USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=15 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 12 SER OG : rot 180:sc= 0.0772 USER MOD Set 1.2: A 17 ASN : amide:sc= -1.19 K(o=-1.1,f=-0.19) USER MOD Set 2.1: A 1 LYS NZ :NH3+ 135:sc= 0.0715 (180deg=-0.49) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 1 LYS N :NH3+ -171:sc= 0 (180deg=-0.0732) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -3.98! C(o=-4!,f=-4.6!) USER MOD Single : A 6 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.7) USER MOD Single : A 7 TYR OH : rot -90:sc= 0.258 USER MOD Single : A 15 SER OG : rot 86:sc= 1.07 USER MOD Single : A 16 SER OG : rot -108:sc= 0.357 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.451 (180deg=-0.859) USER MOD Single : A 20 THR OG1 : rot 86:sc= 0.286 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.787) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= 0.339 (180deg=-0.141) USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= 0.439 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.298 13.314 -7.197 1.00 0.00 N ATOM 2 CA LYS A 1 -7.123 14.199 -6.958 1.00 0.00 C ATOM 3 C LYS A 1 -6.048 13.405 -6.205 1.00 0.00 C ATOM 4 O LYS A 1 -4.890 13.417 -6.579 1.00 0.00 O ATOM 5 CB LYS A 1 -7.537 15.420 -6.110 1.00 0.00 C ATOM 6 CG LYS A 1 -6.341 16.400 -6.000 1.00 0.00 C ATOM 7 CD LYS A 1 -6.665 17.559 -5.027 1.00 0.00 C ATOM 8 CE LYS A 1 -6.871 17.025 -3.586 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.666 16.269 -3.134 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.967 13.790 -7.836 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.980 12.424 -7.630 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.769 13.110 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.736 14.547 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.391 15.921 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.850 15.098 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.457 15.864 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.103 16.802 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.854 18.287 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.564 18.079 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.062 17.856 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.748 16.378 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.421 16.554 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.868 15.249 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.868 16.477 -3.768 1.00 0.00 H new ATOM 25 N THR A 2 -6.477 12.736 -5.164 1.00 0.00 N ATOM 26 CA THR A 2 -5.534 11.919 -4.338 1.00 0.00 C ATOM 27 C THR A 2 -5.548 10.500 -4.923 1.00 0.00 C ATOM 28 O THR A 2 -6.410 10.172 -5.718 1.00 0.00 O ATOM 29 CB THR A 2 -6.031 11.895 -2.879 1.00 0.00 C ATOM 30 OG1 THR A 2 -6.297 13.238 -2.493 1.00 0.00 O ATOM 31 CG2 THR A 2 -4.929 11.470 -1.902 1.00 0.00 C ATOM 0 H THR A 2 -7.447 12.720 -4.848 1.00 0.00 H new ATOM 0 HA THR A 2 -4.525 12.332 -4.352 1.00 0.00 H new ATOM 0 HB THR A 2 -6.882 11.215 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.617 13.255 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.324 11.467 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.581 10.469 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.096 12.171 -1.965 1.00 0.00 H new ATOM 39 N TYR A 3 -4.594 9.703 -4.512 1.00 0.00 N ATOM 40 CA TYR A 3 -4.496 8.294 -5.009 1.00 0.00 C ATOM 41 C TYR A 3 -4.534 7.332 -3.819 1.00 0.00 C ATOM 42 O TYR A 3 -4.100 7.676 -2.738 1.00 0.00 O ATOM 43 CB TYR A 3 -3.160 8.093 -5.773 1.00 0.00 C ATOM 44 CG TYR A 3 -2.938 9.206 -6.814 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.507 10.460 -6.415 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.164 8.975 -8.158 1.00 0.00 C ATOM 47 CE1 TYR A 3 -2.308 11.462 -7.340 1.00 0.00 C ATOM 48 CE2 TYR A 3 -2.964 