USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 254 hydrogens (15 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 10 ALC H2 : A 10 ALC N : A 9 GLU C :(H bumps) USER MOD NoAdj-H: A 10 ALC H : A 10 ALC N : A 9 GLU C :(H bumps) 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 -84:sc= 0.532 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -114:sc= -2.5! (180deg=-4.5!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 171:sc= -0.632 (180deg=-0.21) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -120:sc= -2.3 (180deg=-4.91!) USER MOD Set 3.1: A 12 SER OG : rot -91:sc= 0.41 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.275 K(o=0.69,f=-2.2!) USER MOD Set 4.1: A 1 LYS NZ :NH3+ -136:sc= 1.4 (180deg=-0.39) USER MOD Set 4.2: A 3 TYR OH : rot 180:sc= 0.00324 USER MOD Single : A 1 LYS N :NH3+ 130:sc= 0.0857 (180deg=-0.116) USER MOD Single : A 2 THR OG1 : rot 130:sc= -0.465 USER MOD Single : A 4 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.8!) USER MOD Single : A 6 GLN : amide:sc= -3.76! C(o=-3.8!,f=-2.9!) USER MOD Single : A 7 TYR OH : rot 46:sc= -0.159 USER MOD Single : A 15 SER OG : rot -61:sc= 0.533 USER MOD Single : A 16 SER OG : rot -101:sc= 0.544 USER MOD Single : A 20 THR OG1 : rot -87:sc= -0.191 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00895 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= -0.812 (180deg=-2.49!) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.139 (180deg=-0.689) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.721 16.583 -4.852 1.00 0.00 N ATOM 2 CA LYS A 1 -5.598 15.443 -4.462 1.00 0.00 C ATOM 3 C LYS A 1 -4.767 14.173 -4.220 1.00 0.00 C ATOM 4 O LYS A 1 -3.581 14.141 -4.490 1.00 0.00 O ATOM 5 CB LYS A 1 -6.647 15.174 -5.579 1.00 0.00 C ATOM 6 CG LYS A 1 -5.977 14.754 -6.920 1.00 0.00 C ATOM 7 CD LYS A 1 -7.065 14.492 -8.003 1.00 0.00 C ATOM 8 CE LYS A 1 -7.942 13.269 -7.624 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.120 12.028 -7.622 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.099 17.034 -5.709 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.691 17.278 -4.079 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.760 16.233 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.110 15.707 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.330 14.389 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.245 16.071 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.298 15.537 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.378 13.856 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.694 15.375 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.589 14.318 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.386 13.421 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.764 13.168 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.643 11.264 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.228 12.202 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.914 11.750 -6.641 1.00 0.00 H new ATOM 25 N THR A 2 -5.433 13.163 -3.717 1.00 0.00 N ATOM 26 CA THR A 2 -4.763 11.861 -3.424 1.00 0.00 C ATOM 27 C THR A 2 -5.405 10.705 -4.182 1.00 0.00 C ATOM 28 O THR A 2 -6.427 10.839 -4.825 1.00 0.00 O ATOM 29 CB THR A 2 -4.822 11.612 -1.887 1.00 0.00 C ATOM 30 OG1 THR A 2 -4.222 10.346 -1.633 1.00 0.00 O ATOM 31 CG2 THR A 2 -6.279 11.504 -1.379 1.00 0.00 C ATOM 0 H THR A 2 -6.428 13.188 -3.494 1.00 0.00 H new ATOM 0 HA THR A 2 -3.727 11.914 -3.758 1.00 0.00 H new ATOM 0 HB THR A 2 -4.321 12.442 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.556 10.437 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.277 11.330 -0.303 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.810 12.431 