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 Set 1.1: A 10 TYR OH : rot -139:sc= 0.116 USER MOD Set 1.2: A 12 SER OG : rot 83:sc= 0.105 USER MOD Set 2.1: A 1 LYS NZ :NH3+ -161:sc= -0.0343 (180deg=-0.397) USER MOD Set 2.2: A 3 TYR OH : rot -141:sc= 0.0569 USER MOD Set 2.3: A 15 SER OG : rot -44:sc= 0.861 USER MOD Single : A 1 LYS N :NH3+ 177:sc= 0 (180deg=-0.00944) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -2.83 X(o=-2.8,f=-3.1) USER MOD Single : A 6 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.5!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 86:sc= 0.582 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0216 (180deg=-0.126) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 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+ 166:sc= -0.0485 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.109 -6.537 12.505 1.00 0.00 N ATOM 2 CA LYS A 1 -6.089 -7.020 11.528 1.00 0.00 C ATOM 3 C LYS A 1 -6.030 -6.008 10.357 1.00 0.00 C ATOM 4 O LYS A 1 -6.115 -6.372 9.199 1.00 0.00 O ATOM 5 CB LYS A 1 -6.512 -8.446 11.037 1.00 0.00 C ATOM 6 CG LYS A 1 -5.444 -9.101 10.117 1.00 0.00 C ATOM 7 CD LYS A 1 -5.957 -10.504 9.698 1.00 0.00 C ATOM 8 CE LYS A 1 -5.071 -11.111 8.586 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.118 -10.270 7.347 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.204 -7.227 13.277 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.810 -5.620 12.895 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.025 -6.427 12.025 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.098 -7.092 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.685 -9.088 11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.457 -8.376 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.270 -8.482 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.492 -9.186 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.964 -11.166 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.986 -10.428 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.042 -11.190 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.409 -12.122 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.798 -10.833 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.093 -9.947 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.495 -9.445 7.464 1.00 0.00 H new ATOM 25 N THR A 2 -5.886 -4.746 10.696 1.00 0.00 N ATOM 26 CA THR A 2 -5.814 -3.664 9.657 1.00 0.00 C ATOM 27 C THR A 2 -4.454 -2.949 9.738 1.00 0.00 C ATOM 28 O THR A 2 -3.943 -2.721 10.818 1.00 0.00 O ATOM 29 CB THR A 2 -6.952 -2.639 9.894 1.00 0.00 C ATOM 30 OG1 THR A 2 -8.151 -3.403 9.846 1.00 0.00 O ATOM 31 CG2 THR A 2 -7.054 -1.663 8.708 1.00 0.00 C ATOM 0 H THR A 2 -5.815 -4.416 11.659 1.00 0.00 H new ATOM 0 HA THR A 2 -5.926 -4.111 8.669 1.00 0.00 H new ATOM 0 HB THR A 2 -6.783 -2.092 10.821 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.920 -2.814 9.991 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.858 -0.950 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.112 -1.126 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.264 -2.220 7.795 1.00 0.00 H new ATOM 39 N TYR A 3 -3.930 -2.630 8.579 1.00 0.00 N ATOM 40 CA TYR A 3 -2.612 -1.929 8.465 1.00 0.00 C ATOM 41 C TYR A 3 -2.851 -0.699 7.556 1.00 0.00 C ATOM 42 O TYR A 3 -3.808 -0.673 6.806 1.00 0.00 O ATOM 43 CB TYR A 3 -1.571 -2.876 7.814 1.00 0.00 C ATOM 44 CG TYR A 3 -1.801 -4.356 8.189 1.00 0.00 C ATOM 45 CD1 TYR A 3 -1.316 -4.929 9.355 1.00 0.00 C ATOM 46 CD2 TYR A 3 -2.521 -5.138 7.313 1.00 0.00 C ATOM 47 CE1 TYR A 3 -1.553 -6.270 9.624 1.00 0.00 C ATOM 48 CE2 TYR A 3 -2.753 -6.462 7.577 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.275 -7.039 8.729 1.00 0.00 C ATOM 50 OH TYR A 3 -2.528 -8.378 8.930 1.00 0.00 O ATOM 0 H TYR A 3 -4.374 -2.832 7.683 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.231 -1.631 9.442 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.615 -2.768 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -0.570 -2.578 8.124 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.753 -4.330 10.055 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.908 -4.701 6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.173 -6.713 10.533 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.316 -7.057 6.874 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.457 -8.856 8.077 1.00 0.00 H new ATOM 60 N GLN A 4 -1.968 0.265 7.641 1.00 0.00 N ATOM 61 CA GLN A 4 -2.055 1.533 6.838 1.00 0.00 C ATOM 62 C GLN A 4 -0.788 1.765 5.969 1.00 0.00 C ATOM 63 O GLN A 4 0.256 1.192 6.224 1.00 0.00 O ATOM 64 CB GLN A 4 -2.299 2.647 7.900 1.00 0.00 C ATOM 65 CG GLN A 4 -2.078 4.094 7.413 1.00 0.00 C ATOM 66 CD GLN A 4 -3.046 4.526 6.301 1.00 0.00 C ATOM 67 OE1 GLN A 4 -4.247 4.383 6.402 1.00 0.00 O ATOM 68 NE2 GLN A 4 -2.548 5.078 5.232 1.00 0.00 N ATOM 0 H GLN A 4 -1.157 0.226 8.258 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.859 1.510 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.322 2.558 8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.641 2.464 8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.184 4.773 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.055 4.194 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.539 5.200 5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.167 5.389 4.483 1.00 0.00 H new ATOM 77 N CYS A 5 -0.926 2.607 4.969 1.00 0.00 N ATOM 78 CA CYS A 5 0.202 2.952 4.035 1.00 0.00 C ATOM 79 C CYS A 5 0.967 4.151 4.614 1.00 0.00 C ATOM 80 O CYS A 5 0.385 4.965 5.302 1.00 0.00 O ATOM 81 CB CYS A 5 -0.371 3.323 2.653 1.00 0.00 C ATOM 82 SG CYS A 5 0.697 4.248 1.526 1.00 0.00 S ATOM 0 H CYS A 5 -1.801 3.085 4.754 1.00 0.00 H new ATOM 0 HA CYS A 5 0.873 2.100 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.668 2.401 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.278 3.906 2.811 1.00 0.00 H new ATOM 87 N GLN A 6 2.239 4.235 4.305 1.00 0.00 N ATOM 88 CA GLN A 6 3.085 5.363 4.817 1.00 0.00 C ATOM 89 C GLN A 6 3.640 6.287 3.724 1.00 0.00 C ATOM 90 O GLN A 6 4.627 6.972 3.920 1.00 0.00 O ATOM 91 CB GLN A 6 4.230 4.718 5.662 1.00 0.00 C ATOM 92 CG GLN A 6 4.978 3.570 4.927 1.00 0.00 C ATOM 93 CD GLN A 6 6.066 4.074 3.968 1.00 0.00 C ATOM 94 OE1 GLN A 6 5.828 4.742 2.983 1.00 0.00 O ATOM 95 NE2 GLN A 6 7.300 3.752 4.241 1.00 0.00 N ATOM 0 H GLN A 6 2.733 3.565 3.715 1.00 0.00 H new ATOM 0 HA GLN A 6 2.462 6.024 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.948 5.491 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.810 4.331 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.432 2.909 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.257 2.975 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.510 3.191 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.055 4.061 3.629 1.00 0.00 H new ATOM 104 N TYR A 7 2.964 6.287 2.604 1.00 0.00 N ATOM 105 CA TYR A 7 3.369 7.137 1.438 1.00 0.00 C ATOM 106 C TYR A 7 2.290 8.198 1.289 1.00 0.00 C ATOM 107 O TYR A 7 2.532 9.386 1.376 1.00 0.00 O ATOM 108 CB TYR A 7 3.397 6.326 0.156 1.00 0.00 C ATOM 109 CG TYR A 7 4.517 5.309 0.159 1.00 0.00 C ATOM 110 CD1 TYR A 7 5.820 5.716 -0.010 1.00 0.00 C ATOM 111 CD2 TYR A 7 4.236 3.974 0.325 1.00 0.00 C ATOM 112 CE1 TYR A 7 6.840 4.789 -0.013 1.00 0.00 C ATOM 113 CE2 TYR A 7 5.248 3.052 0.323 1.00 0.00 C ATOM 114 CZ TYR A 7 6.555 3.452 0.153 1.00 0.00 C ATOM 115 OH TYR A 7 7.572 2.522 0.148 1.00 0.00 O ATOM 0 H TYR A 7 2.130 5.722 2.443 1.00 0.00 H new