9.980 -9.083 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.536 11.229 -8.680 1.00 0.00 C ATOM 50 OH TYR A 3 -2.339 12.234 -9.605 1.00 0.00 O ATOM 0 H TYR A 3 -3.870 9.971 -3.845 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.332 8.095 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.331 8.084 -5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.165 7.123 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.325 10.655 -5.368 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.499 8.002 -8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.972 12.435 -7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.144 9.788 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.545 11.898 -10.502 1.00 0.00 H new ATOM 60 N GLN A 4 -5.046 6.155 -4.077 1.00 0.00 N ATOM 61 CA GLN A 4 -5.169 5.075 -3.041 1.00 0.00 C ATOM 62 C GLN A 4 -4.360 3.875 -3.592 1.00 0.00 C ATOM 63 O GLN A 4 -4.038 3.894 -4.765 1.00 0.00 O ATOM 64 CB GLN A 4 -6.661 4.712 -2.903 1.00 0.00 C ATOM 65 CG GLN A 4 -6.968 3.836 -1.667 1.00 0.00 C ATOM 66 CD GLN A 4 -6.957 4.704 -0.401 1.00 0.00 C ATOM 67 OE1 GLN A 4 -7.661 5.688 -0.303 1.00 0.00 O ATOM 68 NE2 GLN A 4 -6.183 4.378 0.593 1.00 0.00 N ATOM 0 H GLN A 4 -5.397 5.886 -4.996 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.797 5.373 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.246 5.629 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.984 4.186 -3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.940 3.356 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.228 3.040 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.586 3.554 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.174 4.947 1.440 1.00 0.00 H new ATOM 77 N CYS A 5 -4.044 2.868 -2.802 1.00 0.00 N ATOM 78 CA CYS A 5 -3.266 1.726 -3.400 1.00 0.00 C ATOM 79 C CYS A 5 -4.231 0.799 -4.151 1.00 0.00 C ATOM 80 O CYS A 5 -5.433 0.903 -3.990 1.00 0.00 O ATOM 81 CB CYS A 5 -2.567 0.938 -2.298 1.00 0.00 C ATOM 82 SG CYS A 5 -1.649 -0.530 -2.827 1.00 0.00 S ATOM 0 H CYS A 5 -4.278 2.786 -1.813 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.518 2.121 -4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.877 1.607 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.316 0.630 -1.569 1.00 0.00 H new ATOM 87 N GLN A 6 -3.669 -0.082 -4.944 1.00 0.00 N ATOM 88 CA GLN A 6 -4.505 -1.045 -5.739 1.00 0.00 C ATOM 89 C GLN A 6 -4.390 -2.473 -5.164 1.00 0.00 C ATOM 90 O GLN A 6 -4.621 -3.454 -5.845 1.00 0.00 O ATOM 91 CB GLN A 6 -4.007 -0.983 -7.212 1.00 0.00 C ATOM 92 CG GLN A 6 -5.174 -0.985 -8.231 1.00 0.00 C ATOM 93 CD GLN A 6 -6.035 -2.249 -8.123 1.00 0.00 C ATOM 94 OE1 GLN A 6 -6.819 -2.415 -7.210 1.00 0.00 O ATOM 95 NE2 GLN A 6 -5.916 -3.168 -9.039 1.00 0.00 N ATOM 0 H GLN A 6 -2.662 -0.178 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.560 -0.774 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.407 -0.084 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.355 -1.834 -7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.799 -0.107 -8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.772 -0.906 -9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.261 -3.038 -9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.478 -4.017 -8.985 1.00 0.00 H new ATOM 104 N TYR A 7 -4.027 -2.528 -3.909 1.00 0.00 N ATOM 105 CA TYR A 7 -3.869 -3.819 -3.175 1.00 0.00 C ATOM 106 C TYR A 7 -4.420 -3.619 -1.763 1.00 0.00 C ATOM 107 O TYR A 7 -5.211 -4.405 -1.280 1.00 0.00 O ATOM 108 CB TYR A 7 -2.378 -4.228 -3.095 1.00 0.00 C ATOM 109 CG TYR A 7 -1.855 -4.712 -4.464 1.00 0.00 C ATOM 110 CD1 TYR A 7 -2.509 -5.717 -5.160 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.714 -4.161 -5.018 1.00 0.00 C ATOM 112 CE1 TYR A 7 -2.031 -6.158 -6.377 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.239 -4.605 -6.236 1.00 0.00 C ATOM 114 