USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=14 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 Single : A 1 LYS N :NH3+ 129:sc= 0.0638 (180deg=-0.033) 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 : amide:sc= -1.24 K(o=-1.2,f=-2.8!) USER MOD Single : A 6 GLN : amide:sc= 0.613 K(o=0.61,f=-4.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 124:sc= 1.7 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= -1.38 (180deg=-3.99!) USER MOD Single : A 20 THR OG1 : rot 94:sc= 0.389 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.127 (180deg=-0.795) USER MOD Single : A 24 THR OG1 : rot 97:sc= 0.539 USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= -1.02 (180deg=-2.46!) USER MOD Single : A 27 SER OG : rot -20:sc= 0.815 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= -0.0141 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.115 10.395 -2.618 1.00 0.00 N ATOM 2 CA LYS A 1 -11.909 8.973 -2.218 1.00 0.00 C ATOM 3 C LYS A 1 -10.667 8.822 -1.327 1.00 0.00 C ATOM 4 O LYS A 1 -10.067 9.797 -0.917 1.00 0.00 O ATOM 5 CB LYS A 1 -11.738 8.086 -3.478 1.00 0.00 C ATOM 6 CG LYS A 1 -10.476 8.490 -4.291 1.00 0.00 C ATOM 7 CD LYS A 1 -10.213 7.451 -5.405 1.00 0.00 C ATOM 8 CE LYS A 1 -11.423 7.352 -6.357 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.156 6.333 -7.410 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.235 10.452 -3.650 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.966 10.768 -2.150 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.289 10.959 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.787 8.655 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.661 7.040 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.622 8.174 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.616 9.478 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.612 8.554 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.323 7.732 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.014 6.476 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.318 7.082 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.616 8.321 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.975 6.271 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.313 6.608 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.993 5.408 -6.964 1.00 0.00 H new ATOM 25 N THR A 2 -10.332 7.585 -1.059 1.00 0.00 N ATOM 26 CA THR A 2 -9.151 7.241 -0.205 1.00 0.00 C ATOM 27 C THR A 2 -8.157 6.408 -1.035 1.00 0.00 C ATOM 28 O THR A 2 -8.367 6.184 -2.212 1.00 0.00 O ATOM 29 CB THR A 2 -9.651 6.441 1.025 1.00 0.00 C ATOM 30 OG1 THR A 2 -10.229 5.258 0.490 1.00 0.00 O ATOM 31 CG2 THR A 2 -10.837 7.150 1.714 1.00 0.00 C ATOM 0 H THR A 2 -10.844 6.774 -1.407 1.00 0.00 H new ATOM 0 HA THR A 2 -8.644 8.142 0.139 1.00 0.00 H new ATOM 0 HB THR A 2 -8.827 6.303 1.725 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.567 4.700 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.163 6.563 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.525 8.139 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.661 7.249 1.008 1.00 0.00 H new ATOM 39 N TYR A 3 -7.107 5.975 -0.384 1.00 0.00 N ATOM 40 CA TYR A 3 -6.045 5.153 -1.018 1.00 0.00 C ATOM 41 C TYR A 3 -6.171 3.810 -0.287 1.00 0.00 C ATOM 42 O TYR A 3 -6.053 3.747 0.923 1.00 0.00 O ATOM 43 CB TYR A 3 -4.675 5.805 -0.753 1.00 0.00 C ATOM 44 CG TYR A 3 -4.665 7.285 -1.177 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.142 7.689 -2.410 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.157 8.238 -0.314 1.00 0.00 C ATOM 47 CE1 TYR A 3 -5.115 9.020 -2.771 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.130 9.567 -0.673 1.00 0.00 C ATOM 49 CZ TYR A 3 -4.608 9.968 -1.905 1.00 0.00 C ATOM 50 OH TYR A 3 -4.585 11.299 -2.270 1.00 0.00 O ATOM 0 H TYR A 3 -6.942 6.170 0.603 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.138 5.051 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.432 5.727 0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.901 5.264 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.539 6.956 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.778 7.937 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.493 9.322 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.733 10.300 0.013 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.197 11.831 -1.544 1.00 0.00 H new ATOM 60 N GLN A 4 -6.404 2.783 -1.059 1.00 0.00 N ATOM 61 CA GLN A 4 -6.569 1.404 -0.505 1.00 0.00 C ATOM 62 C GLN A 4 -5.345 0.520 -0.772 1.00 0.00 C ATOM 63 O GLN A 4 -4.599 0.735 -1.709 1.00 0.00 O ATOM 64 CB GLN A 4 -7.847 0.827 -1.171 1.00 0.00 C ATOM 65 CG GLN A 4 -8.150 -0.653 -0.809 1.00 0.00 C ATOM 66 CD GLN A 4 -8.562 -0.792 0.658 1.00 0.00 C ATOM 67 OE1 GLN A 4 -9.533 -0.206 1.093 1.00 0.00 O ATOM 68 NE2 GLN A 4 -7.860 -1.558 1.449 1.00 0.00 N ATOM 0 H GLN A 4 -6.489 2.842 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.664 1.433 0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.700 1.440 -0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.746 0.910 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.946 -1.031 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.269 -1.265 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.044 -2.052 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.128 -1.662 2.428 1.00 0.00 H new ATOM 77 N CYS A 5 -5.208 -0.455 0.087 1.00 0.00 N ATOM 78 CA CYS A 5 -4.087 -1.437 0.002 1.00 0.00 C ATOM 79 C CYS A 5 -4.735 -2.686 -0.599 1.00 0.00 C ATOM 80 O CYS A 5 -5.813 -3.062 -0.184 1.00 0.00 O ATOM 81 CB CYS A 5 -3.558 -1.733 1.408 1.00 0.00 C ATOM 82 SG CYS A 5 -2.250 -2.975 1.508 1.00 0.00 S ATOM 0 H CYS A 5 -5.846 -0.616 0.867 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.244 -1.079 -0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.185 -0.804 1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.392 -2.060 2.029 1.00 0.00 H new ATOM 87 N GLN A 6 -4.055 -3.285 -1.543 1.00 0.00 N ATOM 88 CA GLN A 6 -4.585 -4.510 -2.217 1.00 0.00 C ATOM 89 C GLN A 6 -3.770 -5.749 -1.832 1.00 0.00 C ATOM 90 O GLN A 6 -3.469 -6.604 -2.644 1.00 0.00 O ATOM 91 CB GLN A 6 -4.552 -4.274 -3.762 1.00 0.00 C ATOM 92 CG GLN A 6 -3.120 -4.018 -4.343 1.00 0.00 C ATOM 93 CD GLN A 6 -2.691 -2.542 -4.237 1.00 0.00 C ATOM 94 OE1 GLN A 6 -2.255 -2.059 -3.210 1.00 0.00 O ATOM 95 NE2 GLN A 6 -2.804 -1.785 -5.293 1.00 0.00 N ATOM 0 H GLN A 6 -3.144 -2.974 -1.880 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.610 -4.692 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.984 -5.142 -4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.187 -3.421 -4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.400 -4.640 -3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.096 -4.325 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.168 -2.174 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.528 -0.804 -5.249 1.00 0.00 H new ATOM 104 N TYR A 7 -3.447 -5.782 -0.569 1.00 0.00 N ATOM 105 CA TYR A 7 -2.658 -6.903 0.018 1.00 0.00 C ATOM 106 C TYR A 7 -3.406 -7.325 1.293 1.00 0.00 C ATOM 107 O TYR A 7 -3.721 -8.484 1.473 1.00 0.00 O ATOM 108 CB TYR A 7 -1.257 -6.375 0.322 1.00 0.00 C ATOM 109 CG TYR A 7 -0.669 -5.703 -0.933 1.00 0.00 C ATOM 110 CD1 TYR A 7 -0.422 -6.419 -2.090 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.387 -4.354 -0.918 1.00 0.00 C ATOM 112 CE1 TYR A 7 0.096 -5.791 -3.205 1.00 0.00 C ATOM 113 CE2 TYR A 7 0.127 -3.727 -2.029 1.00 