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 15 SER OG : rot 175:sc= 0.327 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -141:sc= 0.292 (180deg=-0.292) USER MOD Set 2.1: A 10 TYR OH : rot 165:sc= 0.096 USER MOD Set 2.2: A 12 SER OG : rot -93:sc= -0.162 USER MOD Set 3.1: A 1 LYS N :NH3+ -164:sc= 0.211 (180deg=-0.801) USER MOD Set 3.2: A 3 TYR OH : rot 180:sc= 0.451 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 : amide:sc= 0.681 K(o=0.68,f=-0.57) USER MOD Single : A 6 GLN : amide:sc=-0.00937 K(o=-0.0094,f=-1.7) USER MOD Single : A 7 TYR OH : rot 180:sc=-0.000507 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.615 F(o=-3.9!,f=-0.61) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 88:sc= 0.392 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0428 (180deg=-0.388) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.411 -8.145 9.788 1.00 0.00 N ATOM 2 CA LYS A 1 -6.367 -7.005 10.753 1.00 0.00 C ATOM 3 C LYS A 1 -6.248 -5.688 9.965 1.00 0.00 C ATOM 4 O LYS A 1 -6.250 -5.730 8.754 1.00 0.00 O ATOM 5 CB LYS A 1 -5.159 -7.188 11.735 1.00 0.00 C ATOM 6 CG LYS A 1 -5.405 -8.452 12.638 1.00 0.00 C ATOM 7 CD LYS A 1 -4.732 -9.741 12.080 1.00 0.00 C ATOM 8 CE LYS A 1 -3.207 -9.711 12.307 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.885 -10.075 13.721 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.758 -8.997 10.273 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.050 -7.910 9.002 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.456 -8.323 9.417 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.281 -6.978 11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.233 -7.305 11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.044 -6.300 12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.024 -8.255 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.478 -8.621 12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.158 -10.618 12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.943 -9.834 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.717 -10.406 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.819 -8.718 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.855 -10.051 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.337 -9.396 14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.239 -11.032 13.922 1.00 0.00 H new ATOM 25 N THR A 2 -6.142 -4.552 10.615 1.00 0.00 N ATOM 26 CA THR A 2 -6.033 -3.272 9.825 1.00 0.00 C ATOM 27 C THR A 2 -4.582 -2.795 9.713 1.00 0.00 C ATOM 28 O THR A 2 -3.802 -2.925 10.636 1.00 0.00 O ATOM 29 CB THR A 2 -6.855 -2.182 10.515 1.00 0.00 C ATOM 30 OG1 THR A 2 -8.125 -2.777 10.737 1.00 0.00 O ATOM 31 CG2 THR A 2 -7.150 -1.008 9.546 1.00 0.00 C ATOM 0 H THR A 2 -6.126 -4.450 11.630 1.00 0.00 H new ATOM 0 HA THR A 2 -6.409 -3.467 8.821 1.00 0.00 H new ATOM 0 HB THR A 2 -6.329 -1.822 11.399 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.714 -2.133 11.183 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.736 -0.248 10.063 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.211 -0.573 9.205 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.711 -1.377 8.688 1.00 0.00 H new ATOM 39 N TYR A 3 -4.292 -2.254 8.553 1.00 0.00 N ATOM 40 CA TYR A 3 -2.919 -1.725 8.244 1.00 0.00 C ATOM 41 C TYR A 3 -3.012 -0.333 7.566 1.00 0.00 C ATOM 42 O TYR A 3 -4.034 -0.023 6.990 1.00 0.00 O ATOM 43 CB TYR A 3 -2.236 -2.729 7.307 1.00 0.00 C ATOM 44 CG TYR A 3 -2.570 -4.180 7.716 1.00 0.00 C ATOM 45 CD1 TYR A 3 -2.068 -4.761 8.866 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.409 -4.929 6.911 1.00 0.00 C ATOM 47 CE1 TYR A 3 -2.404 -6.065 9.199 1.00 0.00 C ATOM 48 CE2 TYR A 3 -3.741 -6.228 7.245 1.00 0.00 C ATOM 49 CZ TYR A 3 -3.244 -6.807 8.388 1.00 