USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=14 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 Single : A 1 LYS N :NH3+ 129:sc= 0.0683 (180deg=-0.119) USER MOD Single : A 1 LYS NZ :NH3+ -111:sc= 1.02 (180deg=-0.404) 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= -6.33! C(o=-6.3!,f=-9.4!) USER MOD Single : A 6 GLN : amide:sc=0.000525 X(o=0.00053,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -170:sc= 0 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= -1.1 K(o=-1.1,f=-0.061) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.18 (180deg=-0.806) USER MOD Single : A 20 THR OG1 : rot 93:sc= 0.363 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= 0.287 (180deg=-0.251) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00646 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.655) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.432 15.927 -6.978 1.00 0.00 N ATOM 2 CA LYS A 1 -6.246 14.992 -6.146 1.00 0.00 C ATOM 3 C LYS A 1 -5.330 14.020 -5.380 1.00 0.00 C ATOM 4 O LYS A 1 -4.128 14.200 -5.336 1.00 0.00 O ATOM 5 CB LYS A 1 -7.221 14.190 -7.056 1.00 0.00 C ATOM 6 CG LYS A 1 -6.454 13.285 -8.050 1.00 0.00 C ATOM 7 CD LYS A 1 -7.483 12.502 -8.897 1.00 0.00 C ATOM 8 CE LYS A 1 -6.764 11.533 -9.849 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.003 10.505 -9.082 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.792 15.926 -7.954 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.498 16.888 -6.585 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.439 15.619 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.820 15.574 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.878 13.578 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.857 14.882 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.814 13.888 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.805 12.595 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.156 11.947 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.097 13.197 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.492 11.045 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.084 12.088 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.983 10.666 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.246 10.574 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.249 9.557 -9.433 1.00 0.00 H new ATOM 25 N THR A 2 -5.941 13.018 -4.799 1.00 0.00 N ATOM 26 CA THR A 2 -5.187 11.989 -4.018 1.00 0.00 C ATOM 27 C THR A 2 -5.189 10.690 -4.836 1.00 0.00 C ATOM 28 O THR A 2 -5.911 10.559 -5.808 1.00 0.00 O ATOM 29 CB THR A 2 -5.898 11.772 -2.662 1.00 0.00 C ATOM 30 OG1 THR A 2 -6.050 13.080 -2.123 1.00 0.00 O ATOM 31 CG2 THR A 2 -5.020 11.035 -1.628 1.00 0.00 C ATOM 0 H THR A 2 -6.949 12.867 -4.834 1.00 0.00 H new ATOM 0 HA THR A 2 -4.162 12.306 -3.829 1.00 0.00 H new ATOM 0 HB THR A 2 -6.808 11.197 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.500 13.025 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.576 10.914 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.745 10.054 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.117 11.615 -1.438 1.00 0.00 H new ATOM 39 N TYR A 3 -4.358 9.778 -4.411 1.00 0.00 N ATOM 40 CA TYR A 3 -4.230 8.446 -5.090 1.00 0.00 C ATOM 41 C TYR A 3 -4.314 7.365 -4.007 1.00 0.00 C ATOM 42 O TYR A 3 -3.883 7.611 -2.901 1.00 0.00 O ATOM 43 CB TYR A 3 -2.866 8.379 -5.819 1.00 0.00 C ATOM 44 CG TYR A 3 -2.767 9.522 -6.853 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.578 10.831 -6.451 1.00 0.00 C ATOM 46 CD2 TYR A 3 -2.870 9.255 -8.205 1.00 0.00 C ATOM 47 CE1 TYR A 3 -2.500 11.850 -7.379 1.00 0.00 C ATOM 48 CE2 TYR A 3 -2.791 10.275 -9.131 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.605 11.578 -8.724 1.00 0.00 C ATOM 50 OH TYR A 3 -2.528 12.598 -9.651 1.00 0.00 O ATOM 0 