USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=17 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 19 LYS NZ :NH3+ 161:sc= -0.0607 (180deg=-0.435) USER MOD Set 1.2: A 20 THR OG1 : rot 95:sc= 0.254 USER MOD Set 2.1: A 10 TYR OH : rot 159:sc= 0.382 USER MOD Set 2.2: A 12 SER OG : rot 11:sc= 0.393 USER MOD Set 2.3: A 17 ASN :FLIP amide:sc= -0.0791 F(o=-0.88!,f=0.7) USER MOD Set 3.1: A 1 LYS N :NH3+ 156:sc= 0.0696 (180deg=-0.809) USER MOD Set 3.2: A 3 TYR OH : rot 180:sc= 0.196 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 4 GLN :FLIP amide:sc= -0.463 F(o=-3.1,f=-0.46) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -13:sc= 0.554 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0503) USER MOD Single : A 24 THR OG1 : rot 82:sc= -0.53 USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= -0.105 (180deg=-0.743) USER MOD Single : A 27 SER OG : rot 63:sc= 0.119 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0073) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.060 -8.205 11.348 1.00 0.00 N ATOM 2 CA LYS A 1 -5.632 -6.845 11.586 1.00 0.00 C ATOM 3 C LYS A 1 -5.739 -6.057 10.269 1.00 0.00 C ATOM 4 O LYS A 1 -5.705 -6.639 9.204 1.00 0.00 O ATOM 5 CB LYS A 1 -4.718 -6.097 12.584 1.00 0.00 C ATOM 6 CG LYS A 1 -3.306 -5.907 11.962 1.00 0.00 C ATOM 7 CD LYS A 1 -2.306 -5.350 12.993 1.00 0.00 C ATOM 8 CE LYS A 1 -2.799 -4.012 13.587 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.832 -3.533 14.610 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.624 -8.556 12.224 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.818 -8.854 11.054 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.340 -8.153 10.600 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.637 -6.940 11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.150 -5.127 12.831 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.643 -6.659 13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.944 -6.862 11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.370 -5.228 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -2.164 -6.076 13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.335 -5.204 12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.905 -3.269 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.784 -4.143 14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.166 -2.632 15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.752 -4.239 15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.901 -3.392 14.169 1.00 0.00 H new ATOM 25 N THR A 2 -5.873 -4.755 10.396 1.00 0.00 N ATOM 26 CA THR A 2 -5.982 -3.850 9.212 1.00 0.00 C ATOM 27 C THR A 2 -4.618 -3.148 9.148 1.00 0.00 C ATOM 28 O THR A 2 -3.899 -3.129 10.131 1.00 0.00 O ATOM 29 CB THR A 2 -7.130 -2.835 9.448 1.00 0.00 C ATOM 30 OG1 THR A 2 -6.824 -2.191 10.678 1.00 0.00 O ATOM 31 CG2 THR A 2 -8.473 -3.536 9.717 1.00 0.00 C ATOM 0 H THR A 2 -5.912 -4.274 11.295 1.00 0.00 H new ATOM 0 HA THR A 2 -6.209 -4.371 8.282 1.00 0.00 H new ATOM 0 HB THR A 2 -7.212 -2.188 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.518 -1.531 10.883 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.249 -2.787 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.738 -4.156 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.385 -4.162 10.605 1.00 0.00 H new ATOM 39 N TYR A 3 -4.284 -2.594 8.012 1.00 0.00 N ATOM 40 CA TYR A 3 -2.963 -1.907 7.870 1.00 0.00 C ATOM 41 C TYR A 3 -3.106 -0.552 7.177 1.00 0.00 C ATOM 42 O TYR A 3 -3.999 -0.371 6.379 1.00 0.00 O ATOM 43 CB TYR A 3 -2.057 -2.856 7.061 1.00 0.00 C ATOM 44 CG TYR A 3 -2.215 -4.285 7.607 1.00 0.00 C ATOM 45 CD1 TYR A 3 -1.492 -4.726 8.697 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.126 -5.140 7.013 1.00 0.00 C ATOM 47 CE1 TYR A 3 -1.682 -6.002 