USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=19 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 24 THR OG1 : rot 180:sc= 0.225 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -125:sc= -0.238 (180deg=-3.04!) USER MOD Set 2.1: A 6 GLN :FLIP amide:sc= 0.539 F(o=-0.034,f=1.1) USER MOD Set 2.2: A 7 TYR OH : rot 90:sc= 0.583 USER MOD Single : A 1 LYS N :NH3+ 142:sc= 0.00335 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -170:sc= -0.013 (180deg=-0.191) USER MOD Single : A 2 THR OG1 : rot 140:sc= -0.545 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -1.51 F(o=-4!,f=-1.5) USER MOD Single : A 12 SER OG : rot -157:sc= -1.21! USER MOD Single : A 15 SER OG : rot -45:sc= 0.912 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.0591 (180deg=-0.485) USER MOD Single : A 20 THR OG1 : rot 88:sc= 0.273 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.029 (180deg=-0.36) USER MOD Single : A 27 SER OG : rot 180:sc= -0.052 USER MOD Single : A 28 LYS NZ :NH3+ 135:sc= 0.448 (180deg=-0.475) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0999 (180deg=-0.491) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.708 10.831 0.956 1.00 0.00 N ATOM 2 CA LYS A 1 -11.995 10.141 -0.156 1.00 0.00 C ATOM 3 C LYS A 1 -10.793 9.410 0.460 1.00 0.00 C ATOM 4 O LYS A 1 -9.998 10.007 1.160 1.00 0.00 O ATOM 5 CB LYS A 1 -11.530 11.185 -1.185 1.00 0.00 C ATOM 6 CG LYS A 1 -11.031 10.491 -2.470 1.00 0.00 C ATOM 7 CD LYS A 1 -10.642 11.583 -3.489 1.00 0.00 C ATOM 8 CE LYS A 1 -10.260 10.945 -4.836 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.091 10.034 -4.676 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.051 11.756 0.627 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.515 10.252 1.263 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.056 10.967 1.755 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.643 9.429 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.352 11.860 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.732 11.793 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.174 9.854 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.809 9.848 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.474 12.273 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.805 12.167 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.109 10.389 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.023 11.725 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.744 9.747 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.334 10.528 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.379 9.190 -4.140 1.00 0.00 H new ATOM 25 N THR A 2 -10.710 8.137 0.175 1.00 0.00 N ATOM 26 CA THR A 2 -9.600 7.283 0.701 1.00 0.00 C ATOM 27 C THR A 2 -8.830 6.531 -0.388 1.00 0.00 C ATOM 28 O THR A 2 -9.210 6.479 -1.540 1.00 0.00 O ATOM 29 CB THR A 2 -10.232 6.278 1.719 1.00 0.00 C ATOM 30 OG1 THR A 2 -9.255 5.313 2.088 1.00 0.00 O ATOM 31 CG2 THR A 2 -11.364 5.434 1.092 1.00 0.00 C ATOM 0 H THR A 2 -11.380 7.641 -0.413 1.00 0.00 H new ATOM 0 HA THR A 2 -8.861 7.930 1.174 1.00 0.00 H new ATOM 0 HB THR A 2 -10.604 6.882 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.328 5.124 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.768 4.753 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.156 6.094 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.968 4.859 0.255 1.00 0.00 H new ATOM 39 N TYR A 3 -7.744 5.981 0.084 1.00 0.00 N ATOM 40 CA TYR A 3 -6.800 5.175 -0.745 1.00 0.00 C ATOM 41 C TYR A 3 -6.747 3.850 0.029 1.00 0.00 C ATOM 42 O TYR A 3 -6.570 3.884 1.230 1.00 0.00 O ATOM 43 CB TYR A 3 -5.403 5.819 -0.769 1.00 0.00 C ATOM 44 CG TYR A 3 -5.449 7.270 -1.283 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.070 7.587 -2.477 