0.00 C ATOM 50 OH TYR A 3 -3.587 -8.110 8.697 1.00 0.00 O ATOM 0 H TYR A 3 -4.962 -2.154 7.790 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.344 -1.606 9.162 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.559 -2.553 6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.157 -2.579 7.332 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.410 -4.196 9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.810 -4.492 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.006 -6.506 10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.398 -6.794 6.601 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.187 -8.463 8.007 1.00 0.00 H new ATOM 60 N GLN A 4 -1.958 0.450 7.640 1.00 0.00 N ATOM 61 CA GLN A 4 -1.919 1.828 7.023 1.00 0.00 C ATOM 62 C GLN A 4 -0.784 1.897 5.985 1.00 0.00 C ATOM 63 O GLN A 4 0.167 1.142 6.063 1.00 0.00 O ATOM 64 CB GLN A 4 -1.732 2.846 8.219 1.00 0.00 C ATOM 65 CG GLN A 4 -1.072 4.225 7.890 1.00 0.00 C ATOM 66 CD GLN A 4 -2.059 5.289 7.374 1.00 0.00 C ATOM 67 OE1 GLN A 4 -3.120 5.514 7.924 1.00 0.00 O ATOM 68 NE2 GLN A 4 -1.725 5.972 6.315 1.00 0.00 N ATOM 0 H GLN A 4 -1.095 0.186 8.116 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.833 2.075 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.712 3.037 8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.130 2.358 8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.582 4.604 8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.294 4.074 7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.837 5.788 5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.352 6.690 5.953 1.00 0.00 H new ATOM 77 N CYS A 5 -0.916 2.809 5.047 1.00 0.00 N ATOM 78 CA CYS A 5 0.137 2.959 3.988 1.00 0.00 C ATOM 79 C CYS A 5 1.139 4.002 4.488 1.00 0.00 C ATOM 80 O CYS A 5 0.743 4.980 5.088 1.00 0.00 O ATOM 81 CB CYS A 5 -0.545 3.414 2.686 1.00 0.00 C ATOM 82 SG CYS A 5 0.504 4.164 1.425 1.00 0.00 S ATOM 0 H CYS A 5 -1.703 3.453 4.969 1.00 0.00 H new ATOM 0 HA CYS A 5 0.660 2.023 3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.039 2.549 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.325 4.129 2.945 1.00 0.00 H new ATOM 87 N GLN A 6 2.394 3.752 4.204 1.00 0.00 N ATOM 88 CA GLN A 6 3.508 4.658 4.634 1.00 0.00 C ATOM 89 C GLN A 6 3.921 5.561 3.456 1.00 0.00 C ATOM 90 O GLN A 6 5.096 5.744 3.209 1.00 0.00 O ATOM 91 CB GLN A 6 4.692 3.736 5.084 1.00 0.00 C ATOM 92 CG GLN A 6 4.240 2.570 6.020 1.00 0.00 C ATOM 93 CD GLN A 6 3.744 3.087 7.381 1.00 0.00 C ATOM 94 OE1 GLN A 6 2.777 3.812 7.482 1.00 0.00 O ATOM 95 NE2 GLN A 6 4.391 2.735 8.461 1.00 0.00 N ATOM 0 H GLN A 6 2.702 2.935 3.677 1.00 0.00 H new ATOM 0 HA GLN A 6 3.207 5.309 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.175 3.318 4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.439 4.340 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.445 2.003 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.073 1.884 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.206 2.126 8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.081 3.070 9.373 1.00 0.00 H new ATOM 104 N TYR A 7 2.945 6.099 2.762 1.00 0.00 N ATOM 105 CA TYR A 7 3.240 6.989 1.589 1.00 0.00 C ATOM 106 C TYR A 7 2.198 8.093 1.393 1.00 0.00 C ATOM 107 O TYR A 7 2.490 9.270 1.468 1.00 0.00 O ATOM 108 CB TYR A 7 3.290 6.118 0.337 1.00 0.00 C ATOM 109 CG TYR A 7 4.356 5.025 0.504 1.00 0.00 C ATOM 110 CD1 TYR A 7 5.679 5.281 0.210 1.00 0.00 C ATOM 111 CD2 TYR A 7 4.000 3.772 0.968 1.00 0.00 C ATOM 112 CE1 TYR A 7 6.629 4.294 0.378 1.00 0.00 C ATOM 113 CE2 TYR A 7 4.950 2.791 1.134 1.00 0.00 C ATOM 114 CZ TYR A 7 6.272 3.044 0.840 1.00 0.00 C ATOM 115 OH TYR A 7 7.235 2.066 0.994 1.00 0.00 O ATOM 0 H TYR A 7 1.953 5.960 2.957 1.00 0.00 