H TYR A 3 -3.746 9.898 -3.604 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.021 8.298 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.053 8.459 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.757 7.416 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.490 11.059 -5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.014 8.238 -8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.356 12.868 -7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.876 10.050 -10.184 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.621 12.227 -10.554 1.00 0.00 H new ATOM 60 N GLN A 4 -4.847 6.215 -4.348 1.00 0.00 N ATOM 61 CA GLN A 4 -4.980 5.089 -3.360 1.00 0.00 C ATOM 62 C GLN A 4 -4.232 3.846 -3.887 1.00 0.00 C ATOM 63 O GLN A 4 -4.013 3.753 -5.078 1.00 0.00 O ATOM 64 CB GLN A 4 -6.503 4.806 -3.175 1.00 0.00 C ATOM 65 CG GLN A 4 -6.923 4.945 -1.687 1.00 0.00 C ATOM 66 CD GLN A 4 -6.461 3.763 -0.821 1.00 0.00 C ATOM 67 OE1 GLN A 4 -6.490 3.842 0.390 1.00 0.00 O ATOM 68 NE2 GLN A 4 -6.034 2.661 -1.375 1.00 0.00 N ATOM 0 H GLN A 4 -5.201 6.004 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.539 5.349 -2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.081 5.500 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.735 3.801 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.509 5.869 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.008 5.030 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.004 2.580 -2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.731 1.881 -0.792 1.00 0.00 H new ATOM 77 N CYS A 5 -3.866 2.924 -3.020 1.00 0.00 N ATOM 78 CA CYS A 5 -3.139 1.700 -3.485 1.00 0.00 C ATOM 79 C CYS A 5 -4.061 0.720 -4.222 1.00 0.00 C ATOM 80 O CYS A 5 -5.268 0.864 -4.198 1.00 0.00 O ATOM 81 CB CYS A 5 -2.530 1.035 -2.251 1.00 0.00 C ATOM 82 SG CYS A 5 -1.547 -0.457 -2.522 1.00 0.00 S ATOM 0 H CYS A 5 -4.040 2.969 -2.016 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.368 1.988 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.900 1.768 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.340 0.787 -1.566 1.00 0.00 H new ATOM 87 N GLN A 6 -3.436 -0.246 -4.853 1.00 0.00 N ATOM 88 CA GLN A 6 -4.179 -1.299 -5.630 1.00 0.00 C ATOM 89 C GLN A 6 -4.047 -2.674 -4.945 1.00 0.00 C ATOM 90 O GLN A 6 -4.242 -3.706 -5.559 1.00 0.00 O ATOM 91 CB GLN A 6 -3.589 -1.345 -7.063 1.00 0.00 C ATOM 92 CG GLN A 6 -2.098 -1.769 -7.012 1.00 0.00 C ATOM 93 CD GLN A 6 -1.498 -1.781 -8.421 1.00 0.00 C ATOM 94 OE1 GLN A 6 -1.459 -0.777 -9.102 1.00 0.00 O ATOM 95 NE2 GLN A 6 -1.017 -2.900 -8.893 1.00 0.00 N ATOM 0 H GLN A 6 -2.422 -0.354 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.240 -1.054 -5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.154 -2.048 -7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.681 -0.366 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.539 -1.081 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.010 -2.759 -6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.047 -3.747 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.612 -2.926 -9.829 1.00 0.00 H new ATOM 104 N TYR A 7 -3.716 -2.623 -3.680 1.00 0.00 N ATOM 105 CA TYR A 7 -3.542 -3.852 -2.845 1.00 0.00 C ATOM 106 C TYR A 7 -4.184 -3.671 -1.470 1.00 0.00 C ATOM 107 O TYR A 7 -4.972 -4.487 -1.031 1.00 0.00 O ATOM 108 CB TYR A 7 -2.038 -4.139 -2.684 1.00 0.00 C ATOM 109 CG TYR A 7 -1.469 -4.745 -3.975 1.00 0.00 C ATOM 110 CD1 TYR A 7 -1.855 -6.012 -4.369 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.574 -4.047 -4.760 1.00 0.00 C ATOM 112 CE1 TYR A 7 -1.353 -6.572 -5.524 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.072 -4.608 -5.915 1.00 0.00 C ATOM 114 CZ TYR A 7 -0.458 -5.871 -6.303 1.00 0.00 C ATOM 115 OH TYR A 7 0.048 -6.421 -7.462 1.00 0.00 O ATOM 0 H TYR A 7 -3.554 -1.752 -3.175 