9.188 1.00 0.00 C ATOM 48 CE2 TYR A 3 -3.311 -6.408 7.506 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.596 -6.852 8.593 1.00 0.00 C ATOM 50 OH TYR A 3 -2.814 -8.123 9.077 1.00 0.00 O ATOM 0 H TYR A 3 -4.868 -2.587 7.176 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.532 -1.698 8.849 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.326 -2.824 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.017 -2.538 7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.775 -4.070 9.168 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.695 -4.808 6.157 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.113 -6.339 10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.027 -7.065 7.034 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.493 -8.570 8.529 1.00 0.00 H new ATOM 60 N GLN A 4 -2.204 0.337 7.506 1.00 0.00 N ATOM 61 CA GLN A 4 -2.191 1.712 6.920 1.00 0.00 C ATOM 62 C GLN A 4 -0.876 1.861 6.114 1.00 0.00 C ATOM 63 O GLN A 4 0.125 1.273 6.481 1.00 0.00 O ATOM 64 CB GLN A 4 -2.290 2.716 8.106 1.00 0.00 C ATOM 65 CG GLN A 4 -2.059 4.190 7.687 1.00 0.00 C ATOM 66 CD GLN A 4 -2.947 4.639 6.507 1.00 0.00 C ATOM 67 OE1 GLN A 4 -2.361 5.091 5.432 1.00 0.00 O flip ATOM 68 NE2 GLN A 4 -4.162 4.599 6.547 1.00 0.00 N flip ATOM 0 H GLN A 4 -1.455 0.162 8.176 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.022 1.904 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.274 2.627 8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.557 2.443 8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.250 4.837 8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.012 4.323 7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.634 4.248 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.709 4.916 5.747 1.00 0.00 H new ATOM 77 N CYS A 5 -0.908 2.638 5.053 1.00 0.00 N ATOM 78 CA CYS A 5 0.313 2.854 4.200 1.00 0.00 C ATOM 79 C CYS A 5 1.201 4.000 4.717 1.00 0.00 C ATOM 80 O CYS A 5 0.752 4.807 5.510 1.00 0.00 O ATOM 81 CB CYS A 5 -0.179 3.129 2.758 1.00 0.00 C ATOM 82 SG CYS A 5 0.868 4.093 1.645 1.00 0.00 S ATOM 0 H CYS A 5 -1.739 3.139 4.737 1.00 0.00 H new ATOM 0 HA CYS A 5 0.943 1.965 4.233 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.364 2.165 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.140 3.638 2.830 1.00 0.00 H new ATOM 87 N GLN A 6 2.427 4.025 4.232 1.00 0.00 N ATOM 88 CA GLN A 6 3.417 5.074 4.655 1.00 0.00 C ATOM 89 C GLN A 6 3.955 5.957 3.511 1.00 0.00 C ATOM 90 O GLN A 6 5.128 6.273 3.455 1.00 0.00 O ATOM 91 CB GLN A 6 4.558 4.305 5.365 1.00 0.00 C ATOM 92 CG GLN A 6 5.473 5.262 6.146 1.00 0.00 C ATOM 93 CD GLN A 6 6.607 4.478 6.819 1.00 0.00 C ATOM 94 OE1 GLN A 6 7.278 3.671 6.205 1.00 0.00 O ATOM 95 NE2 GLN A 6 6.866 4.685 8.079 1.00 0.00 N ATOM 0 H GLN A 6 2.786 3.354 3.553 1.00 0.00 H new ATOM 0 HA GLN A 6 2.923 5.793 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.134 3.567 6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.145 3.758 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.889 6.011 5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.894 5.797 6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.313 5.358 8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.622 4.174 8.535 1.00 0.00 H new ATOM 104 N TYR A 7 3.095 6.342 2.612 1.00 0.00 N ATOM 105 CA TYR A 7 3.531 7.205 1.463 1.00 0.00 C ATOM 106 C TYR A 7 2.429 8.227 1.281 1.00 0.00 C ATOM 107 O TYR A 7 2.650 9.419 1.201 1.00 0.00 O ATOM 108 CB TYR A 7 3.710 6.291 0.240 1.00 0.00 C ATOM 109 CG TYR A 7 4.752 5.240 0.654 1.00 0.00 C ATOM 110 CD1 TYR A 7 6.107 5.493 0.561 1.00 0.00 C ATOM 111 CD2 TYR A 7 4.326 4.031 1.168 1.00 0.00 C ATOM 112 CE1 TYR A 7 7.016 4.547 0.981 1.00 0.00 C ATOM 113 CE2 TYR A 7 5.231 3.088 1.588 1.00 0.00 C ATOM 114 CZ TYR A 7 