ATOM 0 HA TYR A 7 4.362 7.554 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.443 5.815 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.517 6.996 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.044 6.764 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.214 3.651 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.862 5.111 -0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.020 2.005 0.456 1.00 0.00 H new ATOM 0 HH TYR A 7 7.197 1.626 0.279 1.00 0.00 H new ATOM 125 N CYS A 8 1.119 7.668 1.069 1.00 0.00 N ATOM 126 CA CYS A 8 -0.114 8.472 0.885 1.00 0.00 C ATOM 127 C CYS A 8 -1.025 8.089 2.066 1.00 0.00 C ATOM 128 O CYS A 8 -0.533 7.873 3.157 1.00 0.00 O ATOM 129 CB CYS A 8 -0.709 8.084 -0.466 1.00 0.00 C ATOM 130 SG CYS A 8 -1.633 6.536 -0.545 1.00 0.00 S ATOM 0 H CYS A 8 0.965 6.662 1.007 1.00 0.00 H new ATOM 0 HA CYS A 8 0.041 9.551 0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.370 8.889 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.104 8.030 -1.190 1.00 0.00 H new ATOM 135 N GLU A 9 -2.312 8.016 1.831 1.00 0.00 N ATOM 136 CA GLU A 9 -3.259 7.653 2.935 1.00 0.00 C ATOM 137 C GLU A 9 -4.306 6.576 2.576 1.00 0.00 C ATOM 138 O GLU A 9 -5.493 6.843 2.523 1.00 0.00 O ATOM 139 CB GLU A 9 -3.915 8.986 3.370 1.00 0.00 C ATOM 140 CG GLU A 9 -4.815 8.818 4.628 1.00 0.00 C ATOM 141 CD GLU A 9 -3.989 8.321 5.833 1.00 0.00 C ATOM 142 OE1 GLU A 9 -3.072 9.038 6.214 1.00 0.00 O ATOM 143 OE2 GLU A 9 -4.323 7.248 6.306 1.00 0.00 O ATOM 0 H GLU A 9 -2.748 8.191 0.926 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.706 7.176 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.137 9.720 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.513 9.379 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.286 9.770 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.617 8.111 4.415 1.00 0.00 H new ATOM 150 N TYR A 10 -3.831 5.383 2.326 1.00 0.00 N ATOM 151 CA TYR A 10 -4.730 4.236 1.980 1.00 0.00 C ATOM 152 C TYR A 10 -4.558 3.138 3.053 1.00 0.00 C ATOM 153 O TYR A 10 -3.503 3.036 3.650 1.00 0.00 O ATOM 154 CB TYR A 10 -4.310 3.735 0.606 1.00 0.00 C ATOM 155 CG TYR A 10 -5.057 2.447 0.239 1.00 0.00 C ATOM 156 CD1 TYR A 10 -6.366 2.471 -0.197 1.00 0.00 C ATOM 157 CD2 TYR A 10 -4.403 1.237 0.361 1.00 0.00 C ATOM 158 CE1 TYR A 10 -7.015 1.290 -0.502 1.00 0.00 C ATOM 159 CE2 TYR A 10 -5.048 0.063 0.057 1.00 0.00 C ATOM 160 CZ TYR A 10 -6.354 0.081 -0.376 1.00 0.00 C ATOM 161 OH TYR A 10 -6.973 -1.118 -0.652 1.00 0.00 O ATOM 0 H TYR A 10 -2.838 5.149 2.347 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.780 4.528 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.511 4.502 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.235 3.552 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.883 3.413 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.377 1.214 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.041 1.311 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.528 -0.878 0.158 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.718 -1.781 0.023 1.00 0.00 H new ATOM 171 N ARG A 11 -5.594 2.360 3.275 1.00 0.00 N ATOM 172 CA ARG A 11 -5.502 1.262 4.296 1.00 0.00 C ATOM 173 C ARG A 11 -6.175 -0.008 3.809 1.00 0.00 C ATOM 174 O ARG A 11 -7.000 0.018 2.915 1.00 0.00 O ATOM 175 CB ARG A 11 -6.166 1.684 5.635 1.00 0.00 C ATOM 176 CG ARG A 11 -7.645 2.110 5.475 1.00 0.00 C ATOM 177 CD ARG A 11 -8.222 2.460 6.865 1.00 0.00 C ATOM 178 NE ARG A 11 -7.299 3.438 7.521 1.00 0.00 N ATOM 179 CZ ARG A 11 -7.690 4.651 7.809 1.00 0.00 C ATOM 180 NH1 ARG A 11 -8.829 4.846 8.422 1.00 0.00 N ATOM 181 NH2 ARG A 11 -6.911 5.639 7.458 1.00 0.00 N ATOM 0 H ARG A 11 -6.492 2.436 2.798 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.440 