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.032 -4.690 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.509 -3.217 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.879 -4.825 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.557 -6.569 -3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.265 -3.054 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.662 -7.564 -5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.629 -4.052 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 7 0.664 -5.786 -7.884 1.00 0.00 H new ATOM 125 N CYS A 8 -3.806 -2.588 -0.843 1.00 0.00 N ATOM 126 CA CYS A 8 -4.315 -2.231 0.517 1.00 0.00 C ATOM 127 C CYS A 8 -5.131 -0.938 0.434 1.00 0.00 C ATOM 128 O CYS A 8 -5.570 -0.532 -0.627 1.00 0.00 O ATOM 129 CB CYS A 8 -3.130 -2.018 1.438 1.00 0.00 C ATOM 130 SG CYS A 8 -2.267 -0.445 1.199 1.00 0.00 S ATOM 0 H CYS A 8 -3.144 -1.915 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.948 -3.032 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.474 -2.076 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.421 -2.833 1.292 1.00 0.00 H new ATOM 135 N GLU A 9 -5.299 -0.332 1.581 1.00 0.00 N ATOM 136 CA GLU A 9 -6.067 0.941 1.672 1.00 0.00 C ATOM 137 C GLU A 9 -5.094 2.067 2.058 1.00 0.00 C ATOM 138 O GLU A 9 -5.238 2.723 3.071 1.00 0.00 O ATOM 139 CB GLU A 9 -7.194 0.752 2.731 1.00 0.00 C ATOM 140 CG GLU A 9 -8.127 2.008 2.797 1.00 0.00 C ATOM 141 CD GLU A 9 -8.853 2.321 1.464 1.00 0.00 C ATOM 142 OE1 GLU A 9 -8.876 1.481 0.578 1.00 0.00 O ATOM 143 OE2 GLU A 9 -9.371 3.425 1.411 1.00 0.00 O ATOM 0 H GLU A 9 -4.931 -0.672 2.469 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.531 1.207 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.785 -0.130 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.750 0.574 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.872 1.855 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.533 2.875 3.088 1.00 0.00 H new HETATM 150 N ALC A 10 -4.111 2.247 1.210 1.00 0.00 N HETATM 151 CA ALC A 10 -3.088 3.318 1.450 1.00 0.00 C HETATM 152 C ALC A 10 -3.313 4.483 0.495 1.00 0.00 C HETATM 153 O ALC A 10 -3.716 4.281 -0.629 1.00 0.00 O HETATM 154 CB ALC A 10 -1.708 2.780 1.095 1.00 0.00 C HETATM 155 CG ALC A 10 -0.609 3.734 1.660 1.00 0.00 C HETATM 156 CD2 ALC A 10 0.125 3.092 2.859 1.00 0.00 C HETATM 157 CE2 ALC A 10 1.277 4.003 3.388 1.00 0.00 C HETATM 158 CZ ALC A 10 1.488 5.276 2.517 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.615 4.890 1.022 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.397 4.060 0.521 1.00 0.00 C HETATM 0 HE23 ALC A 10 2.204 3.430 3.416 1.00 0.00 H new HETATM 0 HE22 ALC A 10 1.056 4.302 4.413 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.529 4.315 0.874 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.707 5.795 0.422 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.533 2.126 2.561 1.00 0.00 H new HETATM 0 HD22 ALC A 10 -0.587 2.903 3.662 1.00 0.00 H new HETATM 0 HD13 ALC A 10 0.753 3.130 0.077 1.00 0.00 H new HETATM 0 HD12 ALC A 10 -0.116 4.613 -0.266 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 2.386 5.802 2.841 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 0.651 5.961 2.653 1.00 0.00 H new HETATM 0 HG ALC A 10 -1.078 4.650 2.018 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.581 1.779 1.507 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.608 2.695 0.013 1.00 0.00 H new HETATM 0 HA ALC A 10 -3.166 3.627 2.492 1.00 0.00 H new ATOM 176 N ARG A 11 -3.036 5.664 0.974 1.00 0.00 N ATOM 177 CA ARG A 11 -3.205 6.884 0.137 1.00 0.00 C ATOM 178 C ARG A 11 -1.877 7.636 0.052 1.00 0.00 C ATOM 179 O ARG A 11 -1.129 7.718 1.008 1.00 0.00 O ATOM 180 CB ARG A 11 -4.297 7.819 0.745 1.00 0.00 C ATOM 181 CG ARG A 11 -4.354 7.748 2.288 1.00 0.00 C ATOM 182 CD ARG