H new ATOM 0 HA TYR A 7 4.191 7.487 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.315 5.664 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.519 6.731 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.972 6.255 -0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.967 3.562 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.663 4.502 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.658 1.817 1.497 1.00 0.00 H new ATOM 0 HH TYR A 7 6.817 1.245 1.329 1.00 0.00 H new ATOM 125 N CYS A 8 0.999 7.636 1.139 1.00 0.00 N ATOM 126 CA CYS A 8 -0.176 8.528 0.906 1.00 0.00 C ATOM 127 C CYS A 8 -1.137 8.239 2.084 1.00 0.00 C ATOM 128 O CYS A 8 -0.747 8.486 3.210 1.00 0.00 O ATOM 129 CB CYS A 8 -0.738 8.138 -0.492 1.00 0.00 C ATOM 130 SG CYS A 8 -1.658 6.592 -0.655 1.00 0.00 S ATOM 0 H CYS A 8 0.779 6.642 1.082 1.00 0.00 H new ATOM 0 HA CYS A 8 0.026 9.599 0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.389 8.947 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.101 8.098 -1.187 1.00 0.00 H new ATOM 135 N GLU A 9 -2.329 7.745 1.829 1.00 0.00 N ATOM 136 CA GLU A 9 -3.282 7.447 2.947 1.00 0.00 C ATOM 137 C GLU A 9 -3.706 5.958 2.941 1.00 0.00 C ATOM 138 O GLU A 9 -3.493 5.264 3.921 1.00 0.00 O ATOM 139 CB GLU A 9 -4.524 8.366 2.790 1.00 0.00 C ATOM 140 CG GLU A 9 -5.315 8.368 4.122 1.00 0.00 C ATOM 141 CD GLU A 9 -6.483 9.361 4.053 1.00 0.00 C ATOM 142 OE1 GLU A 9 -6.199 10.538 4.216 1.00 0.00 O ATOM 143 OE2 GLU A 9 -7.587 8.881 3.840 1.00 0.00 O ATOM 0 H GLU A 9 -2.681 7.536 0.895 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.791 7.639 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.214 9.379 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.156 8.011 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.693 7.367 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.652 8.634 4.945 1.00 0.00 H new ATOM 150 N TYR A 10 -4.282 5.548 1.829 1.00 0.00 N ATOM 151 CA TYR A 10 -4.787 4.148 1.593 1.00 0.00 C ATOM 152 C TYR A 10 -4.465 3.072 2.659 1.00 0.00 C ATOM 153 O TYR A 10 -3.325 2.715 2.871 1.00 0.00 O ATOM 154 CB TYR A 10 -4.245 3.680 0.240 1.00 0.00 C ATOM 155 CG TYR A 10 -4.779 2.266 -0.062 1.00 0.00 C ATOM 156 CD1 TYR A 10 -6.055 2.064 -0.547 1.00 0.00 C ATOM 157 CD2 TYR A 10 -3.973 1.171 0.167 1.00 0.00 C ATOM 158 CE1 TYR A 10 -6.511 0.783 -0.797 1.00 0.00 C ATOM 159 CE2 TYR A 10 -4.427 -0.103 -0.081 1.00 0.00 C ATOM 160 CZ TYR A 10 -5.698 -0.309 -0.561 1.00 0.00 C ATOM 161 OH TYR A 10 -6.142 -1.592 -0.804 1.00 0.00 O ATOM 0 H TYR A 10 -4.430 6.165 1.030 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.873 4.235 1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.550 4.372 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.155 3.674 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.700 2.910 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.972 1.316 0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.510 0.635 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.780 -0.948 0.103 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.378 -2.206 -0.814 1.00 0.00 H new ATOM 171 N ARG A 11 -5.505 2.591 3.288 1.00 0.00 N ATOM 172 CA ARG A 11 -5.354 1.539 4.342 1.00 0.00 C ATOM 173 C ARG A 11 -6.087 0.291 3.809 1.00 0.00 C ATOM 174 O ARG A 11 -6.902 0.396 2.911 1.00 0.00 O ATOM 175 CB ARG A 11 -6.015 2.005 5.664 1.00 0.00 C ATOM 176 CG ARG A 11 -5.330 3.266 6.258 1.00 0.00 C ATOM 177 CD ARG A 11 -5.873 3.539 7.691 1.00 0.00 C ATOM 178 NE ARG A 11 -5.736 2.313 8.559 1.00 0.00 N ATOM 179 CZ ARG A 11 -5.209 2.366 9.760 1.00 0.00 C ATOM 180 NH1 ARG A 11 -5.280 3.462 10.466 1.00 0.00 N ATOM 181 NH2 ARG A 11 -4.630 1.295 10.232 1.00 0.00 N ATOM 0 H ARG A 11 -6.466 2.885 3.115 