1.073 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.108 0.854 6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.602 2.510 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.719 2.970 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.222 1.304 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.220 2.887 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.319 1.561 7.474 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.346 3.152 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.414 4.050 8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.132 5.794 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.032 5.449 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.182 6.600 7.665 1.00 0.00 H new ATOM 195 N SER A 12 -5.785 -1.086 4.436 1.00 0.00 N ATOM 196 CA SER A 12 -6.350 -2.421 4.084 1.00 0.00 C ATOM 197 C SER A 12 -6.388 -3.342 5.309 1.00 0.00 C ATOM 198 O SER A 12 -5.586 -3.201 6.213 1.00 0.00 O ATOM 199 CB SER A 12 -5.489 -3.078 2.995 1.00 0.00 C ATOM 200 OG SER A 12 -5.561 -2.232 1.853 1.00 0.00 O ATOM 0 H SER A 12 -5.092 -1.098 5.184 1.00 0.00 H new ATOM 0 HA SER A 12 -7.367 -2.272 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.458 -3.188 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.857 -4.077 2.761 1.00 0.00 H new ATOM 0 HG SER A 12 -4.913 -1.503 1.945 1.00 0.00 H new ATOM 206 N ALA A 13 -7.330 -4.253 5.280 1.00 0.00 N ATOM 207 CA ALA A 13 -7.514 -5.241 6.390 1.00 0.00 C ATOM 208 C ALA A 13 -7.462 -6.627 5.735 1.00 0.00 C ATOM 209 O ALA A 13 -8.233 -7.522 6.027 1.00 0.00 O ATOM 210 CB ALA A 13 -8.871 -4.983 7.058 1.00 0.00 C ATOM 0 H ALA A 13 -7.996 -4.355 4.514 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.748 -5.161 7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.019 -5.696 7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.893 -3.969 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.667 -5.100 6.322 1.00 0.00 H new ATOM 216 N ASP A 14 -6.510 -6.724 4.847 1.00 0.00 N ATOM 217 CA ASP A 14 -6.263 -7.965 4.067 1.00 0.00 C ATOM 218 C ASP A 14 -4.789 -8.380 4.181 1.00 0.00 C ATOM 219 O ASP A 14 -4.511 -9.499 4.564 1.00 0.00 O ATOM 220 CB ASP A 14 -6.666 -7.665 2.621 1.00 0.00 C ATOM 221 CG ASP A 14 -6.338 -8.872 1.740 1.00 0.00 C ATOM 222 OD1 ASP A 14 -5.216 -8.870 1.266 1.00 0.00 O ATOM 223 OD2 ASP A 14 -7.204 -9.715 1.602 1.00 0.00 O ATOM 0 H ASP A 14 -5.870 -5.962 4.624 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.847 -8.803 4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.731 -7.441 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.137 -6.783 2.260 1.00 0.00 H new ATOM 228 N SER A 15 -3.944 -7.437 3.825 1.00 0.00 N ATOM 229 CA SER A 15 -2.437 -7.509 3.819 1.00 0.00 C ATOM 230 C SER A 15 -1.959 -7.418 2.378 1.00 0.00 C ATOM 231 O SER A 15 -1.194 -6.538 2.038 1.00 0.00 O ATOM 232 CB SER A 15 -1.877 -8.860 4.440 1.00 0.00 C ATOM 233 OG SER A 15 -2.283 -8.849 5.806 1.00 0.00 O ATOM 0 H SER A 15 -4.278 -6.528 3.506 1.00 0.00 H new ATOM 0 HA SER A 15 -2.069 -6.686 4.431 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.280 -9.728 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.792 -8.911 4.354 1.00 0.00 H new ATOM 0 HG SER A 15 -2.125 -7.960 6.187 1.00 0.00 H new ATOM 239 N SER A 16 -2.421 -8.318 1.552 1.00 0.00 N ATOM 240 CA SER A 16 -1.996 -8.292 0.122 1.00 0.00 C ATOM 241 C SER A 16 -2.481 -6.977 -0.498 1.00 0.00 C ATOM 242 O SER A 16 -1.759 -6.359 -1.255 1.00 0.00 O ATOM 243 CB SER A 16 -2.608 -9.499 -0.578 1.00 0.00 C ATOM 244 OG SER A 16 -2.142 -10.580 0.219 1.00 0.00 O ATOM 0 H SER A 16 -3.069 -9.065 1.802 1.00 0.00 H new ATOM 0 HA SER A 16 -0.912 -8.344 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.697 -9.449 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.273 -9.582 -1.612 1.00 0.00 H new ATOM 0 HG SER A 16 -2.482 -11.424 -0.144 1.00 0.00 H new ATOM 250 N ASN A 17 -3.693 -6.603 -0.163 1.00 0.00 N ATOM 251 CA ASN A 17 -4.285 -5.330 -0.690 1.00 0.00 C ATOM 252 C ASN A 17 -3.310 -4.163 -0.470 1.00 0.00 C ATOM 253 O ASN A 17 -3.202 -3.307 -1.327 1.00 0.00 O ATOM 254 CB ASN A 17 -5.601 -5.014 0.037 1.00 0.00 C ATOM 255 CG ASN A 17 -6.689 -6.071 -0.207 1.00 0.00 C ATOM 256 OD1 ASN A 17 -6.512 -7.047 -0.909 1.00 0.00 O ATOM 257 ND2 ASN A 17 -7.839 -5.890 0.377 1.00 0.00 N ATOM 0 H ASN A 17 -4.305 -7.131 0.460 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.475 -5.458 -1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.409 -4.938 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.967 -4.041 -0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.590 -6.567 0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.988 -5.071 0.966 1.00 0.00 H new ATOM 264 N LEU A 18 -2.612 -4.149 0.647 1.00 0.00 N ATOM 265 CA LEU A 18 -1.663 -3.017 0.878 1.00 0.00 C ATOM 266 C LEU A 18 -0.307 -3.279 0.213 1.00 0.00 C ATOM 267 O LEU A 18 0.209 -2.381 -0.420 1.00 0.00 O ATOM 268 CB LEU A 18 -1.520 -2.822 2.408 1.00 0.00 C ATOM 269 CG LEU A 18 -0.594 -1.612 2.749 1.00 0.00 C ATOM 270 CD1 LEU A 18 -1.122 -0.310 2.122 1.00 0.00 C ATOM 271 CD2 LEU A 18 -0.632 -1.407 4.270 1.00 0.00 C ATOM 0 H LEU A 18 -2.658 -4.851 1.385 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.052 -2.105 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.504 -2.663 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.113 -3.729 2.855 1.00 0.00 H new ATOM 0 HG LEU A 18 0.405 -1.825 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.455 0.514 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.165 -0.419 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.121 -0.101 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.007 -0.566 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.655 -1.200 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.275 -2.309 4.768 1.00 0.00 H new ATOM 283 N LYS A 19 0.246 -4.461 0.363 1.00 0.00 N ATOM 284 CA LYS A 19 1.571 -4.762 -0.284 1.00 0.00 C ATOM 285 C LYS A 19 1.514 -4.317 -1.755 1.00 0.00 C ATOM 286 O LYS A 19 2.424 -3.678 -2.244 1.00 0.00 O ATOM 287 CB LYS A 19 1.867 -6.268 -0.237 1.00 0.00 C ATOM 288 CG LYS A 19 1.951 -6.779 1.226 1.00 0.00 C ATOM 289 CD LYS A 19 2.091 -8.332 1.245 1.00 0.00 C ATOM 290 CE LYS A 19 1.896 -8.883 2.673 1.00 0.00 C ATOM 291 NZ LYS A 19 2.208 -10.335 2.698 1.00 0.00 N ATOM 0 H LYS A 19 -0.158 -5.228 0.901 1.00 0.00 H new ATOM 0 HA LYS A 19 2.356 -4.230 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.087 -6.811 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.806 -6.473 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.803 -6.323 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.058 -6.480 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.354 -8.776 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.074 -8.617 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.543 -8.350 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.870 -8.716 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.075 -10.702 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.573 -10.838 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.194 -10.483 2.404 1.00 0.00 H new ATOM 305 N THR A 20 0.437 -4.663 -2.423 1.00 0.00 N ATOM 306 CA THR A 20 0.268 -4.277 -3.860 1.00 0.00 C ATOM 307 C THR A 20 0.330 -2.753 -3.916 1.00 0.00 C ATOM 308 O THR A 20 1.260 -2.220 -4.482 1.00 0.00 O ATOM 309 CB THR A 20 -1.111 -4.761 -4.380 1.00 0.00 C ATOM 310 OG1 THR A 20 -1.124 -6.156 -4.122 1.00 