USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=15 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 180:sc= -1.4 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 152:sc= -1.43 (180deg=-0.245) USER MOD Set 2.1: A 7 TYR OH : rot 165:sc= 0.299 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 133:sc= 0.115 (180deg=-0.748) USER MOD Single : A 1 LYS N :NH3+ -120:sc= -1.25 (180deg=-3.66!) USER MOD Single : A 1 LYS NZ :NH3+ -124:sc= 0.0655 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 140:sc= -0.325 USER MOD Single : A 3 TYR OH : rot 30:sc= -0.621 USER MOD Single : A 4 GLN : amide:sc= -6.54! K(o=-6.5!,f=-2.1) USER MOD Single : A 6 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.6) USER MOD Single : A 12 SER OG : rot -160:sc= -2.01! USER MOD Single : A 16 SER OG : rot -73:sc= 1.09 USER MOD Single : A 17 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.39) USER MOD Single : A 20 THR OG1 : rot 92:sc= 0.356 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.069 (180deg=-0.514) USER MOD Single : A 24 THR OG1 : rot -23:sc= 0.11 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0644 (180deg=-0.527) USER MOD Single : A 27 SER OG : rot -68:sc= -0.0666 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.221 11.405 0.090 1.00 0.00 N ATOM 2 CA LYS A 1 -11.109 10.071 -0.569 1.00 0.00 C ATOM 3 C LYS A 1 -10.078 9.214 0.192 1.00 0.00 C ATOM 4 O LYS A 1 -9.386 9.700 1.068 1.00 0.00 O ATOM 5 CB LYS A 1 -10.653 10.251 -2.062 1.00 0.00 C ATOM 6 CG LYS A 1 -9.103 10.386 -2.223 1.00 0.00 C ATOM 7 CD LYS A 1 -8.522 11.549 -1.378 1.00 0.00 C ATOM 8 CE LYS A 1 -6.999 11.393 -1.294 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.427 12.415 -0.371 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.199 11.552 0.412 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.578 11.444 0.907 1.00 0.00 H new ATOM 0 H3 LYS A 1 -10.964 12.150 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.079 9.574 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.999 9.398 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.133 11.137 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.627 9.451 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.862 10.548 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.778 12.507 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.957 11.542 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.747 10.393 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.560 11.501 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.704 12.970 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.184 13.049 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.994 11.940 0.447 1.00 0.00 H new ATOM 25 N THR A 2 -10.014 7.960 -0.168 1.00 0.00 N ATOM 26 CA THR A 2 -9.054 7.020 0.488 1.00 0.00 C ATOM 27 C THR A 2 -8.257 6.236 -0.547 1.00 0.00 C ATOM 28 O THR A 2 -8.557 6.199 -1.724 1.00 0.00 O ATOM 29 CB THR A 2 -9.854 6.048 1.406 1.00 0.00 C ATOM 30 OG1 THR A 2 -8.963 5.057 1.906 1.00 0.00 O ATOM 31 CG2 THR A 2 -10.926 5.254 0.638 1.00 0.00 C ATOM 0 H THR A 2 -10.592 7.541 -0.897 1.00 0.00 H new ATOM 0 HA THR A 2 -8.343 7.593 1.083 1.00 0.00 H new ATOM 0 HB THR A 2 -10.318 6.663 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.171 4.875 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.452 4.593 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.636 5.946 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.450 4.660 -0.142 1.00 0.00 H new ATOM 39 N TYR A 3 -7.242 5.644 0.003 1.00 0.00 N ATOM 40 CA TYR A 3 -6.276 4.793 -0.737 1.00 0.00 C ATOM 41 C TYR A 3 -6.366 3.490 0.051 1.00 0.00 C ATOM 42 O TYR A 3 -6.136 3.501 1.244 1.00 0.00 O ATOM 43 CB TYR A 3 -4.865 5.388 -0.639 1.00 0.00 C ATOM 44 CG TYR A 3 -4.794 6.792 -1.253 