6.586 3.339 1.497 1.00 0.00 C ATOM 115 OH TYR A 7 7.506 2.399 1.918 1.00 0.00 O ATOM 0 H TYR A 7 2.104 6.099 2.617 1.00 0.00 H new ATOM 0 HA TYR A 7 4.477 7.723 1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.767 5.819 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.050 6.859 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.454 6.433 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.268 3.825 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.074 4.751 0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.883 2.148 1.990 1.00 0.00 H new ATOM 0 HH TYR A 7 7.035 1.608 2.254 1.00 0.00 H new ATOM 125 N CYS A 8 1.256 7.663 1.223 1.00 0.00 N ATOM 126 CA CYS A 8 -0.001 8.428 1.058 1.00 0.00 C ATOM 127 C CYS A 8 -0.820 7.988 2.279 1.00 0.00 C ATOM 128 O CYS A 8 -0.266 7.495 3.244 1.00 0.00 O ATOM 129 CB CYS A 8 -0.689 8.011 -0.227 1.00 0.00 C ATOM 130 SG CYS A 8 -1.475 6.384 -0.274 1.00 0.00 S ATOM 0 H CYS A 8 1.117 6.654 1.287 1.00 0.00 H new ATOM 0 HA CYS A 8 0.138 9.508 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.450 8.757 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.048 8.050 -1.029 1.00 0.00 H new ATOM 135 N GLU A 9 -2.109 8.170 2.203 1.00 0.00 N ATOM 136 CA GLU A 9 -2.979 7.766 3.354 1.00 0.00 C ATOM 137 C GLU A 9 -4.118 6.799 2.961 1.00 0.00 C ATOM 138 O GLU A 9 -5.291 7.092 3.094 1.00 0.00 O ATOM 139 CB GLU A 9 -3.525 9.076 3.994 1.00 0.00 C ATOM 140 CG GLU A 9 -4.146 8.744 5.379 1.00 0.00 C ATOM 141 CD GLU A 9 -4.500 10.033 6.145 1.00 0.00 C ATOM 142 OE1 GLU A 9 -5.212 10.841 5.567 1.00 0.00 O ATOM 143 OE2 GLU A 9 -4.040 10.137 7.273 1.00 0.00 O ATOM 0 H GLU A 9 -2.598 8.576 1.405 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.385 7.198 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.721 9.803 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.274 9.528 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.042 8.138 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.444 8.150 5.964 1.00 0.00 H new ATOM 150 N TYR A 10 -3.710 5.652 2.480 1.00 0.00 N ATOM 151 CA TYR A 10 -4.666 4.589 2.054 1.00 0.00 C ATOM 152 C TYR A 10 -4.571 3.474 3.102 1.00 0.00 C ATOM 153 O TYR A 10 -3.547 3.314 3.734 1.00 0.00 O ATOM 154 CB TYR A 10 -4.221 4.099 0.685 1.00 0.00 C ATOM 155 CG TYR A 10 -4.907 2.776 0.317 1.00 0.00 C ATOM 156 CD1 TYR A 10 -6.192 2.717 -0.185 1.00 0.00 C ATOM 157 CD2 TYR A 10 -4.212 1.604 0.509 1.00 0.00 C ATOM 158 CE1 TYR A 10 -6.765 1.494 -0.490 1.00 0.00 C ATOM 159 CE2 TYR A 10 -4.780 0.388 0.208 1.00 0.00 C ATOM 160 CZ TYR A 10 -6.064 0.321 -0.292 1.00 0.00 C ATOM 161 OH TYR A 10 -6.630 -0.905 -0.579 1.00 0.00 O ATOM 0 H TYR A 10 -2.728 5.404 2.363 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.696 4.938 1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.453 4.853 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.139 3.965 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.752 3.627 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.206 1.639 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.769 1.457 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.217 -0.520 0.364 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.922 -1.572 -0.700 1.00 0.00 H new ATOM 171 N ARG A 11 -5.645 2.742 3.249 1.00 0.00 N ATOM 172 CA ARG A 11 -5.671 1.626 4.234 1.00 0.00 C ATOM 173 C ARG A 11 -6.254 0.347 3.611 1.00 0.00 C ATOM 174 O ARG A 11 -7.069 0.398 2.710 1.00 0.00 O ATOM 175 CB ARG A 11 -6.489 2.133 5.450 1.00 0.00 C ATOM 176 CG ARG A 11 -7.901 2.641 5.046 1.00 0.00 C ATOM 177 CD ARG A 11 -8.453 3.558 6.170 1.00 0.00 C ATOM 178 NE ARG A 11 -7.638 4.817 6.222 1.00 0.00 N ATOM 179 CZ ARG A 11 -8.238 5.979 6.184 1.00 0.00 C ATOM 180 NH1 ARG A 11 -9.079 6.275 7.141 1.00 0.00 N ATOM 181 NH2 ARG A 11 -7.986 6.812 5.210 1.00 0.00 N ATOM 0 H ARG A 11 -6.510 2.873 2.724 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.666 1.350 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.590 1.327 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.943 2.939 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.848 3.190 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.572 1.797 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.500 3.795 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.411 3.043 7.130 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.621 4.767 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.253 5.607 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.561 7.174 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.322 6.556 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.454 7.718 5.180 1.00 0.00 H new ATOM 195 N SER A 12 -5.793 -0.760 4.133 1.00 0.00 N ATOM 196 CA SER A 12 -6.231 -2.115 3.667 1.00 0.00 C ATOM 197 C SER A 12 -6.701 -2.908 4.895 1.00 0.00 C ATOM 198 O SER A 12 -6.440 -2.522 6.017 1.00 0.00 O ATOM 199 CB SER A 12 -5.063 -2.879 3.026 1.00 0.00 C ATOM 200 OG SER A 12 -4.663 -2.182 1.854 1.00 0.00 O ATOM 0 H SER A 12 -5.108 -0.783 4.888 1.00 0.00 H new ATOM 0 HA SER A 12 -7.025 -1.998 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.230 -2.955 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.365 -3.896 2.778 1.00 0.00 H new ATOM 0 HG SER A 12 -5.102 -1.306 1.828 1.00 0.00 H new ATOM 206 N ALA A 13 -7.371 -3.999 4.631 1.00 0.00 N ATOM 207 CA ALA A 13 -7.887 -4.877 5.729 1.00 0.00 C ATOM 208 C ALA A 13 -7.555 -6.359 5.479 1.00 0.00 C ATOM 209 O ALA A 13 -7.972 -7.212 6.239 1.00 0.00 O ATOM 210 CB ALA A 13 -9.410 -4.671 5.832 1.00 0.00 C ATOM 0 H ALA A 13 -7.587 -4.325 3.689 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.403 -4.602 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.809 -5.301 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.621 -3.626 6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.878 -4.940 4.885 1.00 0.00 H new ATOM 216 N ASP A 14 -6.810 -6.626 4.436 1.00 0.00 N ATOM 217 CA ASP A 14 -6.416 -8.029 4.076 1.00 0.00 C ATOM 218 C ASP A 14 -4.919 -8.295 4.332 1.00 0.00 C ATOM 219 O ASP A 14 -4.621 -9.240 5.032 1.00 0.00 O ATOM 220 CB ASP A 14 -6.818 -8.224 2.580 1.00 0.00 C ATOM 221 CG ASP A 14 -5.944 -9.285 1.878 1.00 0.00 C ATOM 222 OD1 ASP A 14 -4.910 -8.867 1.382 1.00 0.00 O ATOM 223 OD2 ASP A 14 -6.355 -10.433 1.882 1.00 0.00 O ATOM 0 H ASP A 14 -6.448 -5.914 3.801 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.930 -8.755 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.865 -8.521 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.727 -7.274 2.054 1.00 0.00 H new ATOM 228 N SER A 15 -4.076 -7.466 3.754 1.00 0.00 N ATOM 229 CA SER A 15 -2.562 -7.503 3.845 1.00 0.00 C ATOM 230 C SER A 15 -1.900 -7.547 2.454 1.00 0.00 C ATOM 231 O SER A 15 -1.223 -6.601 2.095 1.00 0.00 O ATOM 232 CB SER A 15 -2.014 -8.744 4.619 1.00 0.00 C ATOM 233 OG SER A 15 -2.380 -8.543 5.977 1.00 0.00 O ATOM 0 H SER A 15 -4.405 -6.696 3.171 1.00 0.00 H new ATOM 0 HA SER A 15 -2.313 -6.587 4.381 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.442 -9.668 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.932 -8.825 4.513 1.00 0.00 H new ATOM 0 HG SER A 15 -2.677 -7.617 6.102 1.00 0.00 H new ATOM 239 N SER A 16 -2.083 -8.610 1.700 1.00 0.00 N ATOM 240 CA SER A 16 -1.454 -8.685 0.330 1.00 0.00 C ATOM 241 C SER A 16 -1.834 -7.409 -0.433 1.00 0.00 C ATOM 242 O SER A 16 -1.050 -6.828 -1.155 1.00 0.00 O ATOM 243 CB SER A 16 -1.978 -9.929 -0.433 1.00 0.00 C ATOM 244 OG SER A 16 -1.578 -11.041 0.356 1.00 0.00 O ATOM 0 H SER A 16 -2.636 -9.424 1.968 1.00 0.00 H new ATOM 0 HA SER A 16 -0.371 -8.770 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.062 -9.895 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.554 -9.984 -1.436 1.00 0.00 H new ATOM 0 HG SER A 16 -1.881 -11.870 -0.070 1.00 0.00 H new ATOM 250 N ASN A 17 -3.073 -7.054 -0.226 1.00 0.00 N ATOM 251 CA ASN A 17 -3.701 -5.846 -0.824 1.00 0.00 C ATOM 252 C ASN A 17 -2.776 -4.625 -0.591 1.00 0.00 C ATOM 253 O ASN A 17 -2.405 -3.949 -1.529 1.00 0.00 O ATOM 254 CB ASN A 17 -5.079 -5.744 -0.135 1.00 0.00 C ATOM 255 CG ASN A 17 -5.802 -4.403 -0.330 1.00 0.00 C ATOM 256 OD1 ASN A 17 -5.329 -3.500 -1.139 1.00 0.00 O flip ATOM 257 ND2 ASN A 17 -6.830 -4.163 0.272 1.00 0.00 N flip ATOM 0 H ASN A 17 -3.708 -7.587 0.369 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.838 -5.891 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.718 -6.543 -0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.949 -5.918 0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.220 -4.855 0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.303 -3.269 0.138 1.00 0.00 H new ATOM 264 N LEU A 18 -2.414 -4.381 0.648 1.00 0.00 N ATOM 265 CA LEU A 18 -1.517 -3.214 0.965 1.00 0.00 C ATOM 266 C LEU A 18 -0.114 -3.419 0.359 1.00 0.00 C ATOM 267 O LEU A 18 0.426 -2.479 -0.191 1.00 0.00 O ATOM 268 CB LEU A 18 -1.378 -3.049 2.498 1.00 0.00 C ATOM 269 CG LEU A 18 -0.855 -1.600 2.836 1.00 0.00 C ATOM 270 CD1 LEU A 18 -2.001 -0.564 2.802 1.00 0.00 C ATOM 271 CD2 LEU A 18 -0.214 -1.573 4.227 1.00 0.00 C ATOM 0 H LEU A 18 -2.699 -4.937 1.454 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.968 -2.320 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.341 -3.219 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.688 -3.795 2.892 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.116 -1.340 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.606 0.424 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.447 -0.547 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.760 -0.837 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.142 -0.566 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.952 -1.866 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.625 -2.268 4.254 1.00 0.00 H new ATOM 283 N LYS A 19 0.441 -4.609 0.484 1.00 0.00 N ATOM 284 CA LYS A 19 1.809 -4.876 -0.092 1.00 0.00 C ATOM 285 C LYS A 19 1.830 -4.341 -1.523 1.00 0.00 C ATOM 286 O LYS A 19 2.656 -3.526 -1.884 1.00 0.00 O ATOM 287 CB LYS A 19 2.082 -6.403 -0.087 1.00 0.00 C ATOM 288 CG LYS A 19 3.438 -6.722 -0.782 1.00 0.00 C ATOM 289 CD LYS A 19 3.651 -8.254 -0.890 1.00 0.00 C ATOM 290 CE LYS A 19 2.606 -8.873 -1.853 1.00 0.00 C ATOM 291 NZ LYS A 19 2.720 -8.282 -3.222 1.00 0.00 N ATOM 0 H LYS A 19 0.009 -5.403 0.957 1.00 0.00 H new ATOM 0 HA LYS A 19 2.580 -4.384 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.098 -6.771 0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.273 -6.924 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.456 -6.276 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.256 -6.275 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.658 -8.464 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.564 -8.711 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.750 -9.952 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.602 -8.704 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.259 -8.910 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.257 -7.351 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.724 -8.174 -3.471 1.00 0.00 H new ATOM 305 N THR A 20 0.892 -4.832 -2.292 1.00 0.00 N ATOM 306 CA THR A 20 0.745 -4.426 -3.715 1.00 0.00 C ATOM 307 C THR A 20 0.601 -2.907 -3.720 1.00 0.00 C ATOM 308 O THR A 20 1.460 -2.271 -4.286 1.00 0.00 O ATOM 309 CB THR A 20 -0.494 -5.170 -4.256 1.00 0.00 C ATOM 