CZ TYR A 7 -0.893 -5.605 -6.923 1.00 0.00 C ATOM 115 OH TYR A 7 -0.415 -6.053 -8.137 1.00 0.00 O ATOM 0 H TYR A 7 -3.827 -1.703 -3.344 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.406 -4.610 -3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.784 -3.380 -2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.255 -5.020 -2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.402 -6.160 -4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.190 -3.376 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.553 -6.942 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.654 -4.164 -6.655 1.00 0.00 H new ATOM 0 HH TYR A 7 0.212 -6.792 -7.989 1.00 0.00 H new ATOM 125 N CYS A 8 -3.966 -2.553 -1.155 1.00 0.00 N ATOM 126 CA CYS A 8 -4.385 -2.187 0.235 1.00 0.00 C ATOM 127 C CYS A 8 -5.102 -0.833 0.206 1.00 0.00 C ATOM 128 O CYS A 8 -5.533 -0.372 -0.835 1.00 0.00 O ATOM 129 CB CYS A 8 -3.148 -2.088 1.113 1.00 0.00 C ATOM 130 SG CYS A 8 -2.155 -0.594 0.879 1.00 0.00 S ATOM 0 H CYS A 8 -3.303 -1.902 -1.576 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.059 -2.946 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.458 -2.139 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.518 -2.957 0.925 1.00 0.00 H new ATOM 135 N GLU A 9 -5.191 -0.248 1.372 1.00 0.00 N ATOM 136 CA GLU A 9 -5.856 1.077 1.530 1.00 0.00 C ATOM 137 C GLU A 9 -4.791 2.109 1.946 1.00 0.00 C ATOM 138 O GLU A 9 -4.877 2.735 2.984 1.00 0.00 O ATOM 139 CB GLU A 9 -6.984 0.926 2.605 1.00 0.00 C ATOM 140 CG GLU A 9 -7.798 2.255 2.803 1.00 0.00 C ATOM 141 CD GLU A 9 -8.571 2.732 1.547 1.00 0.00 C ATOM 142 OE1 GLU A 9 -8.628 2.010 0.563 1.00 0.00 O ATOM 143 OE2 GLU A 9 -9.079 3.837 1.649 1.00 0.00 O ATOM 0 H GLU A 9 -4.823 -0.642 2.238 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.311 1.421 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.663 0.127 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.540 0.629 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.508 2.113 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.112 3.043 3.112 1.00 0.00 H new HETATM 150 N ALC A 10 -3.796 2.253 1.102 1.00 0.00 N HETATM 151 CA ALC A 10 -2.705 3.238 1.392 1.00 0.00 C HETATM 152 C ALC A 10 -3.056 4.515 0.631 1.00 0.00 C HETATM 153 O ALC A 10 -3.687 4.434 -0.402 1.00 0.00 O HETATM 154 CB ALC A 10 -1.384 2.711 0.834 1.00 0.00 C HETATM 155 CG ALC A 10 -0.222 3.594 1.370 1.00 0.00 C HETATM 156 CD2 ALC A 10 0.591 2.842 2.454 1.00 0.00 C HETATM 157 CE2 ALC A 10 2.035 3.402 2.598 1.00 0.00 C HETATM 158 CZ ALC A 10 2.104 4.879 2.138 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.772 5.004 0.626 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.683 4.001 0.178 1.00 0.00 C HETATM 0 HE23 ALC A 10 2.724 2.800 2.005 1.00 0.00 H new HETATM 0 HE22 ALC A 10 2.357 3.325 3.636 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.678 4.838 0.043 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.437 6.019 0.413 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.637 1.783 2.202 1.00 0.00 H new HETATM 0 HD22 ALC A 10 0.076 2.919 3.411 1.00 0.00 H new HETATM 0 HD13 ALC A 10 1.153 3.114 -0.246 1.00 0.00 H new HETATM 0 HD12 ALC A 10 0.075 4.447 -0.609 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 3.100 5.278 2.330 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 1.403 5.478 2.719 1.00 0.00 H new HETATM 0 HG ALC A 10 -0.630 4.489 1.839 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.237 1.673 1.132 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.401 2.731 -0.256 1.00 0.00 H new HETATM 0 HA ALC A 10 -2.610 3.407 2.465 1.00 0.00 H new ATOM 176 N ARG A 11 -2.637 5.646 1.147 1.00 0.00 N ATOM 177 CA ARG A 11 -2.945 6.942 0.469 1.00 0.00 C ATOM 178 C ARG A 11 -1.675 7.737 0.117 1.00 0.00 C ATOM 179 O ARG A 11 -0.747 7.823 0.899 1.00 0.00 O ATOM 180 CB ARG A 