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.120 6.991 -2.580 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.393 7.875 -0.496 1.00 0.00 C ATOM 47 CE1 TYR A 3 -5.042 8.247 -3.140 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.316 9.130 -1.057 1.00 0.00 C ATOM 49 CZ TYR A 3 -4.639 9.324 -2.384 1.00 0.00 C ATOM 50 OH TYR A 3 -4.553 10.578 -2.952 1.00 0.00 O ATOM 0 H TYR A 3 -7.031 5.721 0.998 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.483 4.688 -1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.562 5.433 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.158 4.733 -1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.439 6.154 -3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.138 7.737 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.299 8.388 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.000 9.968 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.213 10.657 -3.672 1.00 0.00 H new ATOM 60 N GLN A 4 -6.692 2.417 -0.619 1.00 0.00 N ATOM 61 CA GLN A 4 -6.804 1.104 0.085 1.00 0.00 C ATOM 62 C GLN A 4 -5.617 0.251 -0.356 1.00 0.00 C ATOM 63 O GLN A 4 -5.133 0.379 -1.465 1.00 0.00 O ATOM 64 CB GLN A 4 -8.140 0.435 -0.323 1.00 0.00 C ATOM 65 CG GLN A 4 -8.852 -0.226 0.882 1.00 0.00 C ATOM 66 CD GLN A 4 -7.981 -1.292 1.558 1.00 0.00 C ATOM 67 OE1 GLN A 4 -7.504 -2.223 0.944 1.00 0.00 O ATOM 68 NE2 GLN A 4 -7.746 -1.192 2.835 1.00 0.00 N ATOM 0 H GLN A 4 -6.885 2.391 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.793 1.222 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.798 1.182 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.949 -0.317 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.116 0.540 1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.784 -0.681 0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.139 -0.415 3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.169 -1.890 3.304 1.00 0.00 H new ATOM 77 N CYS A 5 -5.186 -0.598 0.536 1.00 0.00 N ATOM 78 CA CYS A 5 -4.036 -1.493 0.232 1.00 0.00 C ATOM 79 C CYS A 5 -4.471 -2.508 -0.836 1.00 0.00 C ATOM 80 O CYS A 5 -5.643 -2.809 -0.956 1.00 0.00 O ATOM 81 CB CYS A 5 -3.638 -2.181 1.541 1.00 0.00 C ATOM 82 SG CYS A 5 -2.204 -3.277 1.476 1.00 0.00 S ATOM 0 H CYS A 5 -5.584 -0.710 1.468 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.179 -0.945 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.443 -1.409 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.492 -2.758 1.896 1.00 0.00 H new ATOM 87 N GLN A 6 -3.517 -3.012 -1.576 1.00 0.00 N ATOM 88 CA GLN A 6 -3.834 -4.010 -2.651 1.00 0.00 C ATOM 89 C GLN A 6 -3.361 -5.399 -2.193 1.00 0.00 C ATOM 90 O GLN A 6 -3.068 -6.260 -3.001 1.00 0.00 O ATOM 91 CB GLN A 6 -3.101 -3.585 -3.952 1.00 0.00 C ATOM 92 CG GLN A 6 -3.436 -2.128 -4.369 1.00 0.00 C ATOM 93 CD GLN A 6 -4.915 -1.983 -4.756 1.00 0.00 C ATOM 94 OE1 GLN A 6 -5.804 -2.063 -3.933 1.00 0.00 O ATOM 95 NE2 GLN A 6 -5.218 -1.771 -6.009 1.00 0.00 N ATOM 0 H GLN A 6 -2.529 -2.777 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.906 -4.048 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.025 -3.681 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.376 -4.264 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.205 -1.450 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.808 -1.835 -5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.478 -1.702 -6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.194 -1.674 -6.288 1.00 0.00 H new ATOM 104 N TYR A 7 -3.309 -5.562 -0.891 1.00 0.00 N ATOM 105 CA TYR A 7 -2.870 -6.853 -0.278 1.00 0.00 C ATOM 106 C TYR A 7 -3.797 -7.209 0.889 1.00 0.00 C ATOM 107 O TYR A 7 -4.421 -8.253 0.898 1.00 0.00 O ATOM 108 CB TYR A 7 -1.428 -6.690 0.221 1.00 0.00 C ATOM 109 CG TYR A 7 -0.544 -6.175 -0.924 1.00 0.00 C ATOM 110 CD1 TYR A 7 -0.174 -6.998 -1.968 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.113 -4.864 -0.921 1.00 0.00 C ATOM 112 CE1 TYR A 7 0.612 -6.513 -2.994 1.00 0.00 C ATOM 113 CE2 TYR A 7 0.669 -4.384 -1.945 1.00 0.00 C ATOM 114 CZ TYR A 7 1.040 -5.202 -2.986 1.00 0.00 C ATOM 115 OH TYR A 7 1.831 -4.708 -4.002 1.00 0.00 O ATOM 0 H TYR A 7 -3.558 -4.839 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.915 -7.655 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.399 -5.993 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.048 -7.644 0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.501 -8.027 -1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.392 -4.210 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.894 -7.164 -3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.995 -3.354 -1.932 1.00 0.00 H new ATOM 0 HH TYR A 7 1.839 -3.729 -3.964 1.00 0.00 H new ATOM 125 N CYS A 8 -3.848 -6.305 1.840 1.00 0.00 N ATOM 126 CA CYS A 8 -4.701 -6.488 3.058 1.00 0.00 C ATOM 127 C CYS A 8 -5.801 -5.420 3.098 1.00 0.00 C ATOM 128 O CYS A 8 -6.106 -4.803 2.095 1.00 0.00 O ATOM 129 CB CYS A 8 -3.826 -6.374 4.320 1.00 0.00 C ATOM 130 SG CYS A 8 -3.255 -4.727 4.801 1.00 0.00 S ATOM 0 H CYS A 8 -3.323 -5.431 1.822 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.165 -7.474 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.387 -6.792 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.949 -7.005 4.178 1.00 0.00 H new ATOM 135 N GLU A 9 -6.355 -5.245 4.272 1.00 0.00 N ATOM 136 CA GLU A 9 -7.445 -4.247 4.478 1.00 0.00 C ATOM 137 C GLU A 9 -6.957 -3.052 5.320 1.00 0.00 C ATOM 138 O GLU A 9 -7.499 -2.737 6.362 1.00 0.00 O ATOM 139 CB GLU A 9 -8.635 -4.963 5.177 1.00 0.00 C ATOM 140 CG GLU A 9 -9.291 -6.048 4.270 1.00 0.00 C ATOM 141 CD GLU A 9 -8.288 -7.138 3.835 1.00 0.00 C ATOM 142 OE1 GLU A 9 -7.777 -7.802 4.721 1.00 0.00 O ATOM 143 OE2 GLU A 9 -8.089 -7.248 2.635 1.00 0.00 O ATOM 0 H GLU A 9 -6.091 -5.762 5.111 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.762 -3.849 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.285 -5.427 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.386 -4.224 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.119 -6.513 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.712 -5.571 3.385 1.00 0.00 H new ATOM 150 N PHE A 10 -5.927 -2.430 4.807 1.00 0.00 N ATOM 151 CA PHE A 10 -5.307 -1.238 5.465 1.00 0.00 C ATOM 152 C PHE A 10 -5.697 -0.060 4.570 1.00 0.00 C ATOM 153 O PHE A 10 -5.363 -0.054 3.400 1.00 0.00 O ATOM 154 CB PHE A 10 -3.760 -1.387 5.512 1.00 0.00 C ATOM 155 CG PHE A 10 -3.132 -0.035 5.926 1.00 0.00 C ATOM 156 CD1 PHE A 10 -3.242 0.439 7.220 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.471 0.736 4.985 1.00 0.00 C ATOM 158 CE1 PHE A 10 -2.699 1.663 7.567 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.933 1.959 5.335 1.00 0.00 C ATOM 160 CZ PHE A 10 -2.047 2.420 6.622 1.00 0.00 C ATOM 0 H PHE A 10 -5.477 -2.706 3.934 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.644 -1.111 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.479 -2.165 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.382 -1.694 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.755 -0.150 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.375 0.379 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.787 2.024 8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.421 2.554 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.625 3.377 6.893 1.00 0.00 H new ATOM 170 N ARG A 11 -6.393 0.890 5.141 1.00 0.00 N ATOM 171 CA ARG A 11 -6.827 2.087 4.357 1.00 0.00 C ATOM 172 C ARG A 11 -6.221 3.341 4.976 1.00 0.00 C ATOM 173 O ARG A 11 -6.189 3.507 6.182 1.00 0.00 O ATOM 174 CB ARG