A 11 -5.309 6.605 2.701 1.00 0.00 C ATOM 183 NE ARG A 11 -5.242 6.437 4.180 1.00 0.00 N ATOM 184 CZ ARG A 11 -4.941 5.270 4.678 1.00 0.00 C ATOM 185 NH1 ARG A 11 -3.705 4.858 4.631 1.00 0.00 N ATOM 186 NH2 ARG A 11 -5.894 4.550 5.205 1.00 0.00 N ATOM 0 H ARG A 11 -2.696 5.837 1.920 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.520 6.581 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.100 8.847 0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.270 7.547 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.358 7.573 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.702 8.697 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.329 6.835 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.027 5.678 2.202 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.430 7.227 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.987 5.446 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.456 3.947 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.851 4.903 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.682 3.634 5.601 1.00 0.00 H new ATOM 200 N SER A 12 -1.651 8.155 -1.124 1.00 0.00 N ATOM 201 CA SER A 12 -0.416 8.936 -1.435 1.00 0.00 C ATOM 202 C SER A 12 -0.847 10.248 -2.096 1.00 0.00 C ATOM 203 O SER A 12 -2.018 10.473 -2.341 1.00 0.00 O ATOM 204 CB SER A 12 0.487 8.149 -2.412 1.00 0.00 C ATOM 205 OG SER A 12 0.664 6.869 -1.822 1.00 0.00 O ATOM 0 H SER A 12 -2.294 8.067 -1.911 1.00 0.00 H new ATOM 0 HA SER A 12 0.145 9.123 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.023 8.067 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.444 8.652 -2.552 1.00 0.00 H new ATOM 0 HG SER A 12 1.354 6.375 -2.313 1.00 0.00 H new ATOM 211 N ALA A 13 0.139 11.058 -2.374 1.00 0.00 N ATOM 212 CA ALA A 13 -0.085 12.384 -3.021 1.00 0.00 C ATOM 213 C ALA A 13 0.180 12.215 -4.517 1.00 0.00 C ATOM 214 O ALA A 13 -0.513 12.794 -5.330 1.00 0.00 O ATOM 215 CB ALA A 13 0.889 13.402 -2.421 1.00 0.00 C ATOM 0 H ALA A 13 1.117 10.850 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.103 12.739 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.732 14.374 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.716 13.483 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.913 13.074 -2.599 1.00 0.00 H new ATOM 221 N ASP A 14 1.180 11.426 -4.826 1.00 0.00 N ATOM 222 CA ASP A 14 1.544 11.173 -6.253 1.00 0.00 C ATOM 223 C ASP A 14 1.718 9.660 -6.464 1.00 0.00 C ATOM 224 O ASP A 14 1.982 8.912 -5.541 1.00 0.00 O ATOM 225 CB ASP A 14 2.856 11.943 -6.558 1.00 0.00 C ATOM 226 CG ASP A 14 3.134 11.970 -8.078 1.00 0.00 C ATOM 227 OD1 ASP A 14 3.522 10.936 -8.592 1.00 0.00 O ATOM 228 OD2 ASP A 14 2.940 13.034 -8.643 1.00 0.00 O ATOM 0 H ASP A 14 1.764 10.943 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 14 0.764 11.520 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.782 12.962 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.690 11.470 -6.039 1.00 0.00 H new ATOM 233 N SER A 15 1.568 9.251 -7.699 1.00 0.00 N ATOM 234 CA SER A 15 1.711 7.807 -8.051 1.00 0.00 C ATOM 235 C SER A 15 3.124 7.330 -7.680 1.00 0.00 C ATOM 236 O SER A 15 3.274 6.296 -7.068 1.00 0.00 O ATOM 237 CB SER A 15 1.467 7.642 -9.555 1.00 0.00 C ATOM 238 OG SER A 15 1.549 6.239 -9.766 1.00 0.00 O ATOM 0 H SER A 15 1.350 9.863 -8.485 1.00 0.00 H new ATOM 0 HA SER A 15 0.986 7.208 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.492 8.033 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.213 8.178 -10.141 1.00 0.00 H new ATOM 0 HG SER A 15 1.401 6.042 -10.715 1.00 0.00 H new ATOM 244 N SER A 16 4.110 8.098 -8.067 1.00 0.00 N ATOM 245 CA SER A 16 5.550 7.783 -7.784 1.00 0.00 C ATOM 246 C SER A 16 5.764 7.148 -6.390 1.00 0.00 C ATOM 247 O SER A 16 6.433 6.145 -6.232 1.00 0.00 O ATOM 248 CB SER A 16 6.350 9.093 -7.905 1.00 