11 -3.842 7.775 1.411 1.00 0.00 C ATOM 181 CG ARG A 11 -4.654 8.821 0.616 1.00 0.00 C ATOM 182 CD ARG A 11 -5.832 8.104 -0.080 1.00 0.00 C ATOM 183 NE ARG A 11 -6.559 9.085 -0.943 1.00 0.00 N ATOM 184 CZ ARG A 11 -7.784 9.445 -0.665 1.00 0.00 C ATOM 185 NH1 ARG A 11 -8.659 8.536 -0.324 1.00 0.00 N ATOM 186 NH2 ARG A 11 -8.099 10.711 -0.740 1.00 0.00 N ATOM 0 H ARG A 11 -2.096 5.726 2.008 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.453 6.729 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.521 7.115 1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.226 8.277 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.025 9.599 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.020 9.311 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.464 7.273 -0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.509 7.683 0.664 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.092 9.479 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.383 7.555 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.618 8.807 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.394 11.397 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.050 11.013 -0.527 1.00 0.00 H new ATOM 200 N SER A 12 -1.698 8.288 -1.069 1.00 0.00 N ATOM 201 CA SER A 12 -0.564 9.112 -1.602 1.00 0.00 C ATOM 202 C SER A 12 -1.168 10.293 -2.370 1.00 0.00 C ATOM 203 O SER A 12 -2.335 10.269 -2.708 1.00 0.00 O ATOM 204 CB SER A 12 0.310 8.283 -2.564 1.00 0.00 C ATOM 205 OG SER A 12 0.824 7.201 -1.798 1.00 0.00 O ATOM 0 H SER A 12 -2.483 8.199 -1.714 1.00 0.00 H new ATOM 0 HA SER A 12 0.062 9.452 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.277 7.919 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.118 8.888 -2.975 1.00 0.00 H new ATOM 0 HG SER A 12 1.390 6.638 -2.366 1.00 0.00 H new ATOM 211 N ALA A 13 -0.362 11.287 -2.637 1.00 0.00 N ATOM 212 CA ALA A 13 -0.850 12.490 -3.383 1.00 0.00 C ATOM 213 C ALA A 13 -0.103 12.675 -4.710 1.00 0.00 C ATOM 214 O ALA A 13 -0.321 13.656 -5.395 1.00 0.00 O ATOM 215 CB ALA A 13 -0.653 13.722 -2.494 1.00 0.00 C ATOM 0 H ALA A 13 0.622 11.319 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.905 12.354 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.003 14.610 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.221 13.600 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.405 13.834 -2.257 1.00 0.00 H new ATOM 221 N ASP A 14 0.749 11.734 -5.037 1.00 0.00 N ATOM 222 CA ASP A 14 1.533 11.822 -6.310 1.00 0.00 C ATOM 223 C ASP A 14 1.367 10.565 -7.175 1.00 0.00 C ATOM 224 O ASP A 14 0.912 10.676 -8.295 1.00 0.00 O ATOM 225 CB ASP A 14 3.027 12.031 -5.955 1.00 0.00 C ATOM 226 CG ASP A 14 3.917 12.204 -7.214 1.00 0.00 C ATOM 227 OD1 ASP A 14 3.398 12.447 -8.294 1.00 0.00 O ATOM 228 OD2 ASP A 14 5.111 12.080 -7.004 1.00 0.00 O ATOM 0 H ASP A 14 0.936 10.904 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 14 1.157 12.663 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.127 12.911 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.383 11.178 -5.377 1.00 0.00 H new ATOM 233 N SER A 15 1.753 9.449 -6.595 1.00 0.00 N ATOM 234 CA SER A 15 1.720 8.060 -7.185 1.00 0.00 C ATOM 235 C SER A 15 3.135 7.458 -7.134 1.00 0.00 C ATOM 236 O SER A 15 3.263 6.270 -6.922 1.00 0.00 O ATOM 237 CB SER A 15 1.267 8.019 -8.680 1.00 0.00 C ATOM 238 OG SER A 15 -0.115 8.356 -8.638 1.00 0.00 O ATOM 0 H SER A 15 2.125 9.449 -5.645 1.00 0.00 H new ATOM 0 HA SER A 15 0.995 7.501 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.831 8.728 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.423 7.032 -9.116 1.00 0.00 H new ATOM 0 HG SER A 15 -0.215 9.331 -8.657 1.00 0.00 H new ATOM 244 N SER A 16 4.166 8.255 -7.337 1.00 0.00 N ATOM 245 CA SER A 16 5.573 7.708 -7.285 1.00 0.00 C ATOM 246 C SER A 16 5.721 6.856 -6.009 1.00 0.00 C ATOM 247 