A 11 -8.361 2.131 4.366 1.00 0.00 C ATOM 175 CG ARG A 11 -8.950 2.267 5.791 1.00 0.00 C ATOM 176 CD ARG A 11 -10.455 1.963 5.705 1.00 0.00 C ATOM 177 NE ARG A 11 -11.050 2.796 4.612 1.00 0.00 N ATOM 178 CZ ARG A 11 -11.484 2.210 3.525 1.00 0.00 C ATOM 179 NH1 ARG A 11 -12.456 1.346 3.616 1.00 0.00 N ATOM 180 NH2 ARG A 11 -10.931 2.505 2.381 1.00 0.00 N ATOM 0 H ARG A 11 -6.681 0.889 6.120 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.483 2.031 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.699 2.969 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.748 1.223 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.459 1.576 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.784 3.272 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.616 0.904 5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.940 2.184 6.656 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.116 3.809 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.867 1.135 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.805 0.881 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.171 3.184 2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.259 2.056 1.525 1.00 0.00 H new ATOM 194 N SER A 12 -5.754 4.182 4.093 1.00 0.00 N ATOM 195 CA SER A 12 -5.102 5.477 4.481 1.00 0.00 C ATOM 196 C SER A 12 -5.681 6.575 3.572 1.00 0.00 C ATOM 197 O SER A 12 -6.436 6.256 2.677 1.00 0.00 O ATOM 198 CB SER A 12 -3.585 5.180 4.305 1.00 0.00 C ATOM 199 OG SER A 12 -3.463 3.930 4.932 1.00 0.00 O ATOM 0 H SER A 12 -5.797 4.024 3.086 1.00 0.00 H new ATOM 0 HA SER A 12 -5.275 5.836 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.295 5.141 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.962 5.938 4.780 1.00 0.00 H new ATOM 0 HG SER A 12 -2.525 3.773 5.169 1.00 0.00 H new ATOM 205 N ALA A 13 -5.348 7.820 3.807 1.00 0.00 N ATOM 206 CA ALA A 13 -5.890 8.927 2.945 1.00 0.00 C ATOM 207 C ALA A 13 -4.782 9.925 2.582 1.00 0.00 C ATOM 208 O ALA A 13 -5.046 11.080 2.309 1.00 0.00 O ATOM 209 CB ALA A 13 -7.019 9.632 3.717 1.00 0.00 C ATOM 0 H ALA A 13 -4.725 8.122 4.556 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.277 8.513 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.427 10.440 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.808 8.915 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.623 10.042 4.646 1.00 0.00 H new ATOM 215 N ASP A 14 -3.572 9.431 2.575 1.00 0.00 N ATOM 216 CA ASP A 14 -2.380 10.269 2.253 1.00 0.00 C ATOM 217 C ASP A 14 -1.730 9.836 0.939 1.00 0.00 C ATOM 218 O ASP A 14 -1.672 10.628 0.019 1.00 0.00 O ATOM 219 CB ASP A 14 -1.403 10.124 3.411 1.00 0.00 C ATOM 220 CG ASP A 14 -0.091 10.835 3.077 1.00 0.00 C ATOM 221 OD1 ASP A 14 -0.079 12.055 3.065 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.825 10.072 2.847 1.00 0.00 O ATOM 0 H ASP A 14 -3.356 8.457 2.785 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.677 11.310 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.835 10.547 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.215 9.069 3.609 1.00 0.00 H new ATOM 227 N SER A 15 -1.272 8.604 0.936 1.00 0.00 N ATOM 228 CA SER A 15 -0.590 7.914 -0.211 1.00 0.00 C ATOM 229 C SER A 15 0.843 7.532 0.181 1.00 0.00 C ATOM 230 O SER A 15 1.158 6.358 0.193 1.00 0.00 O ATOM 231 CB SER A 15 -0.510 8.808 -1.480 1.00 0.00 C ATOM 232 OG SER A 15 0.032 7.948 -2.465 1.00 0.00 O ATOM 0 H SER A 15 -1.353 8.002 1.755 1.00 0.00 H new ATOM 0 HA SER A 15 -1.188 7.031 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.493 9.180 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.125 9.679 -1.316 1.00 0.00 H new ATOM 0 HG SER A 15 0.118 8.434 -3.312 1.00 0.00 H new ATOM 238 N SER A 16 1.685 8.495 0.498 1.00 0.00 N ATOM 239 CA SER A 16 3.096 8.143 0.886 1.00 0.00 