0.00 C ATOM 249 OG SER A 16 7.699 8.709 -7.673 1.00 0.00 O ATOM 0 H SER A 16 3.973 8.964 -8.588 1.00 0.00 H new ATOM 0 HA SER A 16 5.893 7.042 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.229 9.542 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.016 9.831 -7.175 1.00 0.00 H new ATOM 0 HG SER A 16 8.279 9.497 -7.735 1.00 0.00 H new ATOM 255 N ASN A 17 5.169 7.769 -5.403 1.00 0.00 N ATOM 256 CA ASN A 17 5.296 7.262 -4.002 1.00 0.00 C ATOM 257 C ASN A 17 4.505 5.952 -3.850 1.00 0.00 C ATOM 258 O ASN A 17 5.016 4.982 -3.332 1.00 0.00 O ATOM 259 CB ASN A 17 4.753 8.343 -3.041 1.00 0.00 C ATOM 260 CG ASN A 17 4.984 7.969 -1.562 1.00 0.00 C ATOM 261 OD1 ASN A 17 4.521 8.649 -0.669 1.00 0.00 O ATOM 262 ND2 ASN A 17 5.687 6.914 -1.248 1.00 0.00 N ATOM 0 H ASN A 17 4.599 8.608 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 17 6.340 7.057 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.239 9.295 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.686 8.483 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.838 6.675 -0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.085 6.329 -1.983 1.00 0.00 H new ATOM 269 N LEU A 18 3.281 5.956 -4.308 1.00 0.00 N ATOM 270 CA LEU A 18 2.409 4.741 -4.220 1.00 0.00 C ATOM 271 C LEU A 18 3.127 3.522 -4.809 1.00 0.00 C ATOM 272 O LEU A 18 3.091 2.439 -4.268 1.00 0.00 O ATOM 273 CB LEU A 18 1.113 5.030 -4.993 1.00 0.00 C ATOM 274 CG LEU A 18 0.047 3.939 -4.729 1.00 0.00 C ATOM 275 CD1 LEU A 18 -0.525 4.139 -3.303 1.00 0.00 C ATOM 276 CD2 LEU A 18 -1.063 4.088 -5.782 1.00 0.00 C ATOM 0 H LEU A 18 2.839 6.763 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 18 2.181 4.517 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.721 6.004 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.327 5.082 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 18 0.479 2.941 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.278 3.377 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.280 4.054 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.980 5.127 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.827 3.328 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.512 5.078 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.639 3.964 -6.778 1.00 0.00 H new ATOM 288 N LYS A 19 3.757 3.752 -5.924 1.00 0.00 N ATOM 289 CA LYS A 19 4.515 2.674 -6.623 1.00 0.00 C ATOM 290 C LYS A 19 5.572 2.163 -5.650 1.00 0.00 C ATOM 291 O LYS A 19 5.579 0.983 -5.355 1.00 0.00 O ATOM 292 CB LYS A 19 5.091 3.324 -7.917 1.00 0.00 C ATOM 293 CG LYS A 19 6.174 2.495 -8.660 1.00 0.00 C ATOM 294 CD LYS A 19 7.549 2.638 -7.951 1.00 0.00 C ATOM 295 CE LYS A 19 8.691 2.186 -8.876 1.00 0.00 C ATOM 296 NZ LYS A 19 8.738 3.045 -10.095 1.00 0.00 N ATOM 0 H LYS A 19 3.780 4.658 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 19 3.920 1.810 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.267 3.512 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.516 4.293 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.881 1.446 -8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.254 2.833 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.704 3.675 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.556 2.042 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.642 2.242 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.546 1.144 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.708 3.065 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.097 2.659 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.441 4.011 -9.850 1.00 0.00 H new ATOM 310 N THR A 20 6.425 3.049 -5.190 1.00 0.00 N ATOM 311 CA THR A 20 7.502 2.669 -4.216 1.00 0.00 C ATOM 312 C THR A 20 6.870 1.784 -3.128 1.00 0.00 C ATOM 313 O THR A 20 7.345 0.703 -2.833 1.00 0.00 O ATOM 314 CB THR A 20 8.086 3.968 -3.634 1.00 0.00 C ATOM 315 OG1 THR A 20 8.609 4.626 -4.782 1.00 0.00 O ATOM 316 CG2 THR A 20 9.319 3.689 -2.752 1.00 0.00 C ATOM 0 H THR A 20 6.421 4.035 -5.452 1.00 0.00 H new ATOM 0 HA THR A 20 8.309 2.107 -4.686 1.00 0.00 H new ATOM 0 HB THR A 20 7.337 4.503 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.933 5.235 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.705 4.629 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.035 3.038 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.090 3.202 -3.348 1.00 0.00 H new ATOM 324 N HIS A 21 5.799 2.301 -2.570 1.00 0.00 N ATOM 325 CA HIS A 21 5.060 1.574 -1.504 1.00 0.00 C ATOM 326 C HIS A 21 4.755 0.133 -1.977 1.00 0.00 C ATOM 327 O HIS A 21 5.229 -0.799 -1.369 1.00 0.00 O ATOM 328 CB HIS A 21 3.785 2.409 -1.211 1.00 0.00 C ATOM 329 CG HIS A 21 2.709 1.567 -0.538 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.657 1.254 0.713 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.597 0.964 -1.093 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.612 0.523 0.935 1.00 0.00 C ATOM 333 NE2 HIS A 21 0.931 0.321 -0.163 1.00 0.00 N ATOM 0 H HIS A 21 5.406 3.209 -2.817 1.00 0.00 H new ATOM 0 HA HIS A 21 5.635 1.469 -0.584 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.041 3.253 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.397 2.821 -2.142 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.336 1.539 1.419 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.318 1.014 -2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.338 0.130 1.903 1.00 0.00 H new ATOM 341 N ILE A 22 3.999 -0.023 -3.037 1.00 0.00 N ATOM 342 CA ILE A 22 3.660 -1.394 -3.555 1.00 0.00 C ATOM 343 C ILE A 22 4.898 -2.305 -3.664 1.00 0.00 C ATOM 344 O ILE A 22 4.949 -3.347 -3.047 1.00 0.00 O ATOM 345 CB ILE A 22 2.980 -1.229 -4.945 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.620 -0.496 -4.748 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.733 -2.629 -5.569 1.00 0.00 C ATOM 348 CD1 ILE A 22 1.036 -0.051 -6.101 1.00 0.00 C ATOM 0 H ILE A 22 3.597 0.746 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 22 2.986 -1.879 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 22 3.621 -0.651 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.916 -1.157 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.760 0.372 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.257 -2.514 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.685 -3.147 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.084 -3.210 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.086 0.458 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.733 0.629 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.875 -0.925 -6.733 1.00 0.00 H new ATOM 360 N LYS A 23 5.843 -1.865 -4.451 1.00 0.00 N ATOM 361 CA LYS A 23 7.120 -2.615 -4.688 1.00 0.00 C ATOM 362 C LYS A 23 7.727 -3.326 -3.464 1.00 0.00 C ATOM 363 O LYS A 23 8.172 -4.451 -3.580 1.00 0.00 O ATOM 364 CB LYS A 23 8.158 -1.629 -5.274 1.00 0.00 C ATOM 365 CG LYS A 23 7.708 -1.108 -6.675 1.00 0.00 C ATOM 366 CD LYS A 23 7.671 -2.231 -7.757 1.00 0.00 C ATOM 367 CE LYS A 23 9.065 -2.855 -7.976 1.00 0.00 C ATOM 368 NZ LYS A 23 10.041 -1.813 -8.404 1.00 0.00 N ATOM 0 H LYS A 23 5.783 -0.983 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 23 6.865 -3.423 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.289 -0.787 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.126 -2.123 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.718 -0.660 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.388 -0.320 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.968 -3.007 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.304 -1.819 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.408 -3.327 