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.850 8.282 -0.554 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.087 8.889 -2.931 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.867 9.581 -1.009 1.00 0.00 C ATOM 49 CZ TYR A 3 -5.487 9.895 -2.202 1.00 0.00 C ATOM 50 OH TYR A 3 -5.509 11.197 -2.659 1.00 0.00 O ATOM 0 H TYR A 3 -7.460 6.063 1.060 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.109 5.080 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.978 5.803 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.742 5.229 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.545 6.810 -3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.364 8.050 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.574 9.123 -3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.393 10.359 -0.429 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.041 11.775 -2.021 1.00 0.00 H new ATOM 60 N GLN A 4 -6.890 2.733 -0.641 1.00 0.00 N ATOM 61 CA GLN A 4 -6.850 1.420 0.088 1.00 0.00 C ATOM 62 C GLN A 4 -5.680 0.561 -0.420 1.00 0.00 C ATOM 63 O GLN A 4 -5.203 0.739 -1.523 1.00 0.00 O ATOM 64 CB GLN A 4 -8.239 0.750 -0.142 1.00 0.00 C ATOM 65 CG GLN A 4 -8.638 -0.239 0.993 1.00 0.00 C ATOM 66 CD GLN A 4 -7.945 -1.601 0.884 1.00 0.00 C ATOM 67 OE1 GLN A 4 -7.120 -1.970 1.820 1.00 0.00 O flip ATOM 68 NE2 GLN A 4 -8.151 -2.340 -0.056 1.00 0.00 N flip ATOM 0 H GLN A 4 -7.031 2.669 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.676 1.547 1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.000 1.526 -0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.225 0.216 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.395 0.208 1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.718 -0.386 0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.796 -2.059 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.679 -3.243 -0.108 1.00 0.00 H new ATOM 77 N CYS A 5 -5.265 -0.350 0.422 1.00 0.00 N ATOM 78 CA CYS A 5 -4.136 -1.280 0.101 1.00 0.00 C ATOM 79 C CYS A 5 -4.589 -2.324 -0.937 1.00 0.00 C ATOM 80 O CYS A 5 -5.764 -2.439 -1.218 1.00 0.00 O ATOM 81 CB CYS A 5 -3.701 -1.948 1.424 1.00 0.00 C ATOM 82 SG CYS A 5 -2.314 -3.110 1.371 1.00 0.00 S ATOM 0 H CYS A 5 -5.673 -0.493 1.346 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.294 -0.742 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.448 -1.157 2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.563 -2.475 1.832 1.00 0.00 H new ATOM 87 N GLN A 6 -3.643 -3.057 -1.474 1.00 0.00 N ATOM 88 CA GLN A 6 -3.959 -4.110 -2.500 1.00 0.00 C ATOM 89 C GLN A 6 -3.491 -5.501 -2.036 1.00 0.00 C ATOM 90 O GLN A 6 -3.408 -6.423 -2.823 1.00 0.00 O ATOM 91 CB GLN A 6 -3.257 -3.715 -3.824 1.00 0.00 C ATOM 92 CG GLN A 6 -1.720 -3.740 -3.647 1.00 0.00 C ATOM 93 CD GLN A 6 -1.036 -3.340 -4.957 1.00 0.00 C ATOM 94 OE1 GLN A 6 -0.298 -4.220 -5.577 1.00 0.00 O flip ATOM 95 NE2 GLN A 6 -1.165 -2.228 -5.431 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.653 -2.972 -1.244 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.038 -4.167 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.549 -4.403 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.578 -2.720 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.426 -3.057 -2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.396 -4.737 -3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.740 -1.534 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.698 -1.989 -6.306 1.00 0.00 H new ATOM 104 N TYR A 7 -3.204 -5.595 -0.764 1.00 0.00 N ATOM 105 CA TYR A 7 -2.734 -6.877 -0.156 1.00 0.00 C ATOM 106 C TYR A 7 -3.656 -7.219 1.018 1.00 0.00 C ATOM 107 O TYR A 7 -4.228 -8.291 1.070 1.00 0.00 O ATOM 108 CB TYR A 7 -1.299 -6.680 0.322 1.00 0.00 C ATOM 109 CG TYR A 7 -0.408 -6.257 -0.857 1.00 0.00 