5.112 1.00 0.00 H new ATOM 77 N CYS A 5 -0.808 2.556 4.904 1.00 0.00 N ATOM 78 CA CYS A 5 0.368 2.850 4.038 1.00 0.00 C ATOM 79 C CYS A 5 1.107 4.068 4.603 1.00 0.00 C ATOM 80 O CYS A 5 0.465 5.018 5.011 1.00 0.00 O ATOM 81 CB CYS A 5 -0.182 3.103 2.622 1.00 0.00 C ATOM 82 SG CYS A 5 0.985 3.704 1.379 1.00 0.00 S ATOM 0 H CYS A 5 -1.658 3.058 4.648 1.00 0.00 H new ATOM 0 HA CYS A 5 1.084 2.029 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.616 2.172 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.995 3.825 2.699 1.00 0.00 H new ATOM 87 N GLN A 6 2.422 4.020 4.612 1.00 0.00 N ATOM 88 CA GLN A 6 3.203 5.180 5.154 1.00 0.00 C ATOM 89 C GLN A 6 3.951 5.979 4.074 1.00 0.00 C ATOM 90 O GLN A 6 5.105 6.343 4.198 1.00 0.00 O ATOM 91 CB GLN A 6 4.185 4.638 6.276 1.00 0.00 C ATOM 92 CG GLN A 6 4.956 3.328 5.973 1.00 0.00 C ATOM 93 CD GLN A 6 6.054 3.488 4.915 1.00 0.00 C ATOM 94 OE1 GLN A 6 6.877 4.382 4.953 1.00 0.00 O ATOM 95 NE2 GLN A 6 6.084 2.607 3.956 1.00 0.00 N ATOM 0 H GLN A 6 2.981 3.238 4.272 1.00 0.00 H new ATOM 0 HA GLN A 6 2.501 5.895 5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.916 5.418 6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.606 4.486 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.404 2.959 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.248 2.570 5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.391 1.859 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.800 2.665 3.232 1.00 0.00 H new ATOM 104 N TYR A 7 3.202 6.213 3.026 1.00 0.00 N ATOM 105 CA TYR A 7 3.662 6.982 1.826 1.00 0.00 C ATOM 106 C TYR A 7 2.552 8.002 1.557 1.00 0.00 C ATOM 107 O TYR A 7 2.772 9.197 1.484 1.00 0.00 O ATOM 108 CB TYR A 7 3.802 6.066 0.610 1.00 0.00 C ATOM 109 CG TYR A 7 4.947 5.087 0.817 1.00 0.00 C ATOM 110 CD1 TYR A 7 6.265 5.517 0.809 1.00 0.00 C ATOM 111 CD2 TYR A 7 4.679 3.749 1.013 1.00 0.00 C ATOM 112 CE1 TYR A 7 7.293 4.616 0.993 1.00 0.00 C ATOM 113 CE2 TYR A 7 5.705 2.848 1.200 1.00 0.00 C ATOM 114 CZ TYR A 7 7.016 3.280 1.190 1.00 0.00 C ATOM 115 OH TYR A 7 8.043 2.381 1.391 1.00 0.00 O ATOM 0 H TYR A 7 2.239 5.884 2.951 1.00 0.00 H new ATOM 0 HA TYR A 7 4.634 7.443 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.872 5.520 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.981 6.662 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.488 6.563 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.656 3.404 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.317 4.958 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.483 1.802 1.355 1.00 0.00 H new ATOM 0 HH TYR A 7 7.672 1.482 1.514 1.00 0.00 H new ATOM 125 N CYS A 8 1.375 7.446 1.419 1.00 0.00 N ATOM 126 CA CYS A 8 0.133 8.234 1.152 1.00 0.00 C ATOM 127 C CYS A 8 -0.859 7.890 2.272 1.00 0.00 C ATOM 128 O CYS A 8 -0.434 7.623 3.380 1.00 0.00 O ATOM 129 CB CYS A 8 -0.436 7.830 -0.198 1.00 0.00 C ATOM 130 SG CYS A 8 -1.318 6.256 -0.269 1.00 0.00 S ATOM 0 H CYS A 8 1.219 6.440 1.483 1.00 0.00 H new ATOM 0 HA CYS A 8 0.333 9.305 1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.115 8.616 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.384 7.793 -0.915 1.00 0.00 H new ATOM 135 N GLU A 9 -2.135 7.896 1.972 1.00 0.00 N ATOM 136 CA GLU A 9 -3.129 7.572 3.040 1.00 0.00 C ATOM 137 C GLU A 9 -4.139 6.467 2.663 1.00 0.00 C ATOM 138 O GLU A 9 -5.319 6.616 2.917 1.00 0.00 O ATOM 139 CB GLU A 9 -3.865 8.886 3.393 1.00 0.00 C ATOM 140 CG GLU A 9 -4.308 8.851 4.881 1.00 0.00 C ATOM 141 CD GLU A 9 -5.744 9.387 