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.778 10.674 -1.879 1.00 0.00 H new ATOM 39 N TYR A 3 -4.717 9.607 -4.052 1.00 0.00 N ATOM 40 CA TYR A 3 -5.107 8.316 -4.681 1.00 0.00 C ATOM 41 C TYR A 3 -4.941 7.236 -3.608 1.00 0.00 C ATOM 42 O TYR A 3 -4.334 7.479 -2.580 1.00 0.00 O ATOM 43 CB TYR A 3 -4.178 8.020 -5.884 1.00 0.00 C ATOM 44 CG TYR A 3 -4.314 9.130 -6.946 1.00 0.00 C ATOM 45 CD1 TYR A 3 -3.788 10.391 -6.727 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.972 8.883 -8.135 1.00 0.00 C ATOM 47 CE1 TYR A 3 -3.917 11.382 -7.673 1.00 0.00 C ATOM 48 CE2 TYR A 3 -5.105 9.877 -9.083 1.00 0.00 C ATOM 49 CZ TYR A 3 -4.577 11.131 -8.857 1.00 0.00 C ATOM 50 OH TYR A 3 -4.712 12.134 -9.796 1.00 0.00 O ATOM 0 H TYR A 3 -3.857 9.551 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.133 8.346 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.144 7.954 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.433 7.055 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.270 10.600 -5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.386 7.904 -8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.499 12.361 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.625 9.672 -10.007 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.201 11.791 -10.573 1.00 0.00 H new ATOM 60 N GLN A 4 -5.477 6.079 -3.901 1.00 0.00 N ATOM 61 CA GLN A 4 -5.409 4.910 -2.968 1.00 0.00 C ATOM 62 C GLN A 4 -4.504 3.839 -3.581 1.00 0.00 C ATOM 63 O GLN A 4 -4.134 3.973 -4.730 1.00 0.00 O ATOM 64 CB GLN A 4 -6.821 4.334 -2.778 1.00 0.00 C ATOM 65 CG GLN A 4 -7.686 5.247 -1.885 1.00 0.00 C ATOM 66 CD GLN A 4 -7.368 5.060 -0.386 1.00 0.00 C ATOM 67 OE1 GLN A 4 -7.996 5.660 0.461 1.00 0.00 O ATOM 68 NE2 GLN A 4 -6.414 4.254 0.002 1.00 0.00 N ATOM 0 H GLN A 4 -5.973 5.890 -4.772 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.010 5.225 -2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.300 4.213 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.754 3.342 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.521 6.288 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.740 5.033 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.870 3.737 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.214 4.142 0.996 1.00 0.00 H new ATOM 77 N CYS A 5 -4.163 2.816 -2.831 1.00 0.00 N ATOM 78 CA CYS A 5 -3.286 1.743 -3.403 1.00 0.00 C ATOM 79 C CYS A 5 -4.150 0.740 -4.191 1.00 0.00 C ATOM 80 O CYS A 5 -5.363 0.787 -4.121 1.00 0.00 O ATOM 81 CB CYS A 5 -2.575 1.044 -2.248 1.00 0.00 C ATOM 82 SG CYS A 5 -1.511 -0.356 -2.669 1.00 0.00 S ATOM 0 H CYS A 5 -4.449 2.678 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.549 2.170 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.970 1.784 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.332 0.696 -1.545 1.00 0.00 H new ATOM 87 N GLN A 6 -3.496 -0.137 -4.916 1.00 0.00 N ATOM 88 CA GLN A 6 -4.225 -1.168 -5.734 1.00 0.00 C ATOM 89 C GLN A 6 -4.106 -2.557 -5.082 1.00 0.00 C ATOM 90 O GLN A 6 -4.399 -3.566 -5.693 1.00 0.00 O ATOM 91 CB GLN A 6 -3.615 -1.208 -7.169 1.00 0.00 C ATOM 92 CG GLN A 6 -3.822 0.130 -7.926 1.00 0.00 C ATOM 93 CD GLN A 6 -3.081 1.282 -7.237 1.00 0.00 C ATOM 94 OE1 GLN A 6 -1.873 1.291 -7.114 1.00 0.00 O ATOM 95 NE2 GLN A 6 -3.783 2.275 -6.772 1.00 0.00 N ATOM 0 H GLN A 6 -2.479 -0.185 -4.978 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.280 -0.899 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.549 -1.427 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.073 -2.019 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.467 0.028 -8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.886 0.359 -7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.798 2.273 -6.872 