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.303 1.335 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.069 2.218 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.973 1.195 6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.250 3.123 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.518 4.128 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.328 4.370 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.920 3.837 7.637 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.063 1.415 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.747 4.285 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.868 3.496 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.595 0.444 9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.212 1.309 11.163 1.00 0.00 H new ATOM 195 N SER A 12 -5.784 -0.852 4.369 1.00 0.00 N ATOM 196 CA SER A 12 -6.439 -2.122 3.920 1.00 0.00 C ATOM 197 C SER A 12 -6.780 -2.962 5.159 1.00 0.00 C ATOM 198 O SER A 12 -6.453 -2.601 6.277 1.00 0.00 O ATOM 199 CB SER A 12 -5.475 -2.911 2.994 1.00 0.00 C ATOM 200 OG SER A 12 -4.955 -1.949 2.084 1.00 0.00 O ATOM 0 H SER A 12 -5.106 -0.963 5.123 1.00 0.00 H new ATOM 0 HA SER A 12 -7.349 -1.896 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.676 -3.381 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.000 -3.707 2.467 1.00 0.00 H new ATOM 0 HG SER A 12 -5.510 -1.929 1.276 1.00 0.00 H new ATOM 206 N ALA A 13 -7.427 -4.066 4.889 1.00 0.00 N ATOM 207 CA ALA A 13 -7.845 -5.025 5.962 1.00 0.00 C ATOM 208 C ALA A 13 -7.063 -6.331 5.777 1.00 0.00 C ATOM 209 O ALA A 13 -6.850 -7.077 6.715 1.00 0.00 O ATOM 210 CB ALA A 13 -9.334 -5.326 5.851 1.00 0.00 C ATOM 0 H ALA A 13 -7.691 -4.352 3.946 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.642 -4.585 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.624 -6.024 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.901 -4.402 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.544 -5.768 4.877 1.00 0.00 H new ATOM 216 N ASP A 14 -6.676 -6.539 4.543 1.00 0.00 N ATOM 217 CA ASP A 14 -5.901 -7.745 4.140 1.00 0.00 C ATOM 218 C ASP A 14 -4.525 -7.314 3.563 1.00 0.00 C ATOM 219 O ASP A 14 -4.415 -6.842 2.449 1.00 0.00 O ATOM 220 CB ASP A 14 -6.767 -8.507 3.105 1.00 0.00 C ATOM 221 CG ASP A 14 -6.005 -9.714 2.524 1.00 0.00 C ATOM 222 OD1 ASP A 14 -5.104 -9.454 1.738 1.00 0.00 O ATOM 223 OD2 ASP A 14 -6.361 -10.821 2.898 1.00 0.00 O ATOM 0 H ASP A 14 -6.874 -5.898 3.775 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.689 -8.400 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.688 -8.848 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.054 -7.832 2.299 1.00 0.00 H new ATOM 228 N SER A 15 -3.518 -7.491 4.383 1.00 0.00 N ATOM 229 CA SER A 15 -2.090 -7.161 4.065 1.00 0.00 C ATOM 230 C SER A 15 -1.711 -7.235 2.577 1.00 0.00 C ATOM 231 O SER A 15 -1.269 -6.254 2.026 1.00 0.00 O ATOM 232 CB SER A 15 -1.214 -8.118 4.886 1.00 0.00 C ATOM 233 OG SER A 15 0.130 -7.757 4.596 1.00 0.00 O ATOM 0 H SER A 15 -3.638 -7.876 5.320 1.00 0.00 H new ATOM 0 HA SER A 15 -1.931 -6.114 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.423 -8.023 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.408 -9.156 4.614 1.00 0.00 H new ATOM 0 HG SER A 15 0.738 -8.283 5.156 1.00 0.00 H new ATOM 239 N SER A 16 -1.874 -8.383 1.967 1.00 0.00 N ATOM 240 CA SER A 16 -1.537 -8.557 0.513 1.00 0.00 C ATOM 241 C SER A 16 -2.004 -7.370 -0.334 1.00 0.00 C ATOM 242 O SER A 16 -1.242 -6.803 -1.093 1.00 0.00 O ATOM 243 CB SER A 16 -2.197 -9.856 0.001 1.00 0.00 C ATOM 244 OG SER A 16 -1.897 -9.904 -1.388 1.00 0.00 O ATOM 0 H SER A 16 -2.232 -9.223 2.420 1.00 0.00 H new ATOM 0 HA SER A 16 -0.453 -8.614 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.802 -10.729 