0.00 C ATOM 114 CZ TYR A 7 0.371 -4.440 -3.180 1.00 0.00 C ATOM 115 OH TYR A 7 0.884 -3.810 -4.294 1.00 0.00 O ATOM 0 H TYR A 7 -3.705 -5.057 0.100 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.555 -7.762 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.298 -5.659 1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.612 -7.193 0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.636 -7.477 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.572 -3.781 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.287 -6.361 -4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.340 -2.669 -1.998 1.00 0.00 H new ATOM 0 HH TYR A 7 1.016 -2.859 -4.100 1.00 0.00 H new ATOM 125 N CYS A 8 -3.658 -6.347 2.133 1.00 0.00 N ATOM 126 CA CYS A 8 -4.386 -6.571 3.426 1.00 0.00 C ATOM 127 C CYS A 8 -5.627 -5.659 3.457 1.00 0.00 C ATOM 128 O CYS A 8 -6.100 -5.227 2.424 1.00 0.00 O ATOM 129 CB CYS A 8 -3.466 -6.227 4.608 1.00 0.00 C ATOM 130 SG CYS A 8 -3.067 -4.484 4.864 1.00 0.00 S ATOM 0 H CYS A 8 -3.382 -5.378 1.972 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.687 -7.616 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.931 -6.604 5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.531 -6.772 4.478 1.00 0.00 H new ATOM 135 N GLU A 9 -6.111 -5.393 4.649 1.00 0.00 N ATOM 136 CA GLU A 9 -7.316 -4.522 4.829 1.00 0.00 C ATOM 137 C GLU A 9 -6.909 -3.141 5.385 1.00 0.00 C ATOM 138 O GLU A 9 -7.395 -2.697 6.410 1.00 0.00 O ATOM 139 CB GLU A 9 -8.289 -5.239 5.797 1.00 0.00 C ATOM 140 CG GLU A 9 -8.747 -6.589 5.195 1.00 0.00 C ATOM 141 CD GLU A 9 -9.726 -7.279 6.165 1.00 0.00 C ATOM 142 OE1 GLU A 9 -9.271 -7.644 7.239 1.00 0.00 O ATOM 143 OE2 GLU A 9 -10.878 -7.406 5.781 1.00 0.00 O ATOM 0 H GLU A 9 -5.714 -5.749 5.518 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.804 -4.356 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.800 -5.408 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.155 -4.606 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.229 -6.425 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.884 -7.230 5.015 1.00 0.00 H new ATOM 150 N PHE A 10 -6.016 -2.507 4.662 1.00 0.00 N ATOM 151 CA PHE A 10 -5.516 -1.151 5.064 1.00 0.00 C ATOM 152 C PHE A 10 -6.052 -0.100 4.077 1.00 0.00 C ATOM 153 O PHE A 10 -5.797 -0.160 2.891 1.00 0.00 O ATOM 154 CB PHE A 10 -3.969 -1.137 5.040 1.00 0.00 C ATOM 155 CG PHE A 10 -3.443 0.227 5.544 1.00 0.00 C ATOM 156 CD1 PHE A 10 -3.323 0.472 6.900 1.00 0.00 C ATOM 157 CD2 PHE A 10 -3.093 1.227 4.652 1.00 0.00 C ATOM 158 CE1 PHE A 10 -2.863 1.689 7.360 1.00 0.00 C ATOM 159 CE2 PHE A 10 -2.632 2.448 5.113 1.00 0.00 C ATOM 160 CZ PHE A 10 -2.518 2.678 6.465 1.00 0.00 C ATOM 0 H PHE A 10 -5.608 -2.874 3.802 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.862 -0.921 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.580 -1.940 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.611 -1.322 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.593 -0.298 7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.180 1.053 3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.773 1.866 8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.361 3.222 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.159 3.631 6.824 1.00 0.00 H new ATOM 170 N ARG A 11 -6.795 0.830 4.621 1.00 0.00 N ATOM 171 CA ARG A 11 -7.404 1.943 3.826 1.00 0.00 C ATOM 172 C ARG A 11 -7.105 3.250 4.572 1.00 0.00 C ATOM 173 O ARG A 11 -7.544 3.451 5.687 1.00 0.00 O ATOM 174 CB ARG A 11 -8.925 1.662 3.691 1.00 0.00 C ATOM 175 CG ARG A 11 -9.606 1.341 5.036 1.00 0.00 C ATOM 176 CD ARG A 11 -11.036 0.795 4.747 1.00 0.00 C ATOM 177 NE ARG A 11 -11.703 0.271 5.987 1.00 0.00 N ATOM 178 CZ ARG A 11 -11.124 0.299 