5.022 1.00 0.00 C ATOM 142 OE1 GLU A 9 -5.929 10.560 4.734 1.00 0.00 O ATOM 143 OE2 GLU A 9 -6.575 8.580 5.411 1.00 0.00 O ATOM 0 H GLU A 9 -2.525 8.107 1.053 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.587 7.163 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.210 9.740 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.734 9.013 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.254 7.830 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.627 9.451 5.485 1.00 0.00 H new ATOM 150 N TYR A 10 -3.681 5.385 2.074 1.00 0.00 N ATOM 151 CA TYR A 10 -4.621 4.272 1.703 1.00 0.00 C ATOM 152 C TYR A 10 -4.502 3.178 2.791 1.00 0.00 C ATOM 153 O TYR A 10 -3.417 2.950 3.291 1.00 0.00 O ATOM 154 CB TYR A 10 -4.204 3.720 0.321 1.00 0.00 C ATOM 155 CG TYR A 10 -4.829 2.325 0.084 1.00 0.00 C ATOM 156 CD1 TYR A 10 -6.132 2.152 -0.359 1.00 0.00 C ATOM 157 CD2 TYR A 10 -4.062 1.209 0.352 1.00 0.00 C ATOM 158 CE1 TYR A 10 -6.645 0.878 -0.530 1.00 0.00 C ATOM 159 CE2 TYR A 10 -4.570 -0.050 0.182 1.00 0.00 C ATOM 160 CZ TYR A 10 -5.866 -0.230 -0.254 1.00 0.00 C ATOM 161 OH TYR A 10 -6.349 -1.513 -0.396 1.00 0.00 O ATOM 0 H TYR A 10 -2.703 5.224 1.835 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.654 4.616 1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.524 4.406 -0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.118 3.653 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.748 3.014 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.047 1.331 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.658 0.749 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.951 -0.910 0.391 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.649 -2.155 -0.154 1.00 0.00 H new ATOM 171 N ARG A 11 -5.608 2.545 3.117 1.00 0.00 N ATOM 172 CA ARG A 11 -5.617 1.459 4.160 1.00 0.00 C ATOM 173 C ARG A 11 -6.146 0.139 3.560 1.00 0.00 C ATOM 174 O ARG A 11 -6.790 0.152 2.529 1.00 0.00 O ATOM 175 CB ARG A 11 -6.526 1.856 5.385 1.00 0.00 C ATOM 176 CG ARG A 11 -8.049 2.011 5.079 1.00 0.00 C ATOM 177 CD ARG A 11 -8.404 3.343 4.415 1.00 0.00 C ATOM 178 NE ARG A 11 -8.074 4.452 5.364 1.00 0.00 N ATOM 179 CZ ARG A 11 -7.281 5.420 4.987 1.00 0.00 C ATOM 180 NH1 ARG A 11 -7.730 6.268 4.106 1.00 0.00 N ATOM 181 NH2 ARG A 11 -6.081 5.516 5.495 1.00 0.00 N ATOM 0 H ARG A 11 -6.519 2.737 2.699 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.591 1.327 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.406 1.101 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.160 2.797 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.366 1.194 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.610 1.916 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.848 3.462 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.463 3.367 4.158 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.468 4.452 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.674 6.164 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.138 7.036 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.764 4.836 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.462 6.271 5.201 1.00 0.00 H new ATOM 195 N SER A 12 -5.853 -0.955 4.227 1.00 0.00 N ATOM 196 CA SER A 12 -6.306 -2.313 3.760 1.00 0.00 C ATOM 197 C SER A 12 -6.916 -3.169 4.876 1.00 0.00 C ATOM 198 O SER A 12 -6.812 -2.854 6.043 1.00 0.00 O ATOM 199 CB SER A 12 -5.123 -3.069 3.205 1.00 0.00 C ATOM 200 OG SER A 12 -4.632 -2.261 2.154 1.00 0.00 O ATOM 0 H SER A 12 -5.310 -0.967 5.090 1.00 0.00 H new ATOM 