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.274 -9.844 0.171 1.00 0.00 H new ATOM 0 HG SER A 16 -2.289 -10.713 -1.780 1.00 0.00 H new ATOM 250 N ASN A 17 -3.259 -7.042 -0.171 1.00 0.00 N ATOM 251 CA ASN A 17 -3.862 -5.901 -0.928 1.00 0.00 C ATOM 252 C ASN A 17 -3.006 -4.639 -0.684 1.00 0.00 C ATOM 253 O ASN A 17 -2.717 -3.892 -1.600 1.00 0.00 O ATOM 254 CB ASN A 17 -5.307 -5.650 -0.446 1.00 0.00 C ATOM 255 CG ASN A 17 -6.160 -6.944 -0.388 1.00 0.00 C ATOM 256 OD1 ASN A 17 -5.655 -8.122 -0.642 1.00 0.00 O flip ATOM 257 ND2 ASN A 17 -7.336 -6.888 -0.093 1.00 0.00 N flip ATOM 0 H ASN A 17 -3.900 -7.521 0.461 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.885 -6.138 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.280 -5.195 0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.787 -4.934 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.768 -5.987 0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.892 -7.742 -0.051 1.00 0.00 H new ATOM 264 N LEU A 18 -2.619 -4.445 0.555 1.00 0.00 N ATOM 265 CA LEU A 18 -1.782 -3.255 0.896 1.00 0.00 C ATOM 266 C LEU A 18 -0.410 -3.375 0.202 1.00 0.00 C ATOM 267 O LEU A 18 0.043 -2.413 -0.378 1.00 0.00 O ATOM 268 CB LEU A 18 -1.640 -3.190 2.437 1.00 0.00 C ATOM 269 CG LEU A 18 -0.802 -1.966 2.882 1.00 0.00 C ATOM 270 CD1 LEU A 18 -1.387 -0.638 2.336 1.00 0.00 C ATOM 271 CD2 LEU A 18 -0.844 -1.884 4.400 1.00 0.00 C ATOM 0 H LEU A 18 -2.846 -5.056 1.339 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.248 -2.334 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.629 -3.139 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.169 -4.104 2.798 1.00 0.00 H new ATOM 0 HG LEU A 18 0.210 -2.094 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.770 0.196 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.399 -0.666 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.404 -0.509 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.259 -1.027 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.877 -1.769 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.427 -2.797 4.825 1.00 0.00 H new ATOM 283 N LYS A 19 0.215 -4.529 0.280 1.00 0.00 N ATOM 284 CA LYS A 19 1.556 -4.743 -0.376 1.00 0.00 C ATOM 285 C LYS A 19 1.454 -4.230 -1.815 1.00 0.00 C ATOM 286 O LYS A 19 2.236 -3.410 -2.247 1.00 0.00 O ATOM 287 CB LYS A 19 1.939 -6.243 -0.436 1.00 0.00 C ATOM 288 CG LYS A 19 1.903 -6.878 0.954 1.00 0.00 C ATOM 289 CD LYS A 19 2.345 -8.363 0.858 1.00 0.00 C ATOM 290 CE LYS A 19 2.128 -9.072 2.203 1.00 0.00 C ATOM 291 NZ LYS A 19 2.770 -8.310 3.314 1.00 0.00 N ATOM 0 H LYS A 19 -0.149 -5.343 0.775 1.00 0.00 H new ATOM 0 HA LYS A 19 2.314 -4.218 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.252 -6.770 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.937 -6.350 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.562 -6.335 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.897 -6.813 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.777 -8.869 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.396 -8.419 0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.060 -9.175 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.543 -10.079 2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.202 -8.975 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.505 -7.684 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.052 -7.739 3.804 1.00 0.00 H new ATOM 305 N THR A 20 0.468 -4.748 -2.512 1.00 0.00 N ATOM 306 CA THR A 20 0.232 -4.347 -3.930 1.00 0.00 C ATOM 307 C THR A 20 0.194 -2.828 -4.015 1.00 0.00 C ATOM 308 O THR A 20 1.012 -2.256 -4.709 1.00 0.00 O ATOM 309 CB THR A 20 -1.113 -4.949 -4.413 1.00 0.00 C ATOM 310 OG1 THR A 20 -0.933 -6.344 -4.215 1.00 0.00 O ATOM 311 