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.318 3.055 -6.307 1.00 0.00 H new ATOM 104 N TYR A 7 -3.675 -2.544 -3.846 1.00 0.00 N ATOM 105 CA TYR A 7 -3.493 -3.791 -3.044 1.00 0.00 C ATOM 106 C TYR A 7 -4.168 -3.610 -1.687 1.00 0.00 C ATOM 107 O TYR A 7 -4.955 -4.431 -1.256 1.00 0.00 O ATOM 108 CB TYR A 7 -1.997 -4.062 -2.824 1.00 0.00 C ATOM 109 CG TYR A 7 -1.309 -4.480 -4.131 1.00 0.00 C ATOM 110 CD1 TYR A 7 -1.072 -3.565 -5.141 1.00 0.00 C ATOM 111 CD2 TYR A 7 -0.917 -5.794 -4.315 1.00 0.00 C ATOM 112 CE1 TYR A 7 -0.459 -3.960 -6.311 1.00 0.00 C ATOM 113 CE2 TYR A 7 -0.304 -6.188 -5.483 1.00 0.00 C ATOM 114 CZ TYR A 7 -0.072 -5.274 -6.486 1.00 0.00 C ATOM 115 OH TYR A 7 0.539 -5.672 -7.657 1.00 0.00 O ATOM 0 H TYR A 7 -3.434 -1.690 -3.344 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.936 -4.631 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.517 -3.167 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.873 -4.847 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.369 -2.535 -5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.094 -6.519 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.281 -3.238 -7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.004 -7.217 -5.613 1.00 0.00 H new ATOM 0 HH TYR A 7 1.230 -5.022 -7.902 1.00 0.00 H new ATOM 125 N CYS A 8 -3.814 -2.512 -1.068 1.00 0.00 N ATOM 126 CA CYS A 8 -4.353 -2.146 0.276 1.00 0.00 C ATOM 127 C CYS A 8 -5.117 -0.817 0.200 1.00 0.00 C ATOM 128 O CYS A 8 -5.531 -0.390 -0.862 1.00 0.00 O ATOM 129 CB CYS A 8 -3.177 -2.025 1.235 1.00 0.00 C ATOM 130 SG CYS A 8 -2.210 -0.508 1.069 1.00 0.00 S ATOM 0 H CYS A 8 -3.154 -1.835 -1.451 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.047 -2.911 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.552 -2.089 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.515 -2.878 1.085 1.00 0.00 H new ATOM 135 N GLU A 9 -5.269 -0.212 1.351 1.00 0.00 N ATOM 136 CA GLU A 9 -5.989 1.092 1.458 1.00 0.00 C ATOM 137 C GLU A 9 -4.974 2.178 1.871 1.00 0.00 C ATOM 138 O GLU A 9 -5.155 2.866 2.859 1.00 0.00 O ATOM 139 CB GLU A 9 -7.108 0.953 2.520 1.00 0.00 C ATOM 140 CG GLU A 9 -8.058 2.178 2.426 1.00 0.00 C ATOM 141 CD GLU A 9 -8.915 2.280 3.699 1.00 0.00 C ATOM 142 OE1 GLU A 9 -9.728 1.390 3.897 1.00 0.00 O ATOM 143 OE2 GLU A 9 -8.702 3.252 4.403 1.00 0.00 O ATOM 0 H GLU A 9 -4.917 -0.575 2.237 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.440 1.372 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.667 0.031 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.673 0.891 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.476 3.090 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.702 2.083 1.551 1.00 0.00 H new HETATM 150 N ALC A 10 -3.923 2.300 1.097 1.00 0.00 N HETATM 151 CA ALC A 10 -2.882 3.333 1.415 1.00 0.00 C HETATM 152 C ALC A 10 -3.119 4.550 0.538 1.00 0.00 C HETATM 153 O ALC A 10 -3.636 4.418 -0.551 1.00 0.00 O HETATM 154 CB ALC A 10 -1.509 2.798 1.024 1.00 0.00 C HETATM 155 CG ALC A 10 -0.395 3.583 1.796 1.00 0.00 C HETATM 156 CD2 ALC A 10 0.173 2.721 2.964 1.00 0.00 C HETATM 157 CE2 ALC A 10 1.644 3.086 3.306 1.00 0.00 C HETATM 158 CZ ALC A 10 1.933 4.573 2.982 1.00 0.00 C HETATM 159 CE1 ALC A 10 1.847 4.822 1.453 1.00 0.00 C HETATM 160 CD1 ALC A 10 0.730 3.967 0.782 1.00 0.00 C HETATM 0 HE23 ALC A 10 2.323 2.448 2.740 1.00 0.00 H new HETATM 0 HE22 ALC A 10 1.834 2.896 4.362 1.00 0.00 H new HETATM 0 HE13 ALC A 10 2.807 4.588 0.993 1.00 0.00 H new HETATM 0 HE12 ALC A 10 1.654 5.879 1.268 1.00 0.00 H new HETATM 0 HD23 ALC A 10 0.116 1.666 2.695 1.00 0.00 H new HETATM 0 HD22 ALC A 10 -0.448 2.858 3.849 1.00 0.00 H new HETATM 0 HD13 ALC A 10 1.168 3.060 0.364 1.00 0.00 H new HETATM 0 HD12 ALC