C ATOM 240 C SER A 16 3.030 7.128 2.040 1.00 0.00 C ATOM 241 O SER A 16 3.781 6.173 2.075 1.00 0.00 O ATOM 242 CB SER A 16 3.871 9.430 1.317 1.00 0.00 C ATOM 243 OG SER A 16 3.399 9.823 2.594 1.00 0.00 O ATOM 0 H SER A 16 1.463 9.490 0.505 1.00 0.00 H new ATOM 0 HA SER A 16 3.629 7.706 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.943 9.235 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.715 10.229 0.592 1.00 0.00 H new ATOM 0 HG SER A 16 2.501 10.206 2.507 1.00 0.00 H new ATOM 249 N ASN A 17 2.129 7.372 2.962 1.00 0.00 N ATOM 250 CA ASN A 17 1.973 6.443 4.124 1.00 0.00 C ATOM 251 C ASN A 17 1.633 5.039 3.592 1.00 0.00 C ATOM 252 O ASN A 17 2.293 4.079 3.932 1.00 0.00 O ATOM 253 CB ASN A 17 0.836 6.928 5.049 1.00 0.00 C ATOM 254 CG ASN A 17 1.192 8.287 5.670 1.00 0.00 C ATOM 255 OD1 ASN A 17 2.293 8.515 6.127 1.00 0.00 O ATOM 256 ND2 ASN A 17 0.286 9.223 5.715 1.00 0.00 N ATOM 0 H ASN A 17 1.497 8.172 2.959 1.00 0.00 H new ATOM 0 HA ASN A 17 2.902 6.418 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.091 7.012 4.482 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.663 6.195 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.508 10.128 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.645 9.050 5.336 1.00 0.00 H new ATOM 263 N LEU A 18 0.614 4.947 2.766 1.00 0.00 N ATOM 264 CA LEU A 18 0.214 3.616 2.201 1.00 0.00 C ATOM 265 C LEU A 18 1.404 2.921 1.522 1.00 0.00 C ATOM 266 O LEU A 18 1.637 1.747 1.730 1.00 0.00 O ATOM 267 CB LEU A 18 -0.944 3.843 1.196 1.00 0.00 C ATOM 268 CG LEU A 18 -1.474 2.497 0.601 1.00 0.00 C ATOM 269 CD1 LEU A 18 -1.885 1.511 1.714 1.00 0.00 C ATOM 270 CD2 LEU A 18 -2.728 2.797 -0.243 1.00 0.00 C ATOM 0 H LEU A 18 0.043 5.735 2.460 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.118 2.960 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.760 4.365 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.601 4.487 0.387 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.678 2.050 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.248 0.587 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.023 1.294 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.675 1.955 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.112 1.869 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.492 3.251 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.468 3.484 -1.049 1.00 0.00 H new ATOM 282 N LYS A 19 2.133 3.647 0.717 1.00 0.00 N ATOM 283 CA LYS A 19 3.311 3.023 0.037 1.00 0.00 C ATOM 284 C LYS A 19 4.245 2.450 1.104 1.00 0.00 C ATOM 285 O LYS A 19 4.620 1.301 1.011 1.00 0.00 O ATOM 286 CB LYS A 19 4.036 4.094 -0.807 1.00 0.00 C ATOM 287 CG LYS A 19 3.111 4.532 -1.962 1.00 0.00 C ATOM 288 CD LYS A 19 3.870 5.502 -2.891 1.00 0.00 C ATOM 289 CE LYS A 19 2.998 5.832 -4.117 1.00 0.00 C ATOM 290 NZ LYS A 19 1.769 6.551 -3.690 1.00 0.00 N ATOM 0 H LYS A 19 1.970 4.630 0.501 1.00 0.00 H new ATOM 0 HA LYS A 19 2.991 2.219 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.295 4.951 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.969 3.694 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.776 3.660 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.219 5.016 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.120 6.416 -2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.811 5.054 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.562 6.445 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.729 4.914 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.440 7.166 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.027 5.861 -3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.979 7.130 -2.852 1.00 0.00 H new ATOM 304 N THR A 20 4.607 3.238 2.084 1.00 0.00 N ATOM 305 CA THR A 20 5.510 2.739 3.176 