CG2 THR A 20 -1.267 -4.782 -5.940 1.00 0.00 C ATOM 0 H THR A 20 -0.189 -5.440 -2.150 1.00 0.00 H new ATOM 0 HA THR A 20 1.034 -4.720 -4.567 1.00 0.00 H new ATOM 0 HB THR A 20 -1.960 -4.489 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.742 -6.821 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.217 -5.211 -6.259 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.244 -3.722 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.449 -5.295 -6.446 1.00 0.00 H new ATOM 319 N HIS A 21 -0.752 -2.244 -3.310 1.00 0.00 N ATOM 320 CA HIS A 21 -0.898 -0.752 -3.301 1.00 0.00 C ATOM 321 C HIS A 21 0.506 -0.113 -3.233 1.00 0.00 C ATOM 322 O HIS A 21 0.915 0.615 -4.110 1.00 0.00 O ATOM 323 CB HIS A 21 -1.766 -0.377 -2.071 1.00 0.00 C ATOM 324 CG HIS A 21 -1.841 1.141 -1.930 1.00 0.00 C ATOM 325 ND1 HIS A 21 -2.677 1.954 -2.507 1.00 0.00 N ATOM 326 CD2 HIS A 21 -1.022 1.955 -1.178 1.00 0.00 C ATOM 327 CE1 HIS A 21 -2.414 3.177 -2.153 1.00 0.00 C ATOM 328 NE2 HIS A 21 -1.395 3.189 -1.341 1.00 0.00 N ATOM 0 H HIS A 21 -1.433 -2.743 -2.737 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.384 -0.383 -4.204 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.768 -0.790 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.340 -0.814 -1.168 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -3.425 1.674 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.205 1.622 -0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.958 4.050 -2.482 1.00 0.00 H new ATOM 336 N ILE A 22 1.220 -0.412 -2.187 1.00 0.00 N ATOM 337 CA ILE A 22 2.592 0.147 -2.019 1.00 0.00 C ATOM 338 C ILE A 22 3.517 -0.085 -3.239 1.00 0.00 C ATOM 339 O ILE A 22 4.197 0.832 -3.651 1.00 0.00 O ATOM 340 CB ILE A 22 3.233 -0.477 -0.742 1.00 0.00 C ATOM 341 CG1 ILE A 22 2.363 -0.107 0.502 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.675 0.085 -0.611 1.00 0.00 C ATOM 343 CD1 ILE A 22 2.905 -0.806 1.764 1.00 0.00 C ATOM 0 H ILE A 22 0.911 -1.025 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 22 2.489 1.228 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 22 3.276 -1.564 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.366 0.973 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.328 -0.403 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.150 -0.335 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.253 -0.186 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.636 1.171 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.288 -0.538 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.878 -1.886 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.932 -0.489 1.943 1.00 0.00 H new ATOM 355 N LYS A 23 3.525 -1.275 -3.791 1.00 0.00 N ATOM 356 CA LYS A 23 4.417 -1.547 -4.971 1.00 0.00 C ATOM 357 C LYS A 23 3.819 -1.189 -6.345 1.00 0.00 C ATOM 358 O LYS A 23 4.462 -1.358 -7.364 1.00 0.00 O ATOM 359 CB LYS A 23 4.784 -3.032 -4.957 1.00 0.00 C ATOM 360 CG LYS A 23 5.464 -3.385 -3.614 1.00 0.00 C ATOM 361 CD LYS A 23 5.848 -4.882 -3.552 1.00 0.00 C ATOM 362 CE LYS A 23 4.583 -5.766 -3.653 1.00 0.00 C ATOM 363 NZ LYS A 23 4.915 -7.184 -3.340 1.00 0.00 N ATOM 0 H LYS A 23 2.959 -2.065 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 23 5.283 -0.895 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.889 -3.639 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.454 -3.259 -5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.357 -2.773 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.792 -3.146 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.534 -5.122 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.373 -5.091 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.822 -5.403 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.162 -5.697 