O SER A 16 6.122 5.709 -6.045 1.00 0.00 O ATOM 248 CB SER A 16 6.594 8.884 -7.274 1.00 0.00 C ATOM 249 OG SER A 16 6.383 9.612 -6.073 1.00 0.00 O ATOM 0 H SER A 16 4.097 9.253 -7.535 1.00 0.00 H new ATOM 0 HA SER A 16 5.770 7.090 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.616 8.507 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.451 9.526 -8.143 1.00 0.00 H new ATOM 0 HG SER A 16 5.956 10.469 -6.281 1.00 0.00 H new ATOM 255 N ASN A 17 5.364 7.483 -4.917 1.00 0.00 N ATOM 256 CA ASN A 17 5.423 6.846 -3.570 1.00 0.00 C ATOM 257 C ASN A 17 4.572 5.573 -3.533 1.00 0.00 C ATOM 258 O ASN A 17 4.940 4.608 -2.899 1.00 0.00 O ATOM 259 CB ASN A 17 4.905 7.842 -2.526 1.00 0.00 C ATOM 260 CG ASN A 17 4.935 7.193 -1.136 1.00 0.00 C ATOM 261 OD1 ASN A 17 5.985 6.932 -0.582 1.00 0.00 O ATOM 262 ND2 ASN A 17 3.809 6.914 -0.538 1.00 0.00 N ATOM 0 H ASN A 17 5.022 8.444 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 17 6.456 6.574 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.519 8.742 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.889 8.148 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.816 6.481 0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.922 7.129 -0.994 1.00 0.00 H new ATOM 269 N LEU A 18 3.456 5.619 -4.215 1.00 0.00 N ATOM 270 CA LEU A 18 2.522 4.456 -4.266 1.00 0.00 C ATOM 271 C LEU A 18 3.190 3.260 -4.956 1.00 0.00 C ATOM 272 O LEU A 18 3.102 2.150 -4.476 1.00 0.00 O ATOM 273 CB LEU A 18 1.261 4.913 -5.019 1.00 0.00 C ATOM 274 CG LEU A 18 0.082 3.939 -4.809 1.00 0.00 C ATOM 275 CD1 LEU A 18 -0.377 3.994 -3.329 1.00 0.00 C ATOM 276 CD2 LEU A 18 -1.073 4.387 -5.723 1.00 0.00 C ATOM 0 H LEU A 18 3.148 6.431 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 18 2.254 4.127 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.975 5.908 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.482 4.992 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 18 0.383 2.919 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.210 3.306 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.451 3.707 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.695 5.007 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.921 3.714 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.372 5.402 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.745 4.362 -6.762 1.00 0.00 H new ATOM 288 N LYS A 19 3.835 3.504 -6.066 1.00 0.00 N ATOM 289 CA LYS A 19 4.515 2.376 -6.779 1.00 0.00 C ATOM 290 C LYS A 19 5.625 1.852 -5.865 1.00 0.00 C ATOM 291 O LYS A 19 5.680 0.668 -5.595 1.00 0.00 O ATOM 292 CB LYS A 19 5.112 2.884 -8.097 1.00 0.00 C ATOM 293 CG LYS A 19 3.967 3.224 -9.078 1.00 0.00 C ATOM 294 CD LYS A 19 4.545 3.658 -10.448 1.00 0.00 C ATOM 295 CE LYS A 19 5.241 5.029 -10.347 1.00 0.00 C ATOM 296 NZ LYS A 19 4.246 6.072 -9.957 1.00 0.00 N ATOM 0 H LYS A 19 3.922 4.420 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 19 3.806 1.580 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.725 3.767 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.765 2.126 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.320 2.357 -9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.351 4.023 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.256 2.911 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.744 3.707 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.044 4.986 -9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.697 5.287 -11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.658 7.016 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.392 5.973 -10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.995 5.954 -8.955 1.00 0.00 H new ATOM 310 N THR A 20 6.471 2.753 -5.420 1.00 0.00 N ATOM 311 CA THR A 20 7.602 2.381 -4.508 1.00 0.00 C ATOM 312 C THR A 20 7.037 1.566 -3.327 1.00 0.00 C ATOM 313 O