C ATOM 110 CD1 TYR A 7 -0.106 -7.147 -1.870 1.00 0.00 C ATOM 111 CD2 TYR A 7 0.100 -4.974 -0.922 1.00 0.00 C ATOM 112 CE1 TYR A 7 0.691 -6.758 -2.925 1.00 0.00 C ATOM 113 CE2 TYR A 7 0.897 -4.588 -1.978 1.00 0.00 C ATOM 114 CZ TYR A 7 1.196 -5.478 -2.988 1.00 0.00 C ATOM 115 OH TYR A 7 1.993 -5.087 -4.043 1.00 0.00 O ATOM 0 H TYR A 7 -3.277 -4.819 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.760 -7.694 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.268 -5.921 1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.922 -7.604 0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.497 -8.153 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.129 -4.267 -0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.922 -7.463 -3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.290 -3.583 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 7 1.432 -4.727 -4.761 1.00 0.00 H new ATOM 125 N CYS A 8 -3.758 -6.279 1.927 1.00 0.00 N ATOM 126 CA CYS A 8 -4.621 -6.448 3.139 1.00 0.00 C ATOM 127 C CYS A 8 -5.738 -5.411 3.085 1.00 0.00 C ATOM 128 O CYS A 8 -5.924 -4.736 2.089 1.00 0.00 O ATOM 129 CB CYS A 8 -3.813 -6.219 4.422 1.00 0.00 C ATOM 130 SG CYS A 8 -3.230 -4.538 4.759 1.00 0.00 S ATOM 0 H CYS A 8 -3.270 -5.385 1.879 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.020 -7.462 3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.425 -6.537 5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.944 -6.876 4.393 1.00 0.00 H new ATOM 135 N GLU A 9 -6.452 -5.309 4.174 1.00 0.00 N ATOM 136 CA GLU A 9 -7.577 -4.331 4.243 1.00 0.00 C ATOM 137 C GLU A 9 -7.190 -3.138 5.126 1.00 0.00 C ATOM 138 O GLU A 9 -7.715 -2.895 6.198 1.00 0.00 O ATOM 139 CB GLU A 9 -8.836 -5.073 4.785 1.00 0.00 C ATOM 140 CG GLU A 9 -10.059 -4.105 4.836 1.00 0.00 C ATOM 141 CD GLU A 9 -10.154 -3.261 3.544 1.00 0.00 C ATOM 142 OE1 GLU A 9 -10.470 -3.845 2.520 1.00 0.00 O ATOM 143 OE2 GLU A 9 -9.895 -2.072 3.656 1.00 0.00 O ATOM 0 H GLU A 9 -6.305 -5.861 5.019 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.801 -3.932 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.066 -5.926 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.633 -5.466 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.976 -4.679 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.969 -3.446 5.699 1.00 0.00 H new ATOM 150 N PHE A 10 -6.236 -2.426 4.585 1.00 0.00 N ATOM 151 CA PHE A 10 -5.683 -1.205 5.243 1.00 0.00 C ATOM 152 C PHE A 10 -6.041 -0.015 4.349 1.00 0.00 C ATOM 153 O PHE A 10 -5.541 0.107 3.248 1.00 0.00 O ATOM 154 CB PHE A 10 -4.141 -1.349 5.378 1.00 0.00 C ATOM 155 CG PHE A 10 -3.530 -0.040 5.926 1.00 0.00 C ATOM 156 CD1 PHE A 10 -3.741 0.336 7.240 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.775 0.784 5.107 1.00 0.00 C ATOM 158 CE1 PHE A 10 -3.211 1.516 7.725 1.00 0.00 C ATOM 159 CE2 PHE A 10 -2.248 1.966 5.596 1.00 0.00 C ATOM 160 CZ PHE A 10 -2.466 2.330 6.900 1.00 0.00 C ATOM 0 H PHE A 10 -5.805 -2.648 3.688 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.096 -1.063 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.903 -2.178 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.704 -1.585 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.324 -0.297 7.892 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.597 0.502 4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.381 1.801 8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.664 2.604 4.949 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.054 3.253 7.280 1.00 0.00 H new ATOM 170 N ARG A 11 -6.906 0.820 4.864 1.00 0.00 N ATOM 171 CA ARG A 11 -7.351 2.036 4.116 1.00 0.00 C ATOM 172 C ARG A 11 -6.757 3.220 4.875 1.00 0.00 C ATOM 173 O ARG A 11 -6.785 3.266 6.089 1.00 0.00 O ATOM 174 CB ARG A 11 -8.918 2.116 4.078 