310 OG1 THR A 20 -0.167 -6.540 -4.065 1.00 0.00 O ATOM 311 CG2 THR A 20 -0.673 -5.017 -5.767 1.00 0.00 C ATOM 0 H THR A 20 0.204 -5.517 -1.979 1.00 0.00 H new ATOM 0 HA THR A 20 1.591 -4.681 -4.354 1.00 0.00 H new ATOM 0 HB THR A 20 -1.391 -4.796 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.536 -6.848 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.561 -5.563 -6.085 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.788 -3.962 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.202 -5.417 -6.279 1.00 0.00 H new ATOM 319 N HIS A 21 -0.437 -2.364 -3.119 1.00 0.00 N ATOM 320 CA HIS A 21 -0.641 -0.874 -3.074 1.00 0.00 C ATOM 321 C HIS A 21 0.716 -0.109 -3.015 1.00 0.00 C ATOM 322 O HIS A 21 1.012 0.661 -3.899 1.00 0.00 O ATOM 323 CB HIS A 21 -1.527 -0.556 -1.835 1.00 0.00 C ATOM 324 CG HIS A 21 -1.590 0.947 -1.600 1.00 0.00 C ATOM 325 ND1 HIS A 21 -2.577 1.735 -1.895 1.00 0.00 N ATOM 326 CD2 HIS A 21 -0.634 1.769 -1.042 1.00 0.00 C ATOM 327 CE1 HIS A 21 -2.276 2.952 -1.554 1.00 0.00 C ATOM 328 NE2 HIS A 21 -1.084 2.993 -1.029 1.00 0.00 N ATOM 0 H HIS A 21 -1.165 -2.901 -2.649 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.136 -0.539 -3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.532 -0.949 -1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.122 -1.052 -0.953 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -3.454 1.444 -2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.331 1.451 -0.675 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.922 3.808 -1.687 1.00 0.00 H new ATOM 336 N ILE A 22 1.507 -0.335 -1.992 1.00 0.00 N ATOM 337 CA ILE A 22 2.827 0.360 -1.883 1.00 0.00 C ATOM 338 C ILE A 22 3.684 0.073 -3.126 1.00 0.00 C ATOM 339 O ILE A 22 4.264 0.994 -3.673 1.00 0.00 O ATOM 340 CB ILE A 22 3.547 -0.111 -0.569 1.00 0.00 C ATOM 341 CG1 ILE A 22 2.699 0.363 0.650 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.971 0.538 -0.513 1.00 0.00 C ATOM 343 CD1 ILE A 22 3.095 -0.427 1.915 1.00 0.00 C ATOM 0 H ILE A 22 1.293 -0.974 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 22 2.676 1.438 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 22 3.646 -1.196 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.852 1.429 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.639 0.222 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.481 0.218 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.548 0.224 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.876 1.624 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.495 -0.086 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.919 -1.490 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.151 -0.263 2.130 1.00 0.00 H new ATOM 355 N LYS A 23 3.741 -1.172 -3.536 1.00 0.00 N ATOM 356 CA LYS A 23 4.552 -1.540 -4.755 1.00 0.00 C ATOM 357 C LYS A 23 3.743 -1.493 -6.087 1.00 0.00 C ATOM 358 O LYS A 23 4.185 -2.033 -7.085 1.00 0.00 O ATOM 359 CB LYS A 23 5.094 -2.963 -4.574 1.00 0.00 C ATOM 360 CG LYS A 23 6.153 -3.050 -3.463 1.00 0.00 C ATOM 361 CD LYS A 23 6.603 -4.521 -3.378 1.00 0.00 C ATOM 362 CE LYS A 23 7.751 -4.683 -2.361 1.00 0.00 C ATOM 363 NZ LYS A 23 7.298 -4.354 -0.978 1.00 0.00 N ATOM 0 H LYS A 23 3.264 -1.952 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 23 5.348 -0.799 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.269 -3.636 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.528 -3.306 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.000 -2.401 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.740 -2.718 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.761 -5.148 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.929 -4.864 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.124 -5.707 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.581 -4.033 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.059 -4.569 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.060 -3.343 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.458 -4.921 -0.744 1.00 0.00 H new ATOM 377 N THR A 24 2.602 -0.853 -6.058 1.00 0.00 N ATOM 378 CA THR A 24 1.724 -0.733 -7.273 1.00 0.00 C ATOM 379 C THR A 24 1.303 0.701 -7.584 1.00 0.00 C ATOM 380 O THR A 24 1.158 1.075 -8.732 1.00 0.00 O ATOM 381 CB THR A 24 0.480 -1.619 -7.039 1.00 0.00 C ATOM 382 OG1 THR A 24 0.978 -2.949 -7.123 1.00 0.00 O ATOM 383 CG2 THR A 24 -0.579 -1.480 -8.155 1.00 0.00 C ATOM 0 H THR A 24 2.229 -0.396 -5.226 1.00 0.00 H new ATOM 0 HA THR A 24 2.295 -1.062 -8.141 1.00 0.00 H new ATOM 0 HB THR A 24 0.006 -1.345 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.377 -3.204 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.428 -2.127 -7.934 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.916 -0.445 -8.210 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.141 -1.770 -9.110 1.00 0.00 H new ATOM 391 N LYS A 25 1.128 1.453 -6.537 1.00 0.00 N ATOM 392 CA LYS A 25 0.711 2.883 -6.617 1.00 0.00 C ATOM 393 C LYS A 25 1.923 3.804 -6.438 1.00 0.00 C ATOM 394 O LYS A 25 1.947 4.867 -7.028 1.00 0.00 O ATOM 395 CB LYS A 25 -0.322 3.241 -5.494 1.00 0.00 C ATOM 396 CG LYS A 25 -1.612 2.379 -5.548 1.00 0.00 C ATOM 397 CD LYS A 25 -2.204 2.253 -6.974 1.00 0.00 C ATOM 398 CE LYS A 25 -3.490 1.419 -6.912 1.00 0.00 C ATOM 399 NZ LYS A 25 -3.234 0.106 -6.246 1.00 0.00 N ATOM 0 H LYS A 25 1.263 1.119 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 25 0.256 3.026 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.151 3.113 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.593 4.293 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.392 1.383 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.361 2.817 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.416 3.241 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.482 1.782 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.259 1.966 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.871 1.254 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.821 -0.629 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.230 -0.145 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.472 0.177 -5.236 1.00 0.00 H new ATOM 413 N HIS A 26 2.887 3.388 -5.646 1.00 0.00 N ATOM 414 CA HIS A 26 4.086 4.269 -5.441 1.00 0.00 C ATOM 415 C HIS A 26 5.376 3.810 -6.170 1.00 0.00 C ATOM 416 O HIS A 26 5.545 4.184 -7.316 1.00 0.00 O ATOM 417 CB HIS A 26 4.329 4.372 -3.897 1.00 0.00 C ATOM 418 CG HIS A 26 3.044 4.804 -3.152 1.00 0.00 C ATOM 419 ND1 HIS A 26 2.374 5.898 -3.376 1.00 0.00 N ATOM 420 CD2 HIS A 26 2.343 4.176 -2.126 1.00 0.00 C ATOM 421 CE1 HIS A 26 1.351 5.970 -2.582 1.00 0.00 C ATOM 422 NE2 HIS A 26 1.312 4.925 -1.804 1.00 0.00 N ATOM 0 H HIS A 26 2.898 2.500 -5.144 1.00 0.00 H new ATOM 0 HA HIS A 26 3.863 5.237 -5.890 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.667 3.409 -3.515 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.125 5.090 -3.699 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.619 6.598 -4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.603 3.232 -1.671 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.635 6.779 -2.568 1.00 0.00 H new ATOM 430 N SER A 27 6.215 3.025 -5.522 1.00 0.00 N ATOM 431 CA SER A 27 7.519 2.504 -6.088 1.00 0.00 C ATOM 432 C SER A 27 8.002 3.159 -7.411 1.00 0.00 C ATOM 433 O SER A 27 8.161 2.506 -8.427 1.00 0.00 O ATOM 434 CB SER A 27 7.349 0.958 -6.249 1.00 0.00 C ATOM 435 OG SER A 27 6.297 0.754 -7.187 1.00 0.00 O ATOM 0 H SER A 27 6.039 2.706 -4.569 1.00 0.00 H new ATOM 0 HA SER A 27 8.312 2.772 