THR A 20 7.623 0.591 -2.887 1.00 0.00 O ATOM 314 CB THR A 20 8.275 3.670 -3.992 1.00 0.00 C ATOM 315 OG1 THR A 20 8.719 4.359 -5.156 1.00 0.00 O ATOM 316 CG2 THR A 20 9.576 3.338 -3.233 1.00 0.00 C ATOM 0 H THR A 20 6.425 3.745 -5.654 1.00 0.00 H new ATOM 0 HA THR A 20 8.341 1.782 -5.040 1.00 0.00 H new ATOM 0 HB THR A 20 7.580 4.217 -3.355 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.989 4.909 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.035 4.260 -2.877 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.347 2.695 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.266 2.823 -3.902 1.00 0.00 H new ATOM 324 N HIS A 21 5.899 2.027 -2.863 1.00 0.00 N ATOM 325 CA HIS A 21 5.186 1.382 -1.732 1.00 0.00 C ATOM 326 C HIS A 21 4.895 -0.061 -2.132 1.00 0.00 C ATOM 327 O HIS A 21 5.388 -0.948 -1.473 1.00 0.00 O ATOM 328 CB HIS A 21 3.889 2.192 -1.458 1.00 0.00 C ATOM 329 CG HIS A 21 2.783 1.326 -0.850 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.690 0.967 0.386 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.676 0.755 -1.459 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.630 0.239 0.549 1.00 0.00 C ATOM 333 NE2 HIS A 21 0.977 0.085 -0.571 1.00 0.00 N ATOM 0 H HIS A 21 5.427 2.850 -3.239 1.00 0.00 H new ATOM 0 HA HIS A 21 5.776 1.371 -0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.114 3.017 -0.783 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.533 2.631 -2.390 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.350 1.218 1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.426 0.847 -2.506 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.325 -0.187 1.493 1.00 0.00 H new ATOM 341 N ILE A 22 4.123 -0.273 -3.172 1.00 0.00 N ATOM 342 CA ILE A 22 3.815 -1.679 -3.602 1.00 0.00 C ATOM 343 C ILE A 22 5.096 -2.527 -3.615 1.00 0.00 C ATOM 344 O ILE A 22 5.203 -3.513 -2.918 1.00 0.00 O ATOM 345 CB ILE A 22 3.183 -1.676 -5.031 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.813 -0.935 -4.986 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.973 -3.148 -5.503 1.00 0.00 C ATOM 348 CD1 ILE A 22 1.220 -0.770 -6.404 1.00 0.00 C ATOM 0 H ILE A 22 3.695 0.459 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 22 3.108 -2.109 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 22 3.846 -1.164 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.116 -1.492 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.941 0.045 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.532 -3.151 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.934 -3.662 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.306 -3.661 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.264 -0.250 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.908 -0.192 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.069 -1.752 -6.852 1.00 0.00 H new ATOM 360 N LYS A 23 6.007 -2.070 -4.432 1.00 0.00 N ATOM 361 CA LYS A 23 7.343 -2.701 -4.643 1.00 0.00 C ATOM 362 C LYS A 23 7.984 -3.302 -3.376 1.00 0.00 C ATOM 363 O LYS A 23 8.649 -4.316 -3.458 1.00 0.00 O ATOM 364 CB LYS A 23 8.295 -1.633 -5.240 1.00 0.00 C ATOM 365 CG LYS A 23 9.366 -2.307 -6.144 1.00 0.00 C ATOM 366 CD LYS A 23 8.959 -2.241 -7.652 1.00 0.00 C ATOM 367 CE LYS A 23 7.555 -2.831 -7.916 1.00 0.00 C ATOM 368 NZ LYS A 23 7.270 -2.804 -9.380 1.00 0.00 N ATOM 0 H LYS A 23 5.867 -1.232 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 23 7.186 -3.543 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.722 -0.910 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.783 -1.081 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.327 -1.813 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.495 -3.347 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.981 -1.203 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.694 -2.783 