1.00 0.00 C ATOM 306 C THR A 20 4.912 1.443 3.741 1.00 0.00 C ATOM 307 O THR A 20 5.603 0.449 3.847 1.00 0.00 O ATOM 308 CB THR A 20 5.598 3.849 4.237 1.00 0.00 C ATOM 309 OG1 THR A 20 6.130 4.940 3.499 1.00 0.00 O ATOM 310 CG2 THR A 20 6.664 3.557 5.307 1.00 0.00 C ATOM 0 H THR A 20 4.317 4.211 2.179 1.00 0.00 H new ATOM 0 HA THR A 20 6.515 2.513 2.820 1.00 0.00 H new ATOM 0 HB THR A 20 4.634 3.986 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.396 5.480 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.685 4.371 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.422 2.624 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.641 3.468 4.832 1.00 0.00 H new ATOM 318 N HIS A 21 3.646 1.496 4.087 1.00 0.00 N ATOM 319 CA HIS A 21 2.948 0.293 4.638 1.00 0.00 C ATOM 320 C HIS A 21 3.298 -0.923 3.748 1.00 0.00 C ATOM 321 O HIS A 21 3.827 -1.898 4.242 1.00 0.00 O ATOM 322 CB HIS A 21 1.425 0.586 4.646 1.00 0.00 C ATOM 323 CG HIS A 21 0.650 -0.713 4.841 1.00 0.00 C ATOM 324 ND1 HIS A 21 0.467 -1.328 5.962 1.00 0.00 N ATOM 325 CD2 HIS A 21 0.017 -1.495 3.899 1.00 0.00 C ATOM 326 CE1 HIS A 21 -0.224 -2.403 5.753 1.00 0.00 C ATOM 327 NE2 HIS A 21 -0.519 -2.543 4.484 1.00 0.00 N ATOM 0 H HIS A 21 3.063 2.330 4.010 1.00 0.00 H new ATOM 0 HA HIS A 21 3.262 0.068 5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.184 1.287 5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.131 1.058 3.709 1.00 0.00 H new ATOM 0 HD1 HIS A 21 0.813 -1.016 6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.031 -1.280 2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.520 -3.096 6.527 1.00 0.00 H new ATOM 335 N ILE A 22 2.993 -0.816 2.473 1.00 0.00 N ATOM 336 CA ILE A 22 3.285 -1.923 1.507 1.00 0.00 C ATOM 337 C ILE A 22 4.741 -2.421 1.627 1.00 0.00 C ATOM 338 O ILE A 22 4.979 -3.608 1.699 1.00 0.00 O ATOM 339 CB ILE A 22 2.992 -1.403 0.063 1.00 0.00 C ATOM 340 CG1 ILE A 22 1.464 -1.102 -0.047 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.406 -2.488 -0.973 1.00 0.00 C ATOM 342 CD1 ILE A 22 1.112 -0.417 -1.383 1.00 0.00 C ATOM 0 H ILE A 22 2.549 0.003 2.058 1.00 0.00 H new ATOM 0 HA ILE A 22 2.646 -2.776 1.736 1.00 0.00 H new ATOM 0 HB ILE A 22 3.561 -0.496 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.903 -2.032 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.159 -0.463 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.202 -2.126 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.470 -2.700 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.836 -3.399 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.040 -0.224 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.654 0.526 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.393 -1.068 -2.211 1.00 0.00 H new ATOM 354 N LYS A 23 5.675 -1.506 1.643 1.00 0.00 N ATOM 355 CA LYS A 23 7.119 -1.876 1.753 1.00 0.00 C ATOM 356 C LYS A 23 7.476 -2.673 3.017 1.00 0.00 C ATOM 357 O LYS A 23 8.316 -3.549 2.944 1.00 0.00 O ATOM 358 CB LYS A 23 7.975 -0.580 1.693 1.00 0.00 C ATOM 359 CG LYS A 23 8.963 -0.730 0.517 1.00 0.00 C ATOM 360 CD LYS A 23 9.904 0.484 0.436 1.00 0.00 C ATOM 361 CE LYS A 23 10.793 0.343 -0.816 1.00 0.00 C ATOM 362 NZ LYS A 23 9.957 0.425 -2.050 1.00 0.00 N ATOM 0 H LYS A 23 5.496 -0.504 1.584 1.00 0.00 H new ATOM 0 HA LYS A 23 7.335 -2.539 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.339 0.293 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.513 -0.432 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.548 -1.641 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.411 -0.831 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.326 1.407 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.521 0.543 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.548 1.129 