A 10 0.296 4.523 -0.049 1.00 0.00 H new HETATM 0 HZ3 ALC A 10 2.924 4.845 3.346 1.00 0.00 H new HETATM 0 HZ2 ALC A 10 1.217 5.210 3.501 1.00 0.00 H new HETATM 0 HG ALC A 10 -0.813 4.489 2.236 1.00 0.00 H new HETATM 0 HB3 ALC A 10 -1.444 1.735 1.254 1.00 0.00 H new HETATM 0 HB2 ALC A 10 -1.361 2.901 -0.051 1.00 0.00 H new HETATM 0 HA ALC A 10 -2.934 3.575 2.477 1.00 0.00 H new ATOM 176 N ARG A 11 -2.718 5.690 1.037 1.00 0.00 N ATOM 177 CA ARG A 11 -2.896 6.952 0.263 1.00 0.00 C ATOM 178 C ARG A 11 -1.513 7.547 -0.003 1.00 0.00 C ATOM 179 O ARG A 11 -0.592 7.307 0.756 1.00 0.00 O ATOM 180 CB ARG A 11 -3.760 7.920 1.092 1.00 0.00 C ATOM 181 CG ARG A 11 -5.098 7.234 1.445 1.00 0.00 C ATOM 182 CD ARG A 11 -6.010 8.238 2.160 1.00 0.00 C ATOM 183 NE ARG A 11 -7.251 7.521 2.586 1.00 0.00 N ATOM 184 CZ ARG A 11 -7.647 7.576 3.830 1.00 0.00 C ATOM 185 NH1 ARG A 11 -7.816 8.745 4.389 1.00 0.00 N ATOM 186 NH2 ARG A 11 -7.865 6.465 4.480 1.00 0.00 N ATOM 0 H ARG A 11 -2.274 5.801 1.949 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.394 6.767 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.234 8.207 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.944 8.835 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.581 6.867 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.919 6.369 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.502 8.664 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.258 9.066 1.496 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.790 6.988 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.639 9.596 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.125 8.807 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.726 5.567 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.174 6.495 5.451 1.00 0.00 H new ATOM 200 N SER A 12 -1.404 8.303 -1.070 1.00 0.00 N ATOM 201 CA SER A 12 -0.075 8.923 -1.407 1.00 0.00 C ATOM 202 C SER A 12 -0.099 10.423 -1.736 1.00 0.00 C ATOM 203 O SER A 12 0.479 11.195 -0.995 1.00 0.00 O ATOM 204 CB SER A 12 0.528 8.147 -2.595 1.00 0.00 C ATOM 205 OG SER A 12 0.712 6.832 -2.090 1.00 0.00 O ATOM 0 H SER A 12 -2.164 8.518 -1.716 1.00 0.00 H new ATOM 0 HA SER A 12 0.529 8.850 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.140 8.154 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.472 8.585 -2.920 1.00 0.00 H new ATOM 0 HG SER A 12 1.610 6.752 -1.705 1.00 0.00 H new ATOM 211 N ALA A 13 -0.763 10.756 -2.823 1.00 0.00 N ATOM 212 CA ALA A 13 -0.930 12.157 -3.366 1.00 0.00 C ATOM 213 C ALA A 13 -0.516 12.128 -4.845 1.00 0.00 C ATOM 214 O ALA A 13 -1.227 12.621 -5.700 1.00 0.00 O ATOM 215 CB ALA A 13 -0.025 13.213 -2.665 1.00 0.00 C ATOM 0 H ALA A 13 -1.232 10.058 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.968 12.446 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.200 14.194 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.262 13.247 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.022 12.938 -2.794 1.00 0.00 H new ATOM 221 N ASP A 14 0.634 11.544 -5.079 1.00 0.00 N ATOM 222 CA ASP A 14 1.210 11.417 -6.457 1.00 0.00 C ATOM 223 C ASP A 14 1.413 9.916 -6.787 1.00 0.00 C ATOM 224 O ASP A 14 1.147 9.078 -5.944 1.00 0.00 O ATOM 225 CB ASP A 14 2.531 12.217 -6.449 1.00 0.00 C ATOM 226 CG ASP A 14 3.226 12.174 -7.822 1.00 0.00 C ATOM 227 OD1 ASP A 14 2.592 12.571 -8.786 1.00 0.00 O ATOM 228 OD2 ASP A 14 4.363 11.739 -7.816 1.00 0.00 O ATOM 0 H ASP A 14 1.217 11.137 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 14 0.555 11.815 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.329 13.252 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.199 11.811 -5.689 1.00 0.00 H new ATOM 233 N SER A 15 1.876 9.611 -7.979 1.00 0.00 N ATOM 