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.005 -3.638 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.596 -2.167 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.529 -0.954 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.680 -1.590 -7.614 1.00 0.00 H new ATOM 382 N THR A 24 7.727 -2.654 -2.338 1.00 0.00 N ATOM 383 CA THR A 24 8.303 -3.244 -1.079 1.00 0.00 C ATOM 384 C THR A 24 7.281 -3.694 -0.008 1.00 0.00 C ATOM 385 O THR A 24 7.561 -4.606 0.746 1.00 0.00 O ATOM 386 CB THR A 24 9.266 -2.183 -0.493 1.00 0.00 C ATOM 387 OG1 THR A 24 10.164 -1.903 -1.562 1.00 0.00 O ATOM 388 CG2 THR A 24 10.162 -2.757 0.628 1.00 0.00 C ATOM 0 H THR A 24 7.350 -1.712 -2.232 1.00 0.00 H new ATOM 0 HA THR A 24 8.801 -4.173 -1.356 1.00 0.00 H new ATOM 0 HB THR A 24 8.692 -1.344 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.816 -1.230 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.819 -1.974 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.536 -3.128 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.764 -3.574 0.230 1.00 0.00 H new ATOM 396 N LYS A 25 6.136 -3.064 0.039 1.00 0.00 N ATOM 397 CA LYS A 25 5.072 -3.411 1.040 1.00 0.00 C ATOM 398 C LYS A 25 4.159 -4.567 0.590 1.00 0.00 C ATOM 399 O LYS A 25 3.613 -5.261 1.426 1.00 0.00 O ATOM 400 CB LYS A 25 4.183 -2.160 1.302 1.00 0.00 C ATOM 401 CG LYS A 25 5.012 -0.954 1.815 1.00 0.00 C ATOM 402 CD LYS A 25 5.468 -1.170 3.275 1.00 0.00 C ATOM 403 CE LYS A 25 6.239 0.077 3.748 1.00 0.00 C ATOM 404 NZ LYS A 25 6.613 -0.063 5.183 1.00 0.00 N ATOM 0 H LYS A 25 5.884 -2.302 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 25 5.591 -3.735 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.669 -1.881 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.414 -2.409 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.884 -0.811 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.415 -0.044 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.605 -1.345 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.102 -2.054 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.135 0.211 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.625 0.967 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.132 0.784 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.752 -0.169 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.216 -0.902 5.304 1.00 0.00 H new ATOM 418 N HIS A 26 4.017 -4.741 -0.700 1.00 0.00 N ATOM 419 CA HIS A 26 3.150 -5.829 -1.259 1.00 0.00 C ATOM 420 C HIS A 26 3.884 -6.845 -2.126 1.00 0.00 C ATOM 421 O HIS A 26 3.658 -8.036 -2.031 1.00 0.00 O ATOM 422 CB HIS A 26 2.043 -5.184 -2.092 1.00 0.00 C ATOM 423 CG HIS A 26 1.159 -4.325 -1.200 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.609 -4.704 -0.090 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.756 -3.021 -1.364 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.083 -3.728 0.410 1.00 0.00 C ATOM 427 NE2 HIS A 26 -0.010 -2.671 -0.359 1.00 0.00 N ATOM 0 H HIS A 26 4.474 -4.163 -1.405 1.00 0.00 H new ATOM 0 HA HIS A 26 2.763 -6.384 -0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.479 -4.574 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.445 -5.955 -2.578 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.706 -5.630 0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.028 -2.384 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.642 -3.780 1.333 1.00 0.00 H new ATOM 435 N SER A 27 4.747 -6.317 -2.945 1.00 0.00 N ATOM 436 CA SER A 27 5.558 -7.144 -3.884 1.00 0.00 C ATOM 437 C SER A 27 7.019 -7.250 -3.437 1.00 0.00 C ATOM 438 O SER A 27 7.377 -6.880 -2.336 1.00 0.00 O ATOM 439 CB SER A 27 5.454 -6.494 -5.280 1.00 0.00 C ATOM 440 OG SER A 27 4.058 -6.498 -5.551 1.00 0.00 O ATOM 0 H SER A 27 4.930 -5.315 -3.005 1.00 0.00 H new ATOM 0 HA SER A 27 5.173 -8.163 