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.274 0.502 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.109 0.494 -5.292 1.00 0.00 H new ATOM 0 HG SER A 27 6.555 1.129 -8.055 1.00 0.00 H new ATOM 441 N LYS A 28 8.213 4.456 -7.329 1.00 0.00 N ATOM 442 CA LYS A 28 8.684 5.266 -8.502 1.00 0.00 C ATOM 443 C LYS A 28 9.830 6.225 -8.101 1.00 0.00 C ATOM 444 O LYS A 28 9.673 7.432 -8.077 1.00 0.00 O ATOM 445 CB LYS A 28 7.440 6.027 -9.056 1.00 0.00 C ATOM 446 CG LYS A 28 7.775 6.770 -10.379 1.00 0.00 C ATOM 447 CD LYS A 28 6.476 7.303 -11.044 1.00 0.00 C ATOM 448 CE LYS A 28 5.676 8.259 -10.127 1.00 0.00 C ATOM 449 NZ LYS A 28 6.462 9.488 -9.827 1.00 0.00 N ATOM 0 H LYS A 28 8.074 4.998 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 28 9.103 4.624 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.627 5.322 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.089 6.743 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.454 7.598 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.290 6.095 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.734 7.824 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.843 6.460 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.737 8.531 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.421 7.750 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.893 10.129 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.330 9.229 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.713 9.965 -10.716 1.00 0.00 H new ATOM 463 N GLU A 29 10.952 5.626 -7.785 1.00 0.00 N ATOM 464 CA GLU A 29 12.188 6.378 -7.376 1.00 0.00 C ATOM 465 C GLU A 29 13.361 5.947 -8.288 1.00 0.00 C ATOM 466 O GLU A 29 13.212 5.021 -9.064 1.00 0.00 O ATOM 467 CB GLU A 29 12.514 6.033 -5.913 1.00 0.00 C ATOM 468 CG GLU A 29 11.364 6.463 -4.958 1.00 0.00 C ATOM 469 CD GLU A 29 11.542 5.790 -3.586 1.00 0.00 C ATOM 470 OE1 GLU A 29 12.499 6.128 -2.911 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.696 4.964 -3.287 1.00 0.00 O ATOM 0 H GLU A 29 11.069 4.613 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 29 12.029 7.452 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.684 4.960 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.439 6.529 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.361 7.547 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.401 6.185 -5.387 1.00 0.00 H new ATOM 478 N LYS A 30 14.484 6.623 -8.176 1.00 0.00 N ATOM 479 CA LYS A 30 15.699 6.296 -9.005 1.00 0.00 C ATOM 480 C LYS A 30 16.913 6.055 -8.107 1.00 0.00 C ATOM 481 O LYS A 30 16.818 5.886 -6.907 1.00 0.00 O ATOM 482 CB LYS A 30 16.014 7.462 -9.969 1.00 0.00 C ATOM 483 CG LYS A 30 15.010 7.477 -11.155 1.00 0.00 C ATOM 484 CD LYS A 30 15.247 8.757 -11.992 1.00 0.00 C ATOM 485 CE LYS A 30 14.198 8.865 -13.105 1.00 0.00 C ATOM 486 NZ LYS A 30 14.330 10.184 -13.784 1.00 0.00 N ATOM 0 H LYS A 30 14.614 7.404 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 30 15.486 5.392 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.965 8.409 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.031 7.363 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.144 6.590 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.986 7.453 -10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.197 9.635 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.247 8.737 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.332 8.058 -13.825 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.197 8.757 -12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.619 10.258 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.182 10.947 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.282 10.269 -14.195 1.00 0.00 H new TER 500 LYS A 30 HETATM 501 ZN ZN A 31 -0.068 4.576 -0.401 1.00 0.00 ZN