234 CA SER A 15 2.090 8.174 -8.367 1.00 0.00 C ATOM 235 C SER A 15 3.578 7.767 -8.431 1.00 0.00 C ATOM 236 O SER A 15 4.053 7.214 -9.406 1.00 0.00 O ATOM 237 CB SER A 15 1.398 7.963 -9.742 1.00 0.00 C ATOM 238 OG SER A 15 1.517 6.569 -10.003 1.00 0.00 O ATOM 0 H SER A 15 2.115 10.292 -8.699 1.00 0.00 H new ATOM 0 HA SER A 15 1.657 7.534 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.353 8.271 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.880 8.553 -10.521 1.00 0.00 H new ATOM 0 HG SER A 15 2.465 6.324 -10.046 1.00 0.00 H new ATOM 244 N SER A 16 4.266 8.065 -7.362 1.00 0.00 N ATOM 245 CA SER A 16 5.719 7.736 -7.236 1.00 0.00 C ATOM 246 C SER A 16 5.802 6.968 -5.910 1.00 0.00 C ATOM 247 O SER A 16 6.176 5.811 -5.863 1.00 0.00 O ATOM 248 CB SER A 16 6.544 9.064 -7.218 1.00 0.00 C ATOM 249 OG SER A 16 5.983 9.893 -6.211 1.00 0.00 O ATOM 0 H SER A 16 3.872 8.536 -6.548 1.00 0.00 H new ATOM 0 HA SER A 16 6.124 7.145 -8.058 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.594 8.862 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.502 9.556 -8.189 1.00 0.00 H new ATOM 0 HG SER A 16 5.408 10.569 -6.627 1.00 0.00 H new ATOM 255 N ASN A 17 5.432 7.649 -4.857 1.00 0.00 N ATOM 256 CA ASN A 17 5.439 7.056 -3.487 1.00 0.00 C ATOM 257 C ASN A 17 4.527 5.818 -3.455 1.00 0.00 C ATOM 258 O ASN A 17 4.777 4.897 -2.704 1.00 0.00 O ATOM 259 CB ASN A 17 4.959 8.152 -2.495 1.00 0.00 C ATOM 260 CG ASN A 17 4.492 7.547 -1.160 1.00 0.00 C ATOM 261 OD1 ASN A 17 3.435 6.954 -1.092 1.00 0.00 O ATOM 262 ND2 ASN A 17 5.231 7.666 -0.090 1.00 0.00 N ATOM 0 H ASN A 17 5.117 8.618 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 17 6.439 6.728 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.770 8.857 -2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.142 8.717 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.919 7.262 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.121 8.163 -0.137 1.00 0.00 H new ATOM 269 N LEU A 18 3.503 5.826 -4.273 1.00 0.00 N ATOM 270 CA LEU A 18 2.558 4.667 -4.307 1.00 0.00 C ATOM 271 C LEU A 18 3.201 3.460 -5.004 1.00 0.00 C ATOM 272 O LEU A 18 3.062 2.346 -4.539 1.00 0.00 O ATOM 273 CB LEU A 18 1.273 5.114 -5.053 1.00 0.00 C ATOM 274 CG LEU A 18 0.090 4.118 -4.825 1.00 0.00 C ATOM 275 CD1 LEU A 18 -0.327 4.113 -3.334 1.00 0.00 C ATOM 276 CD2 LEU A 18 -1.115 4.594 -5.654 1.00 0.00 C ATOM 0 H LEU A 18 3.281 6.584 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 18 2.310 4.359 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.982 6.107 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.481 5.192 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 18 0.404 3.117 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.152 3.415 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.520 3.806 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.643 5.114 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.951 3.910 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.404 5.595 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.845 4.615 -6.710 1.00 0.00 H new ATOM 288 N LYS A 19 3.891 3.686 -6.091 1.00 0.00 N ATOM 289 CA LYS A 19 4.537 2.536 -6.802 1.00 0.00 C ATOM 290 C LYS A 19 5.610 1.944 -5.879 1.00 0.00 C ATOM 291 O LYS A 19 5.624 0.746 -5.660 1.00 0.00 O ATOM 292 CB LYS A 19 5.154 3.056 -8.116 1.00 0.00 C ATOM 293 CG LYS A 19 5.810 1.888 -8.900 1.00 0.00 C ATOM 294 CD LYS A 19 7.319 2.165 -9.058 1.00 0.00 C ATOM 295 CE LYS A 19 8.015 0.962 -9.712 1.00 0.00 C ATOM 296 NZ LYS A 19 7.412 0.650 -11.043 1.00 0.00 N ATOM 0 H LYS A 19 4.036 4.602 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 19 3.813 1.758 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.383 3.526 