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.324 -0.609 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.557 0.685 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.513 -0.498 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.218 1.145 -1.921 1.00 0.00 H new ATOM 376 N THR A 24 6.854 -2.362 4.127 1.00 0.00 N ATOM 377 CA THR A 24 7.174 -3.119 5.388 1.00 0.00 C ATOM 378 C THR A 24 6.363 -4.415 5.581 1.00 0.00 C ATOM 379 O THR A 24 6.909 -5.403 6.034 1.00 0.00 O ATOM 380 CB THR A 24 6.930 -2.222 6.630 1.00 0.00 C ATOM 381 OG1 THR A 24 5.558 -1.842 6.613 1.00 0.00 O ATOM 382 CG2 THR A 24 7.705 -0.899 6.532 1.00 0.00 C ATOM 0 H THR A 24 6.149 -1.630 4.220 1.00 0.00 H new ATOM 0 HA THR A 24 8.222 -3.400 5.285 1.00 0.00 H new ATOM 0 HB THR A 24 7.235 -2.778 7.516 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.213 -1.901 5.697 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.510 -0.296 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.773 -1.107 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.383 -0.354 5.645 1.00 0.00 H new ATOM 390 N LYS A 25 5.100 -4.387 5.235 1.00 0.00 N ATOM 391 CA LYS A 25 4.219 -5.594 5.388 1.00 0.00 C ATOM 392 C LYS A 25 4.028 -6.474 4.148 1.00 0.00 C ATOM 393 O LYS A 25 3.744 -7.649 4.286 1.00 0.00 O ATOM 394 CB LYS A 25 2.825 -5.123 5.865 1.00 0.00 C ATOM 395 CG LYS A 25 2.854 -4.666 7.347 1.00 0.00 C ATOM 396 CD LYS A 25 3.177 -5.860 8.294 1.00 0.00 C ATOM 397 CE LYS A 25 3.044 -5.417 9.763 1.00 0.00 C ATOM 398 NZ LYS A 25 1.637 -5.023 10.065 1.00 0.00 N ATOM 0 H LYS A 25 4.632 -3.568 4.847 1.00 0.00 H new ATOM 0 HA LYS A 25 4.741 -6.228 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.483 -4.301 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.106 -5.934 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.602 -3.883 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.890 -4.234 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.498 -6.689 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.187 -6.222 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.350 -6.229 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.712 -4.578 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.476 -5.072 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.470 -4.051 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.983 -5.671 9.581 1.00 0.00 H new ATOM 412 N HIS A 26 4.182 -5.908 2.981 1.00 0.00 N ATOM 413 CA HIS A 26 4.008 -6.683 1.711 1.00 0.00 C ATOM 414 C HIS A 26 5.275 -6.612 0.844 1.00 0.00 C ATOM 415 O HIS A 26 5.307 -5.958 -0.182 1.00 0.00 O ATOM 416 CB HIS A 26 2.789 -6.084 0.996 1.00 0.00 C ATOM 417 CG HIS A 26 1.572 -6.081 1.930 1.00 0.00 C ATOM 418 ND1 HIS A 26 1.057 -7.107 2.530 1.00 0.00 N ATOM 419 CD2 HIS A 26 0.777 -5.024 2.318 1.00 0.00 C ATOM 420 CE1 HIS A 26 0.027 -6.734 3.229 1.00 0.00 C ATOM 421 NE2 HIS A 26 -0.176 -5.446 3.116 1.00 0.00 N ATOM 0 H HIS A 26 4.425 -4.926 2.849 1.00 0.00 H new ATOM 0 HA HIS A 26 3.846 -7.742 1.913 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.011 -5.067 0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.566 -6.661 0.098 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.407 -8.063 2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.918 -3.998 2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.581 -7.399 3.824 1.00 0.00 H new ATOM 429 N SER A 27 6.290 -7.306 1.296 1.00 0.00 N ATOM 430 CA SER A 27 7.602 -7.337 0.567 1.00 0.00 C ATOM 431 C SER A 27 7.793 -8.539 -0.371 1.00 0.00 C ATOM 432 O SER A 27 8.850 -8.674 -0.960 1.00 0.00 O ATOM 433 CB SER A 27 8.730 -7.333 1.602 1.00 0.00 C ATOM 434 OG SER A 27 8.578 -6.121 2.326 1.00 0.00 O ATOM 0 H SER A 27 6.267 -7.861 2.151 1.00 0.00 H new ATOM 0 HA SER A 27 7.617 -6.455 