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.859 -5.482 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.009 -7.061 -6.028 1.00 0.00 H new ATOM 0 HG SER A 27 3.894 -6.096 -6.430 1.00 0.00 H new ATOM 446 N LYS A 28 7.804 -7.765 -4.347 1.00 0.00 N ATOM 447 CA LYS A 28 9.266 -7.969 -4.132 1.00 0.00 C ATOM 448 C LYS A 28 10.020 -6.907 -4.940 1.00 0.00 C ATOM 449 O LYS A 28 10.143 -7.011 -6.146 1.00 0.00 O ATOM 450 CB LYS A 28 9.624 -9.398 -4.608 1.00 0.00 C ATOM 451 CG LYS A 28 11.144 -9.661 -4.441 1.00 0.00 C ATOM 452 CD LYS A 28 11.528 -11.076 -4.959 1.00 0.00 C ATOM 453 CE LYS A 28 10.843 -12.182 -4.129 1.00 0.00 C ATOM 454 NZ LYS A 28 11.268 -13.526 -4.619 1.00 0.00 N ATOM 0 H LYS A 28 7.477 -8.064 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 28 9.542 -7.869 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.057 -10.131 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.340 -9.521 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.709 -8.905 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.419 -9.568 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.240 -11.173 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.610 -11.201 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.102 -12.071 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.760 -12.085 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.802 -14.265 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.999 -13.632 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.300 -13.619 -4.527 1.00 0.00 H new ATOM 468 N GLU A 29 10.489 -5.911 -4.228 1.00 0.00 N ATOM 469 CA GLU A 29 11.257 -4.776 -4.842 1.00 0.00 C ATOM 470 C GLU A 29 12.348 -5.338 -5.786 1.00 0.00 C ATOM 471 O GLU A 29 12.821 -6.442 -5.585 1.00 0.00 O ATOM 472 CB GLU A 29 11.883 -3.956 -3.681 1.00 0.00 C ATOM 473 CG GLU A 29 11.968 -2.439 -3.996 1.00 0.00 C ATOM 474 CD GLU A 29 12.827 -2.145 -5.234 1.00 0.00 C ATOM 475 OE1 GLU A 29 14.026 -2.347 -5.134 1.00 0.00 O ATOM 476 OE2 GLU A 29 12.226 -1.738 -6.213 1.00 0.00 O ATOM 0 H GLU A 29 10.369 -5.834 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 29 10.608 -4.133 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.291 -4.103 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.883 -4.336 -3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.963 -2.047 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.384 -1.915 -3.136 1.00 0.00 H new ATOM 483 N LYS A 30 12.720 -4.566 -6.775 1.00 0.00 N ATOM 484 CA LYS A 30 13.768 -5.006 -7.751 1.00 0.00 C ATOM 485 C LYS A 30 15.057 -4.221 -7.491 1.00 0.00 C ATOM 486 O LYS A 30 15.649 -4.283 -6.432 1.00 0.00 O ATOM 487 CB LYS A 30 13.294 -4.728 -9.190 1.00 0.00 C ATOM 488 CG LYS A 30 11.887 -5.305 -9.468 1.00 0.00 C ATOM 489 CD LYS A 30 11.860 -6.838 -9.263 1.00 0.00 C ATOM 490 CE LYS A 30 10.496 -7.388 -9.719 1.00 0.00 C ATOM 491 NZ LYS A 30 9.393 -6.786 -8.916 1.00 0.00 N ATOM 0 H LYS A 30 12.338 -3.637 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 30 13.947 -6.074 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.284 -3.652 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.006 -5.159 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.161 -4.834 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.589 -5.067 -10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.663 -7.307 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.030 -7.079 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.345 -7.170 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.481 -8.473 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.511 -7.309 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.631 -6.838 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.266 -5.791 -9.191 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.685 -0.809 -0.424 1.00 0.00 ZN