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.503 -3.854 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.801 -2.257 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.325 -3.201 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.303 -1.822 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.983 -3.370 -9.883 1.00 0.00 H new ATOM 382 N THR A 24 7.759 -2.643 -2.263 1.00 0.00 N ATOM 383 CA THR A 24 8.322 -3.086 -0.942 1.00 0.00 C ATOM 384 C THR A 24 7.341 -3.659 0.114 1.00 0.00 C ATOM 385 O THR A 24 7.671 -4.616 0.787 1.00 0.00 O ATOM 386 CB THR A 24 9.049 -1.866 -0.351 1.00 0.00 C ATOM 387 OG1 THR A 24 9.852 -1.378 -1.417 1.00 0.00 O ATOM 388 CG2 THR A 24 10.054 -2.258 0.748 1.00 0.00 C ATOM 0 H THR A 24 7.194 -1.795 -2.212 1.00 0.00 H new ATOM 0 HA THR A 24 8.959 -3.942 -1.164 1.00 0.00 H new ATOM 0 HB THR A 24 8.316 -1.173 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.351 -0.590 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.541 -1.362 1.133 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.528 -2.762 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.806 -2.928 0.331 1.00 0.00 H new ATOM 396 N LYS A 25 6.173 -3.077 0.230 1.00 0.00 N ATOM 397 CA LYS A 25 5.151 -3.539 1.228 1.00 0.00 C ATOM 398 C LYS A 25 4.279 -4.708 0.749 1.00 0.00 C ATOM 399 O LYS A 25 3.739 -5.427 1.569 1.00 0.00 O ATOM 400 CB LYS A 25 4.207 -2.357 1.615 1.00 0.00 C ATOM 401 CG LYS A 25 4.935 -1.230 2.413 1.00 0.00 C ATOM 402 CD LYS A 25 5.817 -0.358 1.501 1.00 0.00 C ATOM 403 CE LYS A 25 6.430 0.805 2.300 1.00 0.00 C ATOM 404 NZ LYS A 25 7.313 1.612 1.410 1.00 0.00 N ATOM 0 H LYS A 25 5.876 -2.283 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 25 5.727 -3.894 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.776 -1.932 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.380 -2.741 2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.196 -0.602 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.551 -1.677 3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.610 -0.965 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.222 0.033 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.640 1.433 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.002 0.418 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.019 2.115 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.798 0.983 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.739 2.302 0.885 1.00 0.00 H new ATOM 418 N HIS A 26 4.159 -4.874 -0.541 1.00 0.00 N ATOM 419 CA HIS A 26 3.332 -5.985 -1.104 1.00 0.00 C ATOM 420 C HIS A 26 4.285 -7.003 -1.727 1.00 0.00 C ATOM 421 O HIS A 26 4.075 -8.192 -1.596 1.00 0.00 O ATOM 422 CB HIS A 26 2.359 -5.412 -2.168 1.00 0.00 C ATOM 423 CG HIS A 26 1.311 -4.542 -1.456 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.574 -4.936 -0.467 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.921 -3.231 -1.661 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.206 -3.976 -0.078 1.00 0.00 C ATOM 427 NE2 HIS A 26 -0.014 -2.901 -0.799 1.00 0.00 N ATOM 0 H HIS A 26 4.605 -4.279 -1.240 1.00 0.00 H new ATOM 0 HA HIS A 26 2.737 -6.467 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.907 -4.820 -2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.872 -6.222 -2.711 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.603 -5.868 -0.053 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.325 -2.575 -2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.917 -4.053 0.731 1.00 0.00 H new ATOM 435 N SER A 27 5.296 -6.470 -2.371 1.00 0.00 N ATOM 436 CA SER A 27 6.376 -7.256 -3.070 1.00 0.00 C ATOM 437 C SER A 27 6.014 -8.730 -3.349 1.00 0.00 C ATOM 438 O SER A 27 6.664 -9.659 -2.908 1.00 0.00 O ATOM 439 CB SER A 27 7.655 -7.167 -2.197 1.00 0.00 C ATOM 440 OG SER A 27 7.273 -7.709 -0.940 1.00 0.00 O ATOM 0 H SER A 27 5.426 -5.461 -2.446 1.00 0.00 H new