0 HA SER A 12 -7.076 -2.137 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.362 -3.227 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.419 -4.053 2.841 1.00 0.00 H new ATOM 0 HG SER A 12 -5.355 -1.696 1.810 1.00 0.00 H new ATOM 206 N ALA A 13 -7.515 -4.247 4.438 1.00 0.00 N ATOM 207 CA ALA A 13 -8.179 -5.231 5.348 1.00 0.00 C ATOM 208 C ALA A 13 -7.265 -6.459 5.430 1.00 0.00 C ATOM 209 O ALA A 13 -7.153 -7.099 6.460 1.00 0.00 O ATOM 210 CB ALA A 13 -9.526 -5.638 4.762 1.00 0.00 C ATOM 0 H ALA A 13 -7.573 -4.494 3.450 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.343 -4.800 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.010 -6.355 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.159 -4.757 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.374 -6.094 3.784 1.00 0.00 H new ATOM 216 N ASP A 14 -6.647 -6.738 4.311 1.00 0.00 N ATOM 217 CA ASP A 14 -5.713 -7.890 4.188 1.00 0.00 C ATOM 218 C ASP A 14 -4.346 -7.321 3.750 1.00 0.00 C ATOM 219 O ASP A 14 -4.219 -6.807 2.656 1.00 0.00 O ATOM 220 CB ASP A 14 -6.302 -8.861 3.136 1.00 0.00 C ATOM 221 CG ASP A 14 -5.509 -10.182 3.125 1.00 0.00 C ATOM 222 OD1 ASP A 14 -4.314 -10.120 2.875 1.00 0.00 O ATOM 223 OD2 ASP A 14 -6.158 -11.187 3.374 1.00 0.00 O ATOM 0 H ASP A 14 -6.757 -6.196 3.454 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.583 -8.437 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.350 -9.060 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.270 -8.401 2.148 1.00 0.00 H new ATOM 228 N SER A 15 -3.374 -7.407 4.628 1.00 0.00 N ATOM 229 CA SER A 15 -1.979 -6.906 4.367 1.00 0.00 C ATOM 230 C SER A 15 -1.495 -7.062 2.912 1.00 0.00 C ATOM 231 O SER A 15 -0.821 -6.188 2.406 1.00 0.00 O ATOM 232 CB SER A 15 -1.035 -7.648 5.343 1.00 0.00 C ATOM 233 OG SER A 15 0.291 -7.294 4.970 1.00 0.00 O ATOM 0 H SER A 15 -3.494 -7.820 5.553 1.00 0.00 H new ATOM 0 HA SER A 15 -1.976 -5.829 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.238 -7.359 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.181 -8.726 5.280 1.00 0.00 H new ATOM 0 HG SER A 15 0.929 -7.741 5.565 1.00 0.00 H new ATOM 239 N SER A 16 -1.832 -8.154 2.265 1.00 0.00 N ATOM 240 CA SER A 16 -1.378 -8.331 0.851 1.00 0.00 C ATOM 241 C SER A 16 -1.896 -7.177 -0.008 1.00 0.00 C ATOM 242 O SER A 16 -1.172 -6.644 -0.819 1.00 0.00 O ATOM 243 CB SER A 16 -1.907 -9.650 0.305 1.00 0.00 C ATOM 244 OG SER A 16 -1.362 -9.728 -1.006 1.00 0.00 O ATOM 0 H SER A 16 -2.391 -8.916 2.648 1.00 0.00 H new ATOM 0 HA SER A 16 -0.288 -8.338 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.588 -10.492 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.997 -9.664 0.285 1.00 0.00 H new ATOM 0 HG SER A 16 -1.656 -10.559 -1.434 1.00 0.00 H new ATOM 250 N ASN A 17 -3.146 -6.841 0.191 1.00 0.00 N ATOM 251 CA ASN A 17 -3.801 -5.727 -0.564 1.00 0.00 C ATOM 252 C ASN A 17 -2.879 -4.513 -0.431 1.00 0.00 C ATOM 253 O ASN A 17 -2.467 -3.922 -1.404 1.00 0.00 O ATOM 254 CB ASN A 17 -5.167 -5.354 0.047 1.00 0.00 C ATOM 255 CG ASN A 17 -6.115 -6.556 0.238 1.00 0.00 C ATOM 256 OD1 ASN A 17 -5.737 -7.767 -0.077 1.00 0.00 O flip ATOM 257 ND2 ASN A 17 -7.232 -6.398 0.690 1.00 0.00 N flip ATOM 0 H ASN A 17 -3.756 -7.305 0.864 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.963 -6.032 -1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.004 -4.875 1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.653 -4.619 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.552 -5.463 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.850 -7.200 0.815 1.00 0.00 H new ATOM 264 N LEU A 18 -2.584 -4.186 0.803 1.00 0.00 N ATOM 265 CA LEU A 18 -1.690 -3.026 1.114 1.00 0.00 C ATOM 266 C LEU A 18 -0.360 -3.163 0.342 1.00 0.00 C ATOM 267 O LEU A 18 0.002 -2.275 -0.400 1.00 0.00 O ATOM 268 CB LEU A 18 -1.477 -3.017 2.653 1.00 0.00 C ATOM 269 CG LEU A 18 -0.492 -1.921 3.141 1.00 0.00 C ATOM 270 CD1 LEU A 18 -1.137 -0.523 3.027 1.00 0.00 C ATOM 271 CD2 LEU A 18 -0.146 -2.191 4.622 1.00 0.00 C ATOM 0 H LEU A 18 -2.931 -4.683 1.623 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.133 -2.080 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.440 -2.872 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.104 -3.993 2.965 1.00 0.00 H new ATOM 0 HG LEU A 18 0.405 -1.948 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.432 0.232 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.398 -0.326 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.038 -0.487 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.546 -1.428 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.057 -2.163 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.318 -3.173 4.714 1.00 0.00 H new ATOM 283 N LYS A 19 0.332 -4.259 0.542 1.00 0.00 N ATOM 284 CA LYS A 19 1.635 -4.506 -0.158 1.00 0.00 C ATOM 285 C LYS A 19 1.482 -4.166 -1.655 1.00 0.00 C ATOM 286 O LYS A 19 2.222 -3.364 -2.186 1.00 0.00 O ATOM 287 CB LYS A 19 2.008 -5.988 0.058 1.00 0.00 C ATOM 288 CG LYS A 19 3.362 -6.373 -0.611 1.00 0.00 C ATOM 289 CD LYS A 19 3.562 -7.896 -0.460 1.00 0.00 C ATOM 290 CE LYS A 19 4.910 -8.350 -1.056 1.00 0.00 C ATOM 291 NZ LYS A 19 4.974 -9.837 -1.050 1.00 0.00 N ATOM 0 H LYS A 19 0.044 -5.007 1.173 1.00 0.00 H new ATOM 0 HA LYS A 19 2.431 -3.876 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.065 -6.191 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.216 -6.620 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.358 -6.093 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.184 -5.834 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.520 -8.167 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.747 -8.422 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.016 -7.974 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.735 -7.937 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.882 -10.147 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.891 -10.184 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.194 -10.220 -1.621 1.00 0.00 H new ATOM 305 N THR A 20 0.513 -4.788 -2.280 1.00 0.00 N ATOM 306 CA THR A 20 0.234 -4.560 -3.730 1.00 0.00 C ATOM 307 C THR A 20 0.050 -3.054 -3.965 1.00 0.00 C ATOM 308 O THR A 20 0.707 -2.506 -4.825 1.00 0.00 O ATOM 309 CB THR A 20 -1.033 -5.347 -4.098 1.00 0.00 C ATOM 310 OG1 THR A 20 -0.725 -6.671 -3.691 1.00 0.00 O ATOM 311 CG2 THR A 20 -1.203 -5.453 -5.630 1.00 0.00 C ATOM 0 H THR A 20 -0.111 -5.460 -1.834 1.00 0.00 H new ATOM 0 HA THR A 20 1.057 -4.903 -4.357 1.00 0.00 H new ATOM 0 HB THR A 20 -1.916 -4.883 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.999 -6.799 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.109 -6.015 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.280 -4.453 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.341 -5.965 -6.057 1.00 0.00 H new ATOM 319 N HIS A 21 -0.829 -2.426 -3.212 1.00 0.00 N ATOM 320 CA HIS A 21 -1.072 -0.955 -3.364 1.00 0.00 C ATOM 321 C HIS A 21 0.288 -0.219 -3.446 1.00 0.00 C ATOM 322 O HIS A 21 0.541 0.446 -4.427 1.00 0.00 O ATOM 323 