0.00 O ATOM 311 CG2 THR A 20 -1.239 -4.641 -5.914 1.00 0.00 C ATOM 0 H THR A 20 -0.336 -5.200 -2.030 1.00 0.00 H new ATOM 0 HA THR A 20 1.043 -4.729 -4.479 1.00 0.00 H new ATOM 0 HB THR A 20 -1.899 -4.174 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.437 -6.317 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.222 -4.993 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.116 -3.599 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.469 -5.247 -6.392 1.00 0.00 H new ATOM 319 N HIS A 21 -0.664 -2.122 -3.326 1.00 0.00 N ATOM 320 CA HIS A 21 -0.762 -0.626 -3.277 1.00 0.00 C ATOM 321 C HIS A 21 0.653 0.022 -3.214 1.00 0.00 C ATOM 322 O HIS A 21 1.006 0.855 -4.025 1.00 0.00 O ATOM 323 CB HIS A 21 -1.661 -0.326 -2.037 1.00 0.00 C ATOM 324 CG HIS A 21 -1.747 1.163 -1.765 1.00 0.00 C ATOM 325 ND1 HIS A 21 -2.704 1.970 -2.118 1.00 0.00 N ATOM 326 CD2 HIS A 21 -0.835 1.957 -1.110 1.00 0.00 C ATOM 327 CE1 HIS A 21 -2.424 3.179 -1.724 1.00 0.00 C ATOM 328 NE2 HIS A 21 -1.278 3.182 -1.110 1.00 0.00 N ATOM 0 H HIS A 21 -1.436 -2.601 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.206 -0.192 -4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.661 -0.725 -2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.258 -0.835 -1.161 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -3.545 1.697 -2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.092 1.621 -0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.048 4.046 -1.883 1.00 0.00 H new ATOM 336 N ILE A 22 1.419 -0.414 -2.249 1.00 0.00 N ATOM 337 CA ILE A 22 2.813 0.079 -2.027 1.00 0.00 C ATOM 338 C ILE A 22 3.778 -0.230 -3.197 1.00 0.00 C ATOM 339 O ILE A 22 4.486 0.655 -3.625 1.00 0.00 O ATOM 340 CB ILE A 22 3.326 -0.550 -0.682 1.00 0.00 C ATOM 341 CG1 ILE A 22 2.653 0.209 0.510 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.889 -0.578 -0.598 1.00 0.00 C ATOM 343 CD1 ILE A 22 3.171 -0.275 1.878 1.00 0.00 C ATOM 0 H ILE A 22 1.122 -1.122 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 22 2.792 1.167 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 22 3.034 -1.599 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.841 1.278 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.573 0.070 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.195 -1.022 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.287 -1.171 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.275 0.439 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.674 0.282 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.959 -1.338 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.247 -0.111 1.938 1.00 0.00 H new ATOM 355 N LYS A 23 3.798 -1.441 -3.694 1.00 0.00 N ATOM 356 CA LYS A 23 4.720 -1.808 -4.825 1.00 0.00 C ATOM 357 C LYS A 23 4.195 -1.414 -6.225 1.00 0.00 C ATOM 358 O LYS A 23 4.924 -1.485 -7.197 1.00 0.00 O ATOM 359 CB LYS A 23 4.938 -3.356 -4.718 1.00 0.00 C ATOM 360 CG LYS A 23 5.777 -3.946 -5.884 1.00 0.00 C ATOM 361 CD LYS A 23 5.857 -5.503 -5.799 1.00 0.00 C ATOM 362 CE LYS A 23 4.438 -6.175 -5.831 1.00 0.00 C ATOM 363 NZ LYS A 23 3.617 -5.662 -6.963 1.00 0.00 N ATOM 0 H LYS A 23 3.209 -2.205 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 23 5.650 -1.248 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.434 -3.580 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.967 -3.851 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.334 -3.655 -6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.783 -3.527 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.454 -5.880 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.371 -5.789 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.548 -7.256 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.922 -5.984 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.742 -6.219 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.378 -4.664 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.157 -5.744 -7.848 1.00 0.00 H new ATOM 377 N THR A 24 2.959 -0.999 -6.272 1.00 0.00 N ATOM 378 CA THR A 24 2.310 -0.605 -7.555 1.00 0.00 C ATOM 379 C THR A 24 2.014 0.883 -7.782 1.00 0.00 C ATOM 380 O THR A 24 2.014 1.331 -8.913 1.00 0.00 O ATOM 381 CB THR A 24 1.051 -1.509 -7.596 1.00 0.00 C ATOM 382 OG1 THR A 24 1.550 -2.847 -7.589 1.00 0.00 O ATOM 383 CG2 THR A 24 0.248 -1.424 -8.891 1.00 0.00 C ATOM 0 H THR A 24 2.357 -0.915 -5.453 1.00 0.00 H new ATOM 0 HA THR A 24 3.000 -0.754 -8.386 1.00 0.00 H new ATOM 0 HB THR A 24 0.408 -1.207 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.799 -3.476 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.613 -2.089 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.094 -0.400 -9.040 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.877 -1.722 -9.730 1.00 0.00 H new ATOM 391 N LYS A 25 1.770 1.608 -6.729 1.00 0.00 N ATOM 392 CA LYS A 25 1.468 3.073 -6.855 1.00 0.00 C ATOM 393 C LYS A 25 2.582 3.946 -6.292 1.00 0.00 C ATOM 394 O LYS A 25 2.613 5.127 -6.587 1.00 0.00 O ATOM 395 CB LYS A 25 0.167 3.405 -6.097 1.00 0.00 C ATOM 396 CG LYS A 25 -1.018 2.583 -6.672 1.00 0.00 C ATOM 397 CD LYS A 25 -1.283 2.973 -8.149 1.00 0.00 C ATOM 398 CE LYS A 25 -2.535 2.235 -8.671 1.00 0.00 C ATOM 399 NZ LYS A 25 -2.851 2.718 -10.038 1.00 0.00 N ATOM 0 H LYS A 25 1.765 1.251 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 25 1.368 3.284 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.290 3.185 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.047 4.471 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.796 1.518 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.914 2.760 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.425 4.051 -8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.418 2.719 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.359 1.159 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.380 2.412 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.694 2.224 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.035 3.741 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.046 2.528 -10.668 1.00 0.00 H new ATOM 413 N HIS A 26 3.456 3.362 -5.512 1.00 0.00 N ATOM 414 CA HIS A 26 4.570 4.164 -4.929 1.00 0.00 C ATOM 415 C HIS A 26 5.901 3.659 -5.467 1.00 0.00 C ATOM 416 O HIS A 26 6.602 4.377 -6.152 1.00 0.00 O ATOM 417 CB HIS A 26 4.479 4.019 -3.416 1.00 0.00 C ATOM 418 CG HIS A 26 3.145 4.600 -2.911 1.00 0.00 C ATOM 419 ND1 HIS A 26 2.641 5.752 -3.231 1.00 0.00 N ATOM 420 CD2 HIS A 26 2.231 4.063 -2.021 1.00 0.00 C ATOM 421 CE1 HIS A 26 1.515 5.945 -2.609 1.00 0.00 C ATOM 422 NE2 HIS A 26 1.245 4.915 -1.851 1.00 0.00 N ATOM 0 H HIS A 26 3.446 2.375 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 26 4.496 5.217 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.556 2.968 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.313 4.536 -2.942 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.068 6.414 -3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.315 3.098 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.896 6.825 -2.705 1.00 0.00 H new ATOM 430 N SER A 27 6.196 2.428 -5.139 1.00 0.00 N ATOM 431 CA SER A 27 7.455 1.734 -5.565 1.00 0.00 C ATOM 432 C SER A 27 8.681 2.674 -5.471 1.00 0.00 C ATOM 433 O SER A 27 9.317 2.971 -6.464 1.00 0.00 O ATOM 434 CB SER A 27 7.190 1.242 -7.012 1.00 0.00 C ATOM 435 OG SER A 27 8.136 0.211 -7.237 1.00 0.00 O ATOM 0 H SER A 27 5.586 1.846 -4.565 1.00 0.00 H new ATOM 0 HA SER A 27 7.698 0.896 