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.056 -7.766 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.626 -7.531 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.296 -7.246 -2.374 1.00 0.00 H new ATOM 377 N THR A 24 2.609 -0.699 -6.327 1.00 0.00 N ATOM 378 CA THR A 24 1.876 -0.297 -7.571 1.00 0.00 C ATOM 379 C THR A 24 1.777 1.224 -7.679 1.00 0.00 C ATOM 380 O THR A 24 1.930 1.785 -8.748 1.00 0.00 O ATOM 381 CB THR A 24 0.469 -0.939 -7.513 1.00 0.00 C ATOM 382 OG1 THR A 24 0.701 -2.336 -7.608 1.00 0.00 O ATOM 383 CG2 THR A 24 -0.413 -0.574 -8.734 1.00 0.00 C ATOM 0 H THR A 24 2.076 -0.554 -5.470 1.00 0.00 H new ATOM 0 HA THR A 24 2.413 -0.643 -8.454 1.00 0.00 H new ATOM 0 HB THR A 24 -0.040 -0.601 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.851 -2.704 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.387 -1.054 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.544 0.507 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.071 -0.918 -9.648 1.00 0.00 H new ATOM 391 N LYS A 25 1.537 1.812 -6.543 1.00 0.00 N ATOM 392 CA LYS A 25 1.391 3.285 -6.393 1.00 0.00 C ATOM 393 C LYS A 25 2.722 3.907 -5.975 1.00 0.00 C ATOM 394 O LYS A 25 3.123 4.924 -6.509 1.00 0.00 O ATOM 395 CB LYS A 25 0.346 3.607 -5.297 1.00 0.00 C ATOM 396 CG LYS A 25 -0.966 2.785 -5.434 1.00 0.00 C ATOM 397 CD LYS A 25 -1.635 2.938 -6.818 1.00 0.00 C ATOM 398 CE LYS A 25 -2.058 4.397 -7.072 1.00 0.00 C ATOM 399 NZ LYS A 25 -3.016 4.842 -6.021 1.00 0.00 N ATOM 0 H LYS A 25 1.431 1.302 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 25 1.070 3.693 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.786 3.415 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.106 4.670 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.748 1.732 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.667 3.100 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.944 2.616 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.508 2.288 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.180 5.044 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.519 4.484 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.500 5.707 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.719 4.094 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.499 5.036 -5.140 1.00 0.00 H new ATOM 413 N HIS A 26 3.362 3.272 -5.028 1.00 0.00 N ATOM 414 CA HIS A 26 4.677 3.792 -4.524 1.00 0.00 C ATOM 415 C HIS A 26 5.827 2.840 -4.913 1.00 0.00 C ATOM 416 O HIS A 26 6.558 2.340 -4.078 1.00 0.00 O ATOM 417 CB HIS A 26 4.559 3.943 -3.000 1.00 0.00 C ATOM 418 CG HIS A 26 3.219 4.592 -2.634 1.00 0.00 C ATOM 419 ND1 HIS A 26 2.777 5.766 -2.997 1.00 0.00 N ATOM 420 CD2 HIS A 26 2.218 4.078 -1.843 1.00 0.00 C ATOM 421 CE1 HIS A 26 1.596 5.982 -2.484 1.00 0.00 C ATOM 422 NE2 HIS A 26 1.241 4.950 -1.768 1.00 0.00 N ATOM 0 H HIS A 26 3.035 2.416 -4.579 1.00 0.00 H new ATOM 0 HA HIS A 26 4.908 4.757 -4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.640 2.966 -2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.381 4.551 -2.623 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.282 6.420 -3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.234 3.112 -1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.005 6.875 -2.629 1.00 0.00 H new ATOM 430 N SER A 27 5.903 2.642 -6.207 1.00 0.00 N ATOM 431 CA SER A 27 6.915 1.771 -6.900 1.00 0.00 C ATOM 432 C SER A 27 8.036 1.146 -6.033 1.00 0.00 C ATOM 433 O SER A 27 9.155 1.616 -6.016 1.00 0.00 O ATOM 434 CB SER A 27 7.522 2.618 -8.037 1.00 0.00 C ATOM 435 OG SER A 27 6.434 2.930 -8.903 1.00 0.00 O ATOM 0 H SER A 27 5.255 3.083 -6.859 1.00 0.00 H new ATOM 0 HA SER A 27 6.374 0.890 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.985 