7.160 1.00 0.00 C ATOM 179 NH1 ARG A 11 -10.142 -0.526 7.412 1.00 0.00 N ATOM 180 NH2 ARG A 11 -11.548 1.158 8.042 1.00 0.00 N ATOM 0 H ARG A 11 -7.012 0.865 5.617 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.995 2.022 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.410 2.530 3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.074 0.826 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.024 0.604 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.660 2.236 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.646 1.589 4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.976 -0.001 4.004 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.642 -0.121 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.833 -1.185 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.685 -0.511 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.315 1.789 7.811 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.113 1.199 8.964 1.00 0.00 H new ATOM 194 N SER A 12 -6.355 4.101 3.920 1.00 0.00 N ATOM 195 CA SER A 12 -5.961 5.422 4.511 1.00 0.00 C ATOM 196 C SER A 12 -6.037 6.530 3.459 1.00 0.00 C ATOM 197 O SER A 12 -6.361 6.260 2.322 1.00 0.00 O ATOM 198 CB SER A 12 -4.544 5.224 5.066 1.00 0.00 C ATOM 199 OG SER A 12 -4.754 4.358 6.168 1.00 0.00 O ATOM 0 H SER A 12 -5.990 3.935 2.982 1.00 0.00 H new ATOM 0 HA SER A 12 -6.636 5.737 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.878 4.781 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.095 6.168 5.374 1.00 0.00 H new ATOM 0 HG SER A 12 -4.197 3.558 6.066 1.00 0.00 H new ATOM 205 N ALA A 13 -5.749 7.748 3.846 1.00 0.00 N ATOM 206 CA ALA A 13 -5.798 8.886 2.868 1.00 0.00 C ATOM 207 C ALA A 13 -4.448 9.616 2.853 1.00 0.00 C ATOM 208 O ALA A 13 -4.386 10.828 2.769 1.00 0.00 O ATOM 209 CB ALA A 13 -6.937 9.833 3.293 1.00 0.00 C ATOM 0 H ALA A 13 -5.482 8.006 4.796 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.988 8.521 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.993 10.670 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.883 9.291 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.742 10.209 4.297 1.00 0.00 H new ATOM 215 N ASP A 14 -3.398 8.837 2.935 1.00 0.00 N ATOM 216 CA ASP A 14 -2.017 9.404 2.929 1.00 0.00 C ATOM 217 C ASP A 14 -1.141 8.574 1.988 1.00 0.00 C ATOM 218 O ASP A 14 -0.488 7.654 2.435 1.00 0.00 O ATOM 219 CB ASP A 14 -1.435 9.370 4.363 1.00 0.00 C ATOM 220 CG ASP A 14 -0.227 10.314 4.434 1.00 0.00 C ATOM 221 OD1 ASP A 14 0.771 9.961 3.831 1.00 0.00 O ATOM 222 OD2 ASP A 14 -0.376 11.336 5.083 1.00 0.00 O ATOM 0 H ASP A 14 -3.441 7.820 3.007 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.043 10.438 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.193 9.674 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.136 8.355 4.624 1.00 0.00 H new ATOM 227 N SER A 15 -1.146 8.885 0.716 1.00 0.00 N ATOM 228 CA SER A 15 -0.301 8.109 -0.253 1.00 0.00 C ATOM 229 C SER A 15 1.113 7.847 0.308 1.00 0.00 C ATOM 230 O SER A 15 1.543 6.712 0.345 1.00 0.00 O ATOM 231 CB SER A 15 -0.216 8.905 -1.574 1.00 0.00 C ATOM 232 OG SER A 15 0.531 8.080 -2.460 1.00 0.00 O ATOM 0 H SER A 15 -1.695 9.639 0.304 1.00 0.00 H new ATOM 0 HA SER A 15 -0.762 7.136 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.209 9.113 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.275 9.866 -1.423 1.00 0.00 H new ATOM 0 HG SER A 15 0.622 8.529 -3.326 1.00 0.00 H new ATOM 238 N SER A 16 1.781 8.900 0.722 1.00 0.00 N ATOM 239 CA SER A 16 3.164 8.777 1.294 1.00 0.00 C ATOM 240 C SER A 16 3.263 7.651 2.342 1.00 0.00 C ATOM 241 O SER A 16 4.211 6.887 2.361 1.00 0.00 O ATOM 242 CB SER A 16 3.569 10.116 1.947 1.00 0.00 C ATOM 243 OG SER A 16 3.481 11.063 0.892 