ATOM 0 HA SER A 27 6.523 -6.817 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.476 -7.732 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.995 -6.136 -2.097 1.00 0.00 H new ATOM 0 HG SER A 27 8.038 -7.688 -0.328 1.00 0.00 H new ATOM 446 N LYS A 28 4.953 -8.856 -4.099 1.00 0.00 N ATOM 447 CA LYS A 28 4.405 -10.186 -4.508 1.00 0.00 C ATOM 448 C LYS A 28 4.663 -10.307 -6.014 1.00 0.00 C ATOM 449 O LYS A 28 4.944 -11.371 -6.529 1.00 0.00 O ATOM 450 CB LYS A 28 2.895 -10.209 -4.190 1.00 0.00 C ATOM 451 CG LYS A 28 2.305 -11.596 -4.543 1.00 0.00 C ATOM 452 CD LYS A 28 0.780 -11.665 -4.244 1.00 0.00 C ATOM 453 CE LYS A 28 -0.019 -10.577 -4.998 1.00 0.00 C ATOM 454 NZ LYS A 28 0.292 -10.591 -6.455 1.00 0.00 N ATOM 0 H LYS A 28 4.423 -8.062 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 28 4.870 -11.019 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.733 -9.993 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.383 -9.431 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.479 -11.808 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.823 -12.368 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.402 -12.648 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.617 -11.554 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.087 -10.738 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.216 -9.597 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.584 -10.452 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.961 -9.826 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.716 -11.505 -6.711 1.00 0.00 H new ATOM 468 N GLU A 29 4.549 -9.172 -6.650 1.00 0.00 N ATOM 469 CA GLU A 29 4.761 -9.048 -8.118 1.00 0.00 C ATOM 470 C GLU A 29 6.020 -8.195 -8.318 1.00 0.00 C ATOM 471 O GLU A 29 6.199 -7.178 -7.675 1.00 0.00 O ATOM 472 CB GLU A 29 3.518 -8.364 -8.775 1.00 0.00 C ATOM 473 CG GLU A 29 3.121 -6.997 -8.117 1.00 0.00 C ATOM 474 CD GLU A 29 2.527 -7.194 -6.708 1.00 0.00 C ATOM 475 OE1 GLU A 29 1.491 -7.833 -6.656 1.00 0.00 O ATOM 476 OE2 GLU A 29 3.131 -6.709 -5.762 1.00 0.00 O ATOM 0 H GLU A 29 4.308 -8.293 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 29 4.886 -10.025 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.723 -8.200 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.668 -9.044 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.999 -6.354 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.395 -6.486 -8.750 1.00 0.00 H new ATOM 483 N LYS A 30 6.853 -8.658 -9.213 1.00 0.00 N ATOM 484 CA LYS A 30 8.136 -7.962 -9.543 1.00 0.00 C ATOM 485 C LYS A 30 8.239 -7.745 -11.055 1.00 0.00 C ATOM 486 O LYS A 30 7.929 -8.605 -11.856 1.00 0.00 O ATOM 487 CB LYS A 30 9.302 -8.838 -9.031 1.00 0.00 C ATOM 488 CG LYS A 30 9.311 -8.890 -7.478 1.00 0.00 C ATOM 489 CD LYS A 30 9.803 -7.542 -6.900 1.00 0.00 C ATOM 490 CE LYS A 30 9.776 -7.600 -5.364 1.00 0.00 C ATOM 491 NZ LYS A 30 10.449 -6.389 -4.813 1.00 0.00 N ATOM 0 H LYS A 30 6.694 -9.514 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 30 8.175 -6.984 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.209 -9.847 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.249 -8.438 -9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.309 -9.108 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.959 -9.698 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.814 -7.333 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.169 -6.729 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.747 -7.651 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.280 -8.501 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.151 -6.676 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.925 -5.876 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.741 -5.769 -4.370 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.663 -1.018 -0.814 1.00 0.00 ZN