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.171 0.871 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.313 2.052 -7.731 1.00 0.00 H new ATOM 0 HG SER A 27 8.020 -0.147 -8.142 1.00 0.00 H new ATOM 441 N LYS A 28 8.969 3.109 -4.266 1.00 0.00 N ATOM 442 CA LYS A 28 10.128 4.033 -4.030 1.00 0.00 C ATOM 443 C LYS A 28 11.247 3.454 -3.146 1.00 0.00 C ATOM 444 O LYS A 28 11.008 2.941 -2.069 1.00 0.00 O ATOM 445 CB LYS A 28 9.649 5.340 -3.340 1.00 0.00 C ATOM 446 CG LYS A 28 8.492 6.057 -4.075 1.00 0.00 C ATOM 447 CD LYS A 28 8.883 6.409 -5.520 1.00 0.00 C ATOM 448 CE LYS A 28 7.786 7.310 -6.118 1.00 0.00 C ATOM 449 NZ LYS A 28 8.076 7.605 -7.547 1.00 0.00 N ATOM 0 H LYS A 28 8.445 2.861 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 28 10.537 4.207 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.330 5.106 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.493 6.025 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.609 5.417 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.224 6.966 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.845 6.921 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.994 5.502 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.817 6.819 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.724 8.241 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.327 8.213 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.992 8.093 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.113 6.715 -8.085 1.00 0.00 H new ATOM 463 N GLU A 29 12.439 3.572 -3.668 1.00 0.00 N ATOM 464 CA GLU A 29 13.691 3.103 -2.998 1.00 0.00 C ATOM 465 C GLU A 29 14.675 4.291 -3.094 1.00 0.00 C ATOM 466 O GLU A 29 15.318 4.652 -2.126 1.00 0.00 O ATOM 467 CB GLU A 29 14.238 1.833 -3.725 1.00 0.00 C ATOM 468 CG GLU A 29 14.150 1.924 -5.267 1.00 0.00 C ATOM 469 CD GLU A 29 14.880 0.713 -5.884 1.00 0.00 C ATOM 470 OE1 GLU A 29 14.526 -0.396 -5.524 1.00 0.00 O ATOM 471 OE2 GLU A 29 15.759 0.973 -6.694 1.00 0.00 O ATOM 0 H GLU A 29 12.603 3.997 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 29 13.532 2.816 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.277 1.677 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.679 0.960 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.107 1.937 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.601 2.853 -5.616 1.00 0.00 H new ATOM 478 N LYS A 30 14.760 4.861 -4.273 1.00 0.00 N ATOM 479 CA LYS A 30 15.656 6.029 -4.551 1.00 0.00 C ATOM 480 C LYS A 30 14.771 7.133 -5.171 1.00 0.00 C ATOM 481 O LYS A 30 14.987 8.318 -5.011 1.00 0.00 O ATOM 482 CB LYS A 30 16.767 5.619 -5.552 1.00 0.00 C ATOM 483 CG LYS A 30 17.817 6.752 -5.701 1.00 0.00 C ATOM 484 CD LYS A 30 18.684 6.912 -4.420 1.00 0.00 C ATOM 485 CE LYS A 30 19.520 5.642 -4.110 1.00 0.00 C ATOM 486 NZ LYS A 30 20.357 5.286 -5.288 1.00 0.00 N ATOM 0 H LYS A 30 14.224 4.552 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 30 16.138 6.378 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.255 4.707 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.324 5.397 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.463 6.538 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.309 7.692 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.353 7.764 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.037 7.134 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.155 5.817 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.858 4.813 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.079 4.593 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.755 4.875 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.823 6.141 -5.654 1.00 0.00 H new TER 500 LYS A 30 HETATM 501 ZN ZN A 31 -0.228 4.729 -0.522 1.00 0.00 ZN