CB HIS A 21 -1.932 -0.486 -2.145 1.00 0.00 C ATOM 324 CG HIS A 21 -1.827 1.036 -1.973 1.00 0.00 C ATOM 325 ND1 HIS A 21 -2.599 1.952 -2.472 1.00 0.00 N ATOM 326 CD2 HIS A 21 -0.875 1.727 -1.255 1.00 0.00 C ATOM 327 CE1 HIS A 21 -2.171 3.124 -2.103 1.00 0.00 C ATOM 328 NE2 HIS A 21 -1.110 3.008 -1.355 1.00 0.00 N ATOM 0 H HIS A 21 -1.393 -2.878 -2.492 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.615 -0.726 -4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.973 -0.771 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.592 -0.986 -1.238 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -3.414 1.780 -3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.064 1.281 -0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.631 4.062 -2.378 1.00 0.00 H new ATOM 336 N ILE A 22 1.123 -0.340 -2.437 1.00 0.00 N ATOM 337 CA ILE A 22 2.453 0.353 -2.477 1.00 0.00 C ATOM 338 C ILE A 22 3.250 -0.089 -3.727 1.00 0.00 C ATOM 339 O ILE A 22 3.890 0.726 -4.359 1.00 0.00 O ATOM 340 CB ILE A 22 3.267 0.031 -1.157 1.00 0.00 C ATOM 341 CG1 ILE A 22 2.723 0.815 0.081 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.764 0.359 -1.322 1.00 0.00 C ATOM 343 CD1 ILE A 22 1.707 -0.023 0.845 1.00 0.00 C ATOM 0 H ILE A 22 0.942 -0.885 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 22 2.292 1.429 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 22 3.140 -1.038 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.549 1.083 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.261 1.746 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.292 0.126 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.179 -0.235 -2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.881 1.419 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.341 0.541 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.872 -0.269 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.180 -0.942 1.191 1.00 0.00 H new ATOM 355 N LYS A 23 3.198 -1.357 -4.048 1.00 0.00 N ATOM 356 CA LYS A 23 3.929 -1.888 -5.239 1.00 0.00 C ATOM 357 C LYS A 23 3.470 -1.265 -6.575 1.00 0.00 C ATOM 358 O LYS A 23 4.255 -1.097 -7.489 1.00 0.00 O ATOM 359 CB LYS A 23 3.737 -3.436 -5.258 1.00 0.00 C ATOM 360 CG LYS A 23 5.087 -4.176 -5.402 1.00 0.00 C ATOM 361 CD LYS A 23 5.787 -3.812 -6.728 1.00 0.00 C ATOM 362 CE LYS A 23 7.174 -4.477 -6.750 1.00 0.00 C ATOM 363 NZ LYS A 23 7.954 -4.050 -7.947 1.00 0.00 N ATOM 0 H LYS A 23 2.671 -2.058 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 23 4.981 -1.618 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.244 -3.753 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.081 -3.712 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.735 -3.921 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.921 -5.252 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.191 -4.151 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.885 -2.730 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.720 -4.216 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.061 -5.561 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.885 -4.513 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.441 -4.321 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.080 -3.018 -7.929 1.00 0.00 H new ATOM 377 N THR A 24 2.209 -0.938 -6.641 1.00 0.00 N ATOM 378 CA THR A 24 1.593 -0.325 -7.865 1.00 0.00 C ATOM 379 C THR A 24 1.404 1.202 -7.780 1.00 0.00 C ATOM 380 O THR A 24 1.134 1.830 -8.788 1.00 0.00 O ATOM 381 CB THR A 24 0.230 -0.999 -8.087 1.00 0.00 