1.00 0.00 C ATOM 175 CG ARG A 11 -9.619 2.398 5.439 1.00 0.00 C ATOM 176 CD ARG A 11 -9.369 1.294 6.488 1.00 0.00 C ATOM 177 NE ARG A 11 -9.704 -0.029 5.877 1.00 0.00 N ATOM 178 CZ ARG A 11 -10.662 -0.754 6.386 1.00 0.00 C ATOM 179 NH1 ARG A 11 -11.895 -0.490 6.052 1.00 0.00 N ATOM 180 NH2 ARG A 11 -10.356 -1.719 7.205 1.00 0.00 N ATOM 0 H ARG A 11 -7.330 0.710 5.785 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.018 2.022 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.205 2.898 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.301 1.175 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.266 3.351 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.692 2.499 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.328 1.309 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.981 1.468 7.373 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.185 -0.364 5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.096 0.272 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.658 -1.045 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.380 -1.898 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.093 -2.295 7.612 1.00 0.00 H new ATOM 194 N SER A 12 -6.231 4.142 4.116 1.00 0.00 N ATOM 195 CA SER A 12 -5.589 5.368 4.690 1.00 0.00 C ATOM 196 C SER A 12 -6.013 6.579 3.845 1.00 0.00 C ATOM 197 O SER A 12 -6.726 6.410 2.876 1.00 0.00 O ATOM 198 CB SER A 12 -4.065 5.059 4.667 1.00 0.00 C ATOM 199 OG SER A 12 -4.027 3.762 5.208 1.00 0.00 O ATOM 0 H SER A 12 -6.217 4.099 3.097 1.00 0.00 H new ATOM 0 HA SER A 12 -5.885 5.614 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.656 5.093 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.495 5.769 5.266 1.00 0.00 H new ATOM 0 HG SER A 12 -3.140 3.592 5.589 1.00 0.00 H new ATOM 205 N ALA A 13 -5.576 7.755 4.222 1.00 0.00 N ATOM 206 CA ALA A 13 -5.947 8.985 3.449 1.00 0.00 C ATOM 207 C ALA A 13 -4.704 9.665 2.857 1.00 0.00 C ATOM 208 O ALA A 13 -4.753 10.815 2.465 1.00 0.00 O ATOM 209 CB ALA A 13 -6.680 9.934 4.407 1.00 0.00 C ATOM 0 H ALA A 13 -4.978 7.918 5.032 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.591 8.717 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.964 10.841 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.574 9.444 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.023 10.192 5.237 1.00 0.00 H new ATOM 215 N ASP A 14 -3.624 8.925 2.810 1.00 0.00 N ATOM 216 CA ASP A 14 -2.336 9.451 2.256 1.00 0.00 C ATOM 217 C ASP A 14 -1.780 8.452 1.224 1.00 0.00 C ATOM 218 O ASP A 14 -2.195 7.307 1.199 1.00 0.00 O ATOM 219 CB ASP A 14 -1.347 9.624 3.411 1.00 0.00 C ATOM 220 CG ASP A 14 -0.124 10.406 2.918 1.00 0.00 C ATOM 221 OD1 ASP A 14 -0.272 11.590 2.659 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.889 9.752 2.829 1.00 0.00 O ATOM 0 H ASP A 14 -3.579 7.960 3.138 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.495 10.411 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.823 10.153 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.041 8.650 3.792 1.00 0.00 H new ATOM 227 N SER A 15 -0.859 8.911 0.411 1.00 0.00 N ATOM 228 CA SER A 15 -0.249 8.023 -0.634 1.00 0.00 C ATOM 229 C SER A 15 1.296 8.009 -0.553 1.00 0.00 C ATOM 230 O SER A 15 1.996 7.915 -1.543 1.00 0.00 O ATOM 231 CB SER A 15 -0.777 8.550 -1.995 1.00 0.00 C ATOM 232 OG SER A 15 -0.230 7.710 -3.005 1.00 0.00 O ATOM 0 H SER A 15 -0.501 9.866 0.425 1.00 0.00 H new ATOM 0 HA SER A 15 -0.534 6.981 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.866 8.526 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.477 9.586 -2.150 1.00 0.00 H new ATOM 0 HG SER A 15 0.723 7.566 -2.830 1.00 0.00 H new ATOM 238 N SER A 16 1.761 8.103 0.665 1.00 0.00 N ATOM 239 CA SER A 16 3.223 8.099 0.993 1.00 0.00 C ATOM 240 C SER A 16 