3.524 -7.647 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.299 2.066 -8.566 1.00 0.00 H new ATOM 0 HG SER A 27 6.757 3.473 -9.652 1.00 0.00 H new ATOM 441 N LYS A 28 7.657 0.096 -5.349 1.00 0.00 N ATOM 442 CA LYS A 28 8.541 -0.709 -4.424 1.00 0.00 C ATOM 443 C LYS A 28 9.469 0.048 -3.435 1.00 0.00 C ATOM 444 O LYS A 28 9.622 1.254 -3.498 1.00 0.00 O ATOM 445 CB LYS A 28 9.413 -1.661 -5.309 1.00 0.00 C ATOM 446 CG LYS A 28 8.541 -2.818 -5.879 1.00 0.00 C ATOM 447 CD LYS A 28 9.416 -3.874 -6.605 1.00 0.00 C ATOM 448 CE LYS A 28 9.957 -3.326 -7.936 1.00 0.00 C ATOM 449 NZ LYS A 28 10.924 -4.298 -8.521 1.00 0.00 N ATOM 0 H LYS A 28 6.704 -0.265 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 28 7.841 -1.215 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.862 -1.098 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.231 -2.071 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.989 -3.294 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.804 -2.414 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.248 -4.165 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.828 -4.773 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.135 -3.153 -8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.445 -2.365 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.289 -3.926 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.714 -4.442 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.445 -5.205 -8.691 1.00 0.00 H new ATOM 463 N GLU A 29 10.064 -0.709 -2.532 1.00 0.00 N ATOM 464 CA GLU A 29 10.992 -0.115 -1.507 1.00 0.00 C ATOM 465 C GLU A 29 12.424 -0.654 -1.714 1.00 0.00 C ATOM 466 O GLU A 29 13.318 0.101 -2.050 1.00 0.00 O ATOM 467 CB GLU A 29 10.588 -0.487 -0.038 1.00 0.00 C ATOM 468 CG GLU A 29 9.073 -0.553 0.250 1.00 0.00 C ATOM 469 CD GLU A 29 8.470 -1.894 -0.216 1.00 0.00 C ATOM 470 OE1 GLU A 29 8.562 -2.820 0.574 1.00 0.00 O ATOM 471 OE2 GLU A 29 7.958 -1.930 -1.322 1.00 0.00 O ATOM 0 H GLU A 29 9.944 -1.720 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 29 10.933 0.965 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.026 -1.455 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.035 0.243 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.898 -0.425 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.569 0.270 -0.256 1.00 0.00 H new ATOM 478 N LYS A 30 12.591 -1.944 -1.515 1.00 0.00 N ATOM 479 CA LYS A 30 13.932 -2.599 -1.680 1.00 0.00 C ATOM 480 C LYS A 30 13.931 -3.398 -2.994 1.00 0.00 C ATOM 481 O LYS A 30 14.815 -4.174 -3.297 1.00 0.00 O ATOM 482 CB LYS A 30 14.205 -3.558 -0.451 1.00 0.00 C ATOM 483 CG LYS A 30 13.350 -4.871 -0.515 1.00 0.00 C ATOM 484 CD LYS A 30 13.650 -5.826 0.681 1.00 0.00 C ATOM 485 CE LYS A 30 15.062 -6.423 0.559 1.00 0.00 C ATOM 486 NZ LYS A 30 15.236 -7.497 1.571 1.00 0.00 N ATOM 0 H LYS A 30 11.842 -2.580 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 30 14.720 -1.846 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.263 -3.818 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.984 -3.028 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.291 -4.614 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.553 -5.390 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.561 -5.280 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.912 -6.628 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.213 -6.825 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.811 -5.645 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.191 -7.901 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.109 -7.100 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.530 -8.243 1.410 1.00 0.00 H new TER 500 LYS A 30 HETATM 501 ZN ZN A 31 -0.360 4.713 -0.628 1.00 0.00 ZN