C ATOM 382 OG1 THR A 24 -0.481 -0.752 -6.881 1.00 0.00 O ATOM 383 CG2 THR A 24 0.338 -2.536 -8.141 1.00 0.00 C ATOM 0 H THR A 24 1.553 -1.073 -5.872 1.00 0.00 H new ATOM 0 HA THR A 24 2.279 -0.490 -8.696 1.00 0.00 H new ATOM 0 HB THR A 24 -0.211 -0.628 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.374 -1.152 -6.940 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.651 -2.965 -8.299 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.995 -2.826 -8.961 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.747 -2.905 -7.201 1.00 0.00 H new ATOM 391 N LYS A 25 1.556 1.745 -6.600 1.00 0.00 N ATOM 392 CA LYS A 25 1.400 3.217 -6.363 1.00 0.00 C ATOM 393 C LYS A 25 2.677 3.953 -6.009 1.00 0.00 C ATOM 394 O LYS A 25 2.843 5.073 -6.451 1.00 0.00 O ATOM 395 CB LYS A 25 0.396 3.467 -5.220 1.00 0.00 C ATOM 396 CG LYS A 25 -1.041 3.148 -5.709 1.00 0.00 C ATOM 397 CD LYS A 25 -1.582 4.175 -6.750 1.00 0.00 C ATOM 398 CE LYS A 25 -1.742 5.585 -6.144 1.00 0.00 C ATOM 399 NZ LYS A 25 -0.419 6.249 -5.979 1.00 0.00 N ATOM 0 H LYS A 25 1.790 1.213 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 25 1.054 3.608 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.645 2.844 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.457 4.504 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.054 2.152 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.712 3.124 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.902 4.221 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.545 3.833 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.379 6.191 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.241 5.515 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.150 6.243 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.298 5.737 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.479 7.231 -6.315 1.00 0.00 H new ATOM 413 N HIS A 26 3.535 3.338 -5.240 1.00 0.00 N ATOM 414 CA HIS A 26 4.799 4.021 -4.856 1.00 0.00 C ATOM 415 C HIS A 26 5.969 3.206 -5.428 1.00 0.00 C ATOM 416 O HIS A 26 6.395 3.513 -6.522 1.00 0.00 O ATOM 417 CB HIS A 26 4.815 4.106 -3.307 1.00 0.00 C ATOM 418 CG HIS A 26 3.477 4.686 -2.807 1.00 0.00 C ATOM 419 ND1 HIS A 26 2.963 5.849 -3.070 1.00 0.00 N ATOM 420 CD2 HIS A 26 2.556 4.081 -1.983 1.00 0.00 C ATOM 421 CE1 HIS A 26 1.817 5.978 -2.459 1.00 0.00 C ATOM 422 NE2 HIS A 26 1.550 4.889 -1.783 1.00 0.00 N ATOM 0 H HIS A 26 3.415 2.398 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 26 4.883 5.032 -5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.976 3.116 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.642 4.734 -2.976 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.392 6.557 -3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.651 3.089 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.184 6.852 -2.504 1.00 0.00 H new ATOM 430 N SER A 27 6.427 2.222 -4.683 1.00 0.00 N ATOM 431 CA SER A 27 7.564 1.302 -5.059 1.00 0.00 C ATOM 432 C SER A 27 7.934 1.216 -6.552 1.00 0.00 C ATOM 433 O SER A 27 7.665 0.233 -7.213 1.00 0.00 O ATOM 434 CB SER A 27 7.210 -0.092 -4.525 1.00 0.00 C ATOM 435 OG SER A 27 7.319 -0.018 -3.109 1.00 0.00 O ATOM 0 H SER A 27 6.031 2.005 -3.768 1.00 0.00 H new ATOM 0 HA SER A 27 8.460 1.730 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.201 -0.377 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.886 -0.846 -4.928 1.00 0.00 H new ATOM 0 HG SER A 27 7.257 -0.919 -2.729 1.00 0.00 H new ATOM 441 N LYS A 28 8.552 2.276 -7.002 1.00 0.00 N ATOM 442 CA