3.323 7.094 2.144 1.00 0.00 C ATOM 241 O SER A 16 4.156 6.209 2.174 1.00 0.00 O ATOM 242 CB SER A 16 3.682 9.497 1.458 1.00 0.00 C ATOM 243 OG SER A 16 3.259 10.357 0.411 1.00 0.00 O ATOM 0 H SER A 16 1.160 8.186 1.485 1.00 0.00 H new ATOM 0 HA SER A 16 3.850 7.841 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.227 9.771 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.762 9.538 1.598 1.00 0.00 H new ATOM 0 HG SER A 16 3.511 11.280 0.624 1.00 0.00 H new ATOM 249 N ASN A 17 2.434 7.281 3.085 1.00 0.00 N ATOM 250 CA ASN A 17 2.375 6.394 4.276 1.00 0.00 C ATOM 251 C ASN A 17 1.885 5.036 3.754 1.00 0.00 C ATOM 252 O ASN A 17 2.389 4.009 4.158 1.00 0.00 O ATOM 253 CB ASN A 17 1.385 6.981 5.300 1.00 0.00 C ATOM 254 CG ASN A 17 1.903 8.342 5.790 1.00 0.00 C ATOM 255 OD1 ASN A 17 1.166 9.405 5.623 1.00 0.00 O flip ATOM 256 ND2 ASN A 17 2.986 8.451 6.330 1.00 0.00 N flip ATOM 0 H ASN A 17 1.736 8.025 3.074 1.00 0.00 H new ATOM 0 HA ASN A 17 3.339 6.296 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.401 7.096 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.269 6.299 6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.573 7.628 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.308 9.366 6.646 1.00 0.00 H new ATOM 263 N LEU A 18 0.925 5.069 2.861 1.00 0.00 N ATOM 264 CA LEU A 18 0.374 3.803 2.287 1.00 0.00 C ATOM 265 C LEU A 18 1.436 3.097 1.419 1.00 0.00 C ATOM 266 O LEU A 18 1.348 1.906 1.193 1.00 0.00 O ATOM 267 CB LEU A 18 -0.894 4.183 1.471 1.00 0.00 C ATOM 268 CG LEU A 18 -1.617 2.936 0.859 1.00 0.00 C ATOM 269 CD1 LEU A 18 -1.991 1.906 1.948 1.00 0.00 C ATOM 270 CD2 LEU A 18 -2.922 3.408 0.179 1.00 0.00 C ATOM 0 H LEU A 18 0.498 5.924 2.504 1.00 0.00 H new ATOM 0 HA LEU A 18 0.105 3.096 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.589 4.720 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.613 4.865 0.668 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.939 2.464 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.491 1.054 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.087 1.566 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.659 2.370 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.438 2.550 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.566 3.884 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.684 4.123 -0.609 1.00 0.00 H new ATOM 282 N LYS A 19 2.418 3.832 0.955 1.00 0.00 N ATOM 283 CA LYS A 19 3.483 3.200 0.114 1.00 0.00 C ATOM 284 C LYS A 19 4.427 2.518 1.091 1.00 0.00 C ATOM 285 O LYS A 19 4.735 1.357 0.924 1.00 0.00 O ATOM 286 CB LYS A 19 4.245 4.270 -0.690 1.00 0.00 C ATOM 287 CG LYS A 19 3.404 4.732 -1.887 1.00 0.00 C ATOM 288 CD LYS A 19 4.212 5.792 -2.677 1.00 0.00 C ATOM 289 CE LYS A 19 3.548 6.042 -4.042 1.00 0.00 C ATOM 290 NZ LYS A 19 3.700 4.832 -4.900 1.00 0.00 N ATOM 0 H LYS A 19 2.528 4.833 1.120 1.00 0.00 H new ATOM 0 HA LYS A 19 3.058 2.498 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.477 5.121 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.195 3.865 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.162 3.885 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.459 5.154 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.261 6.722 -2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.237 5.450 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.492 6.274 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.005 6.904 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.620 5.104 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.632 4.402 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.954 4.145 -4.667 1.00 0.00 H new ATOM 304 N THR A 20 4.871 3.254 2.082 1.00 0.00 N ATOM 305 CA THR A 20 5.794 2.670 3.106 1.00 0.00 C ATOM 306 C THR A 20 5.116 1.396 