1.00 0.00 O ATOM 0 H SER A 16 1.421 9.854 0.687 1.00 0.00 H new ATOM 0 HA SER A 16 3.839 8.529 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.903 10.375 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.578 10.070 2.356 1.00 0.00 H new ATOM 0 HG SER A 16 3.724 11.951 1.228 1.00 0.00 H new ATOM 249 N ASN A 17 2.268 7.568 3.195 1.00 0.00 N ATOM 250 CA ASN A 17 2.293 6.502 4.235 1.00 0.00 C ATOM 251 C ASN A 17 1.902 5.164 3.596 1.00 0.00 C ATOM 252 O ASN A 17 2.561 4.176 3.824 1.00 0.00 O ATOM 253 CB ASN A 17 1.300 6.869 5.354 1.00 0.00 C ATOM 254 CG ASN A 17 1.323 5.788 6.440 1.00 0.00 C ATOM 255 OD1 ASN A 17 2.329 5.545 7.080 1.00 0.00 O ATOM 256 ND2 ASN A 17 0.233 5.114 6.679 1.00 0.00 N ATOM 0 H ASN A 17 1.455 8.183 3.213 1.00 0.00 H new ATOM 0 HA ASN A 17 3.293 6.413 4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.563 7.836 5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.295 6.965 4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.228 4.390 7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.615 5.311 6.148 1.00 0.00 H new ATOM 263 N LEU A 18 0.852 5.154 2.814 1.00 0.00 N ATOM 264 CA LEU A 18 0.398 3.893 2.149 1.00 0.00 C ATOM 265 C LEU A 18 1.536 3.166 1.421 1.00 0.00 C ATOM 266 O LEU A 18 1.714 1.986 1.621 1.00 0.00 O ATOM 267 CB LEU A 18 -0.745 4.247 1.161 1.00 0.00 C ATOM 268 CG LEU A 18 -1.295 2.972 0.446 1.00 0.00 C ATOM 269 CD1 LEU A 18 -1.875 1.971 1.460 1.00 0.00 C ATOM 270 CD2 LEU A 18 -2.433 3.387 -0.487 1.00 0.00 C ATOM 0 H LEU A 18 0.283 5.975 2.605 1.00 0.00 H new ATOM 0 HA LEU A 18 0.043 3.206 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.553 4.741 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.379 4.954 0.417 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.473 2.505 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.250 1.094 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.095 1.668 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.691 2.441 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.827 2.506 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.226 3.857 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.057 4.094 -1.227 1.00 0.00 H new ATOM 282 N LYS A 19 2.282 3.862 0.599 1.00 0.00 N ATOM 283 CA LYS A 19 3.404 3.186 -0.128 1.00 0.00 C ATOM 284 C LYS A 19 4.394 2.572 0.867 1.00 0.00 C ATOM 285 O LYS A 19 4.827 1.447 0.700 1.00 0.00 O ATOM 286 CB LYS A 19 4.139 4.213 -1.049 1.00 0.00 C ATOM 287 CG LYS A 19 4.690 5.429 -0.255 1.00 0.00 C ATOM 288 CD LYS A 19 5.576 6.370 -1.119 1.00 0.00 C ATOM 289 CE LYS A 19 4.805 7.008 -2.295 1.00 0.00 C ATOM 290 NZ LYS A 19 4.591 6.016 -3.386 1.00 0.00 N ATOM 0 H LYS A 19 2.166 4.856 0.401 1.00 0.00 H new ATOM 0 HA LYS A 19 2.989 2.388 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.961 3.714 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.451 4.565 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.854 5.999 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.273 5.068 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.983 7.159 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.423 5.806 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.844 7.383 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.361 7.864 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.857 6.440 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.177 5.175 -3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.589 5.740 -3.412 1.00 0.00 H new ATOM 304 N THR A 20 4.730 3.319 1.885 1.00 0.00 N ATOM 305 CA THR A 20 5.687 2.790 2.901 1.00 0.00 C ATOM 306 C THR A 20 5.060 1.543 3.535 1.00 0.00 C ATOM 307 O THR A 20 5.744 0.554 3.704 1.00 0.00 O ATOM 308 CB THR A 20 5.941 3.909 3.933 1.00 0.00 C ATOM 