LYS A 28 9.021 2.456 -8.416 1.00 0.00 C ATOM 443 C LYS A 28 8.368 1.580 -9.516 1.00 0.00 C ATOM 444 O LYS A 28 8.710 0.428 -9.698 1.00 0.00 O ATOM 445 CB LYS A 28 10.563 2.231 -8.441 1.00 0.00 C ATOM 446 CG LYS A 28 11.322 3.205 -7.476 1.00 0.00 C ATOM 447 CD LYS A 28 11.017 4.702 -7.770 1.00 0.00 C ATOM 448 CE LYS A 28 11.811 5.604 -6.783 1.00 0.00 C ATOM 449 NZ LYS A 28 11.572 7.051 -7.067 1.00 0.00 N ATOM 0 H LYS A 28 8.765 3.077 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 28 8.709 3.467 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.782 1.201 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.932 2.370 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.046 2.978 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.395 3.033 -7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.290 4.943 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.948 4.891 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.514 5.377 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.876 5.386 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.113 7.631 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.878 7.270 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.558 7.261 -6.968 1.00 0.00 H new ATOM 463 N GLU A 29 7.431 2.171 -10.219 1.00 0.00 N ATOM 464 CA GLU A 29 6.715 1.450 -11.326 1.00 0.00 C ATOM 465 C GLU A 29 7.373 1.936 -12.629 1.00 0.00 C ATOM 466 O GLU A 29 7.570 1.160 -13.544 1.00 0.00 O ATOM 467 CB GLU A 29 5.211 1.818 -11.412 1.00 0.00 C ATOM 468 CG GLU A 29 4.330 1.232 -10.276 1.00 0.00 C ATOM 469 CD GLU A 29 4.590 1.926 -8.923 1.00 0.00 C ATOM 470 OE1 GLU A 29 5.496 1.485 -8.242 1.00 0.00 O ATOM 471 OE2 GLU A 29 3.866 2.868 -8.643 1.00 0.00 O ATOM 0 H GLU A 29 7.127 3.134 -10.073 1.00 0.00 H new ATOM 0 HA GLU A 29 6.783 0.376 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.116 2.904 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.821 1.472 -12.370 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.278 1.339 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.527 0.164 -10.179 1.00 0.00 H new ATOM 478 N LYS A 30 7.678 3.214 -12.626 1.00 0.00 N ATOM 479 CA LYS A 30 8.327 3.943 -13.768 1.00 0.00 C ATOM 480 C LYS A 30 8.427 3.186 -15.108 1.00 0.00 C ATOM 481 O LYS A 30 7.456 2.963 -15.805 1.00 0.00 O ATOM 482 CB LYS A 30 9.750 4.380 -13.271 1.00 0.00 C ATOM 483 CG LYS A 30 10.621 3.184 -12.752 1.00 0.00 C ATOM 484 CD LYS A 30 10.992 2.148 -13.853 1.00 0.00 C ATOM 485 CE LYS A 30 11.848 2.784 -14.974 1.00 0.00 C ATOM 486 NZ LYS A 30 13.202 3.132 -14.456 1.00 0.00 N ATOM 0 H LYS A 30 7.490 3.817 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 30 7.678 4.782 -14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.276 4.876 -14.087 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.639 5.113 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.538 3.579 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.081 2.674 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.539 1.320 -13.403 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.081 1.732 -14.283 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.938 2.090 -15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.355 3.679 -15.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.809 3.431 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.122 3.908 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.621 2.300 -13.993 1.00 0.00 H new TER 500 LYS A 30 HETATM 501 ZN ZN A 31 0.029 4.442 -0.578 1.00 0.00 ZN