3.623 1.00 0.00 C ATOM 307 O THR A 20 5.742 0.355 3.683 1.00 0.00 O ATOM 308 CB THR A 20 5.984 3.700 4.225 1.00 0.00 C ATOM 309 OG1 THR A 20 6.472 4.844 3.538 1.00 0.00 O ATOM 310 CG2 THR A 20 7.141 3.299 5.159 1.00 0.00 C ATOM 0 H THR A 20 4.633 4.235 2.226 1.00 0.00 H new ATOM 0 HA THR A 20 6.777 2.427 2.703 1.00 0.00 H new ATOM 0 HB THR A 20 5.066 3.820 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.717 5.383 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.252 4.048 5.943 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.925 2.331 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.066 3.234 4.586 1.00 0.00 H new ATOM 318 N HIS A 21 3.858 1.534 3.985 1.00 0.00 N ATOM 319 CA HIS A 21 3.045 0.391 4.496 1.00 0.00 C ATOM 320 C HIS A 21 3.393 -0.849 3.655 1.00 0.00 C ATOM 321 O HIS A 21 3.879 -1.832 4.179 1.00 0.00 O ATOM 322 CB HIS A 21 1.555 0.770 4.358 1.00 0.00 C ATOM 323 CG HIS A 21 0.684 -0.459 4.609 1.00 0.00 C ATOM 324 ND1 HIS A 21 0.371 -0.955 5.760 1.00 0.00 N ATOM 325 CD2 HIS A 21 0.071 -1.295 3.694 1.00 0.00 C ATOM 326 CE1 HIS A 21 -0.368 -2.007 5.596 1.00 0.00 C ATOM 327 NE2 HIS A 21 -0.575 -2.250 4.325 1.00 0.00 N ATOM 0 H HIS A 21 3.353 2.419 3.944 1.00 0.00 H new ATOM 0 HA HIS A 21 3.253 0.172 5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.303 1.557 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.362 1.167 3.361 1.00 0.00 H new ATOM 0 HD1 HIS A 21 0.661 -0.576 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.116 -1.180 2.621 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.763 -2.606 6.403 1.00 0.00 H new ATOM 335 N ILE A 22 3.145 -0.755 2.369 1.00 0.00 N ATOM 336 CA ILE A 22 3.448 -1.894 1.449 1.00 0.00 C ATOM 337 C ILE A 22 4.901 -2.392 1.599 1.00 0.00 C ATOM 338 O ILE A 22 5.116 -3.555 1.863 1.00 0.00 O ATOM 339 CB ILE A 22 3.168 -1.422 -0.009 1.00 0.00 C ATOM 340 CG1 ILE A 22 1.640 -1.142 -0.142 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.606 -2.522 -1.013 1.00 0.00 C ATOM 342 CD1 ILE A 22 1.312 -0.487 -1.500 1.00 0.00 C ATOM 0 H ILE A 22 2.744 0.067 1.917 1.00 0.00 H new ATOM 0 HA ILE A 22 2.810 -2.740 1.704 1.00 0.00 H new ATOM 0 HB ILE A 22 3.732 -0.516 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.086 -2.075 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.315 -0.489 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.407 -2.186 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.672 -2.717 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.046 -3.437 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.240 -0.303 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.848 0.458 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.616 -1.153 -2.308 1.00 0.00 H new ATOM 354 N LYS A 23 5.852 -1.509 1.433 1.00 0.00 N ATOM 355 CA LYS A 23 7.293 -1.901 1.557 1.00 0.00 C ATOM 356 C LYS A 23 7.713 -2.700 2.797 1.00 0.00 C ATOM 357 O LYS A 23 8.567 -3.556 2.688 1.00 0.00 O ATOM 358 CB LYS A 23 8.167 -0.613 1.476 1.00 0.00 C ATOM 359 CG LYS A 23 8.581 -0.296 0.016 1.00 0.00 C ATOM 360 CD LYS A 23 9.548 -1.402 -0.499 1.00 0.00 C ATOM 361 CE LYS A 23 10.131 -1.022 -1.871 1.00 0.00 C ATOM 362 NZ LYS A 23 10.997 0.186 -1.749 1.00 0.00 N ATOM 0 H LYS A 23 5.693 -0.525 1.215 1.00 0.00 H new ATOM 0 HA LYS A 23 7.449 -2.596 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.613 0.230 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.060 -0.739 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.698 -0.244 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.067 0.679 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.357 -1.547 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.016 -2.350 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.710 -1.854 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.323 -0.829 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.627 0.247 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.401 1.037 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.568 0.118 -0.882 1.00 0.00 H new ATOM 376 N THR A 24 7.123 -2.412 3.928 1.00 0.00 N ATOM 377 CA THR A 24 7.492 -3.153 5.179 1.00 0.00 C ATOM 378 C THR A 24 6.511 -4.278 5.574 1.00 0.00 C ATOM 379 O THR A 24 6.930 -5.244 6.181 1.00 0.00 O ATOM 380 CB THR A 24 7.628 -2.096 6.313 1.00 0.00 C ATOM 381 OG1 THR A 24 7.974 -2.838 7.479 1.00 0.00 O ATOM 382 CG2 THR A 24 6.300 -1.395 6.649 1.00 0.00 C ATOM 0 H THR A 24 6.403 -1.698 4.043 1.00 0.00 H new ATOM 0 HA THR A 24 8.430 -3.678 5.001 1.00 0.00 H new ATOM 0 HB THR A 24 8.347 -1.339 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.077 -2.226 8.237 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.463 -0.670 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.925 -0.882 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.570 -2.136 6.975 1.00 0.00 H new ATOM 390 N LYS A 25 5.255 -4.142 5.231 1.00 0.00 N ATOM 391 CA LYS A 25 4.227 -5.181 5.573 1.00 0.00 C ATOM 392 C LYS A 25 3.951 -6.187 4.454 1.00 0.00 C ATOM 393 O LYS A 25 3.469 -7.269 4.733 1.00 0.00 O ATOM 394 CB LYS A 25 2.910 -4.474 5.943 1.00 0.00 C ATOM 395 CG LYS A 25 3.010 -3.713 7.299 1.00 0.00 C ATOM 396 CD LYS A 25 3.281 -4.655 8.517 1.00 0.00 C ATOM 397 CE LYS A 25 4.788 -4.792 8.877 1.00 0.00 C ATOM 398 NZ LYS A 25 5.378 -3.462 9.198 1.00 0.00 N ATOM 0 H LYS A 25 4.889 -3.340 4.718 1.00 0.00 H new ATOM 0 HA LYS A 25 4.634 -5.753 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.643 -3.772 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.108 -5.210 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.809 -2.974 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.083 -3.166 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.742 -4.276 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.877 -5.643 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.904 -5.461 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.326 -5.242 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.207 -3.295 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.671 -2.719 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.668 -3.443 10.196 1.00 0.00 H new ATOM 412 N HIS A 26 4.249 -5.829 3.232 1.00 0.00 N ATOM 413 CA HIS A 26 4.006 -6.754 2.084 1.00 0.00 C ATOM 414 C HIS A 26 5.311 -6.905 1.303 1.00 0.00 C ATOM 415 O HIS A 26 5.404 -6.557 0.142 1.00 0.00 O ATOM 416 CB HIS A 26 2.891 -6.146 1.224 1.00 0.00 C ATOM 417 CG HIS A 26 1.615 -6.000 2.062 1.00 0.00 C ATOM 418 ND1 HIS A 26 1.006 -6.953 2.690 1.00 0.00 N ATOM 419 CD2 HIS A 26 0.850 -4.883 2.321 1.00 0.00 C ATOM 420 CE1 HIS A 26 -0.046 -6.486 3.286 1.00 0.00 C ATOM 421 NE2 HIS A 26 -0.176 -5.199 3.076 1.00 0.00 N ATOM 0 H HIS A 26 4.654 -4.928 2.978 1.00 0.00 H new ATOM 0 HA HIS A 26 3.693 -7.745 2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.201 -5.173 0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.699 -6.780 0.359 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.309 -7.927 2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.064 -3.890 1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.726 -7.080 3.878 1.00 0.00 H new ATOM 429 N SER A 27 6.290 -7.431 2.000 1.00 0.00 N ATOM 430 CA SER A 27 7.639 -7.651 1.398 1.00 0.00 C ATOM 431 C SER A 27 8.034 -9.130 1.449 1.00 0.00 C ATOM 432 O SER A 27 7.593 -9.872 2.306 1.00 0.00 O ATOM 433 CB SER A 27 8.646 -6.810 2.181 1.00 0.00 C ATOM 434 OG SER A 27 9.887 -7.005 1.512 1.00 0.00 O ATOM 0 H SER A 27 6.208 -7.721 2.975 1.00 0.00 H new ATOM 0 HA SER A 27 7.624 -7.355 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.362 -5.758 2.187 