309 OG1 THR A 20 6.443 4.978 3.140 1.00 0.00 O ATOM 310 CG2 THR A 20 7.128 3.550 4.846 1.00 0.00 C ATOM 0 H THR A 20 4.387 4.264 2.057 1.00 0.00 H new ATOM 0 HA THR A 20 6.644 2.502 2.467 1.00 0.00 H new ATOM 0 HB THR A 20 5.046 4.102 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.705 5.571 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.289 4.353 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.911 2.624 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.025 3.419 4.241 1.00 0.00 H new ATOM 318 N HIS A 21 3.793 1.628 3.869 1.00 0.00 N ATOM 319 CA HIS A 21 3.069 0.471 4.479 1.00 0.00 C ATOM 320 C HIS A 21 3.277 -0.736 3.538 1.00 0.00 C ATOM 321 O HIS A 21 3.771 -1.756 3.966 1.00 0.00 O ATOM 322 CB HIS A 21 1.563 0.851 4.620 1.00 0.00 C ATOM 323 CG HIS A 21 0.753 -0.425 4.822 1.00 0.00 C ATOM 324 ND1 HIS A 21 0.537 -1.034 5.943 1.00 0.00 N ATOM 325 CD2 HIS A 21 0.117 -1.198 3.874 1.00 0.00 C ATOM 326 CE1 HIS A 21 -0.170 -2.097 5.726 1.00 0.00 C ATOM 327 NE2 HIS A 21 -0.448 -2.231 4.453 1.00 0.00 N ATOM 0 H HIS A 21 3.223 2.464 3.742 1.00 0.00 H new ATOM 0 HA HIS A 21 3.440 0.218 5.472 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.421 1.526 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.221 1.378 3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 21 0.872 -0.725 6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.088 -0.986 2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.489 -2.784 6.495 1.00 0.00 H new ATOM 335 N ILE A 22 2.889 -0.574 2.290 1.00 0.00 N ATOM 336 CA ILE A 22 3.037 -1.658 1.275 1.00 0.00 C ATOM 337 C ILE A 22 4.408 -2.332 1.356 1.00 0.00 C ATOM 338 O ILE A 22 4.471 -3.539 1.439 1.00 0.00 O ATOM 339 CB ILE A 22 2.785 -1.039 -0.142 1.00 0.00 C ATOM 340 CG1 ILE A 22 1.271 -0.667 -0.231 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.147 -2.071 -1.248 1.00 0.00 C ATOM 342 CD1 ILE A 22 0.932 0.054 -1.554 1.00 0.00 C ATOM 0 H ILE A 22 2.468 0.283 1.932 1.00 0.00 H new ATOM 0 HA ILE A 22 2.305 -2.441 1.472 1.00 0.00 H new ATOM 0 HB ILE A 22 3.406 -0.155 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.669 -1.572 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.004 -0.027 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.968 -1.631 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.198 -2.345 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.529 -2.961 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.131 0.295 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.514 0.973 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.173 -0.596 -2.395 1.00 0.00 H new ATOM 354 N LYS A 23 5.473 -1.567 1.336 1.00 0.00 N ATOM 355 CA LYS A 23 6.820 -2.215 1.414 1.00 0.00 C ATOM 356 C LYS A 23 7.014 -2.965 2.743 1.00 0.00 C ATOM 357 O LYS A 23 7.320 -4.138 2.746 1.00 0.00 O ATOM 358 CB LYS A 23 7.900 -1.118 1.251 1.00 0.00 C ATOM 359 CG LYS A 23 7.908 -0.599 -0.206 1.00 0.00 C ATOM 360 CD LYS A 23 8.535 -1.668 -1.147 1.00 0.00 C ATOM 361 CE LYS A 23 8.281 -1.292 -2.612 1.00 0.00 C ATOM 362 NZ LYS A 23 6.814 -1.279 -2.883 1.00 0.00 N ATOM 0 H LYS A 23 5.471 -0.549 1.271 1.00 0.00 H new ATOM 0 HA LYS A 23 6.906 -2.953 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.702 -0.295 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.880 -1.519 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.891 -0.372 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.476 0.329 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.607 -1.743 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.106 -2.647 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.708 -0.312 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.776 -2.005 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.646 -1.448 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.352 -2.026 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.420 -0.354 -2.616 1.00 0.00 H new ATOM 376 N THR A 24 6.821 -2.255 3.821 1.00 0.00 N ATOM 377 CA THR A 24 6.968 -2.816 5.209 1.00 0.00 C ATOM 378 C THR A 24 6.196 -4.120 5.508 1.00 0.00 C ATOM 379 O THR A 24 6.749 -5.048 6.066 1.00 0.00 O ATOM 380 CB THR A 24 6.535 -1.714 6.191 1.00 0.00 C ATOM 381 OG1 THR A 24 7.370 -0.628 5.826 1.00 0.00 O ATOM 382 CG2 THR A 24 6.956 -2.026 7.643 1.00 0.00 C ATOM 0 H THR A 24 6.557 -1.270 3.802 1.00 0.00 H new ATOM 0 HA THR A 24 8.013 -3.107 5.317 1.00 0.00 H new ATOM 0 HB THR A 24 5.455 -1.570 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.884 -0.032 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.628 -1.219 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.497 -2.962 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.041 -2.118 7.696 1.00 0.00 H new ATOM 390 N LYS A 25 4.945 -4.146 5.125 1.00 0.00 N ATOM 391 CA LYS A 25 4.060 -5.335 5.354 1.00 0.00 C ATOM 392 C LYS A 25 4.001 -6.315 4.183 1.00 0.00 C ATOM 393 O LYS A 25 3.856 -7.503 4.387 1.00 0.00 O ATOM 394 CB LYS A 25 2.611 -4.867 5.641 1.00 0.00 C ATOM 395 CG LYS A 25 2.465 -4.269 7.063 1.00 0.00 C ATOM 396 CD LYS A 25 3.139 -2.885 7.174 1.00 0.00 C ATOM 397 CE LYS A 25 2.851 -2.276 8.557 1.00 0.00 C ATOM 398 NZ LYS A 25 1.386 -2.064 8.747 1.00 0.00 N ATOM 0 H LYS A 25 4.485 -3.370 4.649 1.00 0.00 H new ATOM 0 HA LYS A 25 4.503 -5.859 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.318 -4.121 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.929 -5.710 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.408 -4.180 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.908 -4.949 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.215 -2.981 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.767 -2.225 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.232 -2.936 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.377 -1.327 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.216 -1.092 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.893 -2.215 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.027 -2.737 9.454 1.00 0.00 H new ATOM 412 N HIS A 26 4.108 -5.784 2.996 1.00 0.00 N ATOM 413 CA HIS A 26 4.057 -6.624 1.768 1.00 0.00 C ATOM 414 C HIS A 26 5.403 -6.531 1.046 1.00 0.00 C ATOM 415 O HIS A 26 5.562 -5.895 0.023 1.00 0.00 O ATOM 416 CB HIS A 26 2.868 -6.094 0.927 1.00 0.00 C ATOM 417 CG HIS A 26 1.661 -5.920 1.870 1.00 0.00 C ATOM 418 ND1 HIS A 26 1.141 -6.857 2.591 1.00 0.00 N ATOM 419 CD2 HIS A 26 0.892 -4.807 2.164 1.00 0.00 C ATOM 420 CE1 HIS A 26 0.141 -6.393 3.274 1.00 0.00 C ATOM 421 NE2 HIS A 26 -0.047 -5.119 3.033 1.00 0.00 N ATOM 0 H HIS A 26 4.231 -4.786 2.824 1.00 0.00 H new ATOM 0 HA HIS A 26 3.897 -7.682 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.126 -5.144 0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.628 -6.791 0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.469 -7.822 2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.041 -3.824 1.741 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.459 -6.980 3.953 1.00 0.00 H new ATOM 429 N SER A 27 6.337 -7.208 1.665 1.00 0.00 N ATOM 430 CA SER A 27 7.749 -7.290 1.179 1.00 0.00 C ATOM 431 C SER A 27 7.794 -8.402 0.106 1.00 0.00 C ATOM 432 O SER A 27 8.226 -9.505 0.379 1.00 0.00 O ATOM 433 CB SER A 27 8.674 -7.652 2.363 1.00 0.00 C ATOM 434 OG SER A 27 8.473 -6.672 3.372 1.00 0.00 O ATOM 0 H SER A 27 6.170 -7.730 2.525 1.00 0.00 H new ATOM 0 HA SER A 27 8.083 -6.341 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.441 -8.647 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.717 -7.668 2.045 1.00 0.00 H new ATOM 0 HG SER A 27 8.071 -5.871 2.975 1.00 0.00 H new ATOM 440 N LYS A 28 7.327 -8.025 -1.065 1.00 0.00 N ATOM 441 CA LYS A 28 7.224 -8.860 -2.323 1.00 0.00 C ATOM 442 C LYS A 28 5.731 -9.048 -2.602 1.00 0.00 C ATOM 443 O LYS A 28 5.220 -8.602 -3.609 1.00 0.00 O ATOM 444 CB LYS A 28 7.844 -10.306 -2.205 1.00 0.00 C ATOM 445 CG LYS A 28 9.398 -10.278 -2.165 1.00 0.00 C ATOM 446 CD LYS A 28 9.964 -11.718 -2.002 1.00 0.00 C ATOM 447 CE LYS A 28 9.475 -12.373 -0.685 1.00 0.00 C ATOM 448 NZ LYS A 28 10.187 -13.664 -0.462 1.00 0.00 N ATOM 0 H LYS A 28 6.979 -7.077 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 28 7.778 -8.335 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.468 -10.788 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.515 -10.911 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.783 -9.831 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.735 -9.652 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.656 -12.330 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.053 -11.685 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.654 -11.700 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.400 -12.545 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.853 -14.096 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.995 -14.308 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.210 -13.489 -0.397 1.00 0.00 H new ATOM 462 N GLU A 29 5.125 -9.725 -1.659 1.00 0.00 N ATOM 463 CA GLU A 29 3.667 -10.079 -1.636 1.00 0.00 C ATOM 464 C GLU A 29 2.769 -9.259 -2.583 1.00 0.00 C ATOM 465 O GLU A 29 2.741 -8.044 -2.517 1.00 0.00 O ATOM 466 CB GLU A 29 3.188 -9.921 -0.178 1.00 0.00 C ATOM 467 CG GLU A 29 1.727 -10.419 -0.016 1.00 0.00 C ATOM 468 CD GLU A 29 1.244 -10.115 1.415 1.00 0.00 C ATOM 469 OE1 GLU A 29 1.847 -10.645 2.334 1.00 0.00 O ATOM 470 OE2 GLU A 29 0.288 -9.363 1.512 1.00 0.00 O ATOM 0 H GLU A 29 5.624 -10.073 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 29 3.575 -11.100 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.844 -10.483 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.254 -8.874 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.080 -9.928 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.671 -11.490 -0.212 1.00 0.00 H new ATOM 477 N LYS A 30 2.067 -9.970 -3.427 1.00 0.00 N ATOM 478 CA LYS A 30 1.143 -9.332 -4.414 1.00 0.00 C ATOM 479 C LYS A 30 -0.294 -9.804 -4.166 1.00 0.00 C ATOM 480 O LYS A 30 -0.758 -9.903 -3.047 1.00 0.00 O ATOM 481 CB LYS A 30 1.596 -9.712 -5.846 1.00 0.00 C ATOM 482 CG LYS A 30 1.692 -11.249 -6.017 1.00 0.00 C ATOM 483 CD LYS A 30 2.044 -11.574 -7.489 1.00 0.00 C ATOM 484 CE LYS A 30 2.323 -13.083 -7.651 1.00 0.00 C ATOM 485 NZ LYS A 30 1.140 -13.891 -7.233 1.00 0.00 N ATOM 0 H LYS A 30 2.096 -10.988 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 30 1.173 -8.248 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.891 -9.306 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.565 -9.259 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.453 -11.655 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.746 -11.717 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.222 -11.277 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.918 -11.000 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.569 -13.302 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.190 -13.363 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.291 -14.887 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.014 -13.816 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.289 -13.534 -7.713 1.00 0.00 H new TER 499 LYS A 30 HETATM 500 ZN ZN A 31 -1.385 -3.712 3.508 1.00 0.00 ZN