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.659 -8.196 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.706 -7.381 1.119 1.00 0.00 H new ATOM 0 HG SER A 27 8.777 -5.362 1.739 1.00 0.00 H new ATOM 440 N LYS A 28 6.793 -9.376 -0.497 1.00 0.00 N ATOM 441 CA LYS A 28 6.914 -10.567 -1.402 1.00 0.00 C ATOM 442 C LYS A 28 5.865 -10.392 -2.512 1.00 0.00 C ATOM 443 O LYS A 28 5.105 -11.278 -2.852 1.00 0.00 O ATOM 444 CB LYS A 28 6.679 -11.851 -0.550 1.00 0.00 C ATOM 445 CG LYS A 28 5.267 -11.918 0.081 1.00 0.00 C ATOM 446 CD LYS A 28 5.164 -13.239 0.865 1.00 0.00 C ATOM 447 CE LYS A 28 3.759 -13.386 1.461 1.00 0.00 C ATOM 448 NZ LYS A 28 3.650 -14.687 2.182 1.00 0.00 N ATOM 0 H LYS A 28 5.899 -9.289 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 28 7.898 -10.657 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.830 -12.728 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.426 -11.894 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.104 -11.067 0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.500 -11.872 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.378 -14.080 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.909 -13.259 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.556 -12.562 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.011 -13.334 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.696 -14.782 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.825 -15.468 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.353 -14.720 2.948 1.00 0.00 H new ATOM 462 N GLU A 29 5.889 -9.192 -3.038 1.00 0.00 N ATOM 463 CA GLU A 29 4.959 -8.778 -4.133 1.00 0.00 C ATOM 464 C GLU A 29 5.743 -8.249 -5.346 1.00 0.00 C ATOM 465 O GLU A 29 5.176 -8.064 -6.406 1.00 0.00 O ATOM 466 CB GLU A 29 4.021 -7.678 -3.582 1.00 0.00 C ATOM 467 CG GLU A 29 3.367 -8.104 -2.238 1.00 0.00 C ATOM 468 CD GLU A 29 2.374 -9.284 -2.350 1.00 0.00 C ATOM 469 OE1 GLU A 29 2.102 -9.739 -3.450 1.00 0.00 O ATOM 470 OE2 GLU A 29 1.926 -9.669 -1.281 1.00 0.00 O ATOM 0 H GLU A 29 6.536 -8.460 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 29 4.378 -9.638 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.585 -6.757 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.243 -7.463 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.155 -8.375 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.845 -7.246 -1.815 1.00 0.00 H new ATOM 477 N LYS A 30 7.021 -8.019 -5.154 1.00 0.00 N ATOM 478 CA LYS A 30 7.900 -7.499 -6.248 1.00 0.00 C ATOM 479 C LYS A 30 8.981 -8.533 -6.579 1.00 0.00 C ATOM 480 O LYS A 30 9.512 -8.589 -7.672 1.00 0.00 O ATOM 481 CB LYS A 30 8.578 -6.172 -5.795 1.00 0.00 C ATOM 482 CG LYS A 30 7.549 -5.044 -5.484 1.00 0.00 C ATOM 483 CD LYS A 30 6.855 -5.225 -4.101 1.00 0.00 C ATOM 484 CE LYS A 30 5.731 -4.178 -3.931 1.00 0.00 C ATOM 485 NZ LYS A 30 4.735 -4.280 -5.038 1.00 0.00 N ATOM 0 H LYS A 30 7.500 -8.173 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 30 7.292 -7.312 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.181 -6.362 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.258 -5.832 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.056 -4.079 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.790 -5.025 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.441 -6.230 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.587 -5.117 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.232 -4.326 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.161 -3.177 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.773 -4.272 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.850 -3.473 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.886 -5.166 -5.561 1.00 0.00 H new TER 499 LYS A 30 HETATM 500 ZN ZN A 31 -1.485 -4.005 3.534 1.00 0.00 ZN