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.704 -7.130 3.221 1.00 0.00 H new ATOM 0 HG SER A 27 10.587 -6.488 1.964 1.00 0.00 H new ATOM 440 N LYS A 28 8.864 -9.487 0.505 1.00 0.00 N ATOM 441 CA LYS A 28 9.378 -10.883 0.380 1.00 0.00 C ATOM 442 C LYS A 28 10.906 -10.733 0.184 1.00 0.00 C ATOM 443 O LYS A 28 11.429 -9.643 0.325 1.00 0.00 O ATOM 444 CB LYS A 28 8.700 -11.549 -0.844 1.00 0.00 C ATOM 445 CG LYS A 28 8.633 -13.086 -0.646 1.00 0.00 C ATOM 446 CD LYS A 28 8.017 -13.782 -1.887 1.00 0.00 C ATOM 447 CE LYS A 28 8.950 -13.667 -3.113 1.00 0.00 C ATOM 448 NZ LYS A 28 10.271 -14.294 -2.826 1.00 0.00 N ATOM 0 H LYS A 28 9.218 -8.848 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 28 9.164 -11.509 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.695 -11.147 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.258 -11.315 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.635 -13.477 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.037 -13.316 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.833 -14.833 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.052 -13.332 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.490 -14.152 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.088 -12.618 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.559 -14.882 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.981 -13.551 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.196 -14.887 -1.975 1.00 0.00 H new ATOM 462 N GLU A 29 11.582 -11.809 -0.132 1.00 0.00 N ATOM 463 CA GLU A 29 13.067 -11.748 -0.342 1.00 0.00 C ATOM 464 C GLU A 29 13.407 -12.010 -1.817 1.00 0.00 C ATOM 465 O GLU A 29 12.533 -12.293 -2.613 1.00 0.00 O ATOM 466 CB GLU A 29 13.737 -12.811 0.559 1.00 0.00 C ATOM 467 CG GLU A 29 13.415 -12.586 2.066 1.00 0.00 C ATOM 468 CD GLU A 29 13.991 -11.250 2.586 1.00 0.00 C ATOM 469 OE1 GLU A 29 13.399 -10.228 2.283 1.00 0.00 O ATOM 470 OE2 GLU A 29 15.004 -11.326 3.263 1.00 0.00 O ATOM 0 H GLU A 29 11.169 -12.734 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 29 13.436 -10.756 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.400 -13.804 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.817 -12.783 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.335 -12.597 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.824 -13.410 2.651 1.00 0.00 H new ATOM 477 N LYS A 30 14.677 -11.913 -2.119 1.00 0.00 N ATOM 478 CA LYS A 30 15.184 -12.132 -3.513 1.00 0.00 C ATOM 479 C LYS A 30 15.862 -13.504 -3.591 1.00 0.00 C ATOM 480 O LYS A 30 15.304 -14.521 -3.229 1.00 0.00 O ATOM 481 CB LYS A 30 16.208 -11.021 -3.851 1.00 0.00 C ATOM 482 CG LYS A 30 15.588 -9.601 -3.680 1.00 0.00 C ATOM 483 CD LYS A 30 14.534 -9.273 -4.771 1.00 0.00 C ATOM 484 CE LYS A 30 15.200 -9.131 -6.161 1.00 0.00 C ATOM 485 NZ LYS A 30 16.214 -8.035 -6.144 1.00 0.00 N ATOM 0 H LYS A 30 15.404 -11.685 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 30 14.359 -12.098 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.080 -11.119 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.557 -11.146 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.122 -9.528 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.383 -8.856 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.781 -10.061 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.017 -8.348 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.676 -10.071 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.441 -8.921 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.441 -7.757 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.831 -7.216 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.077 -8.368 -5.669 1.00 0.00 H new TER 499 LYS A 30 HETATM 500 ZN ZN A 31 -1.521 -3.767 3.433 1.00 0.00 ZN