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.899 3.821 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.654 0.947 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.343 1.784 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.470 3.057 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.763 2.365 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.078 1.173 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.934 0.092 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.993 -0.063 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.449 0.280 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.373 1.516 -11.618 1.00 0.00 H new ATOM 310 N THR A 20 6.470 2.795 -5.367 1.00 0.00 N ATOM 311 CA THR A 20 7.549 2.321 -4.444 1.00 0.00 C ATOM 312 C THR A 20 6.845 1.538 -3.324 1.00 0.00 C ATOM 313 O THR A 20 7.228 0.426 -3.019 1.00 0.00 O ATOM 314 CB THR A 20 8.315 3.548 -3.878 1.00 0.00 C ATOM 315 OG1 THR A 20 7.299 4.429 -3.427 1.00 0.00 O ATOM 316 CG2 THR A 20 9.042 4.322 -4.996 1.00 0.00 C ATOM 0 H THR A 20 6.470 3.798 -5.550 1.00 0.00 H new ATOM 0 HA THR A 20 8.277 1.687 -4.950 1.00 0.00 H new ATOM 0 HB THR A 20 9.034 3.223 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.009 5.001 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.568 5.174 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.759 3.664 -5.487 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.314 4.676 -5.726 1.00 0.00 H new ATOM 324 N HIS A 21 5.828 2.147 -2.749 1.00 0.00 N ATOM 325 CA HIS A 21 5.056 1.486 -1.657 1.00 0.00 C ATOM 326 C HIS A 21 4.719 0.040 -2.066 1.00 0.00 C ATOM 327 O HIS A 21 5.092 -0.872 -1.362 1.00 0.00 O ATOM 328 CB HIS A 21 3.786 2.330 -1.410 1.00 0.00 C ATOM 329 CG HIS A 21 2.721 1.503 -0.702 1.00 0.00 C ATOM 330 ND1 HIS A 21 2.694 1.197 0.552 1.00 0.00 N ATOM 331 CD2 HIS A 21 1.595 0.908 -1.232 1.00 0.00 C ATOM 332 CE1 HIS A 21 1.647 0.472 0.797 1.00 0.00 C ATOM 333 NE2 HIS A 21 0.945 0.274 -0.286 1.00 0.00 N ATOM 0 H HIS A 21 5.503 3.081 -2.997 1.00 0.00 H new ATOM 0 HA HIS A 21 5.633 1.430 -0.734 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.035 3.204 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.397 2.698 -2.360 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.388 1.481 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.295 0.957 -2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.389 0.082 1.771 1.00 0.00 H new ATOM 341 N ILE A 22 4.034 -0.134 -3.171 1.00 0.00 N ATOM 342 CA ILE A 22 3.679 -1.520 -3.624 1.00 0.00 C ATOM 343 C ILE A 22 4.904 -2.450 -3.622 1.00 0.00 C ATOM 344 O ILE A 22 4.911 -3.461 -2.953 1.00 0.00 O ATOM 345 CB ILE A 22 3.059 -1.427 -5.053 1.00 0.00 C ATOM 346 CG1 ILE A 22 1.721 -0.642 -4.955 1.00 0.00 C ATOM 347 CG2 ILE A 22 2.784 -2.850 -5.611 1.00 0.00 C ATOM 348 CD1 ILE A 22 1.214 -0.262 -6.358 1.00 0.00 C ATOM 0 H ILE A 22 3.706 0.618 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 22 2.958 -1.949 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 22 3.752 -0.918 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.973 -1.249 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.864 0.258 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.351 -2.772 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.719 -3.407 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.088 -3.370 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.276 0.287 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.955 0.363 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.051 -1.167 -6.943 1.00 0.00 H new ATOM 360 N LYS A 23 5.907 -2.078 -4.367 1.00 0.00 N ATOM 361 CA LYS A 23 7.155 -2.905 -4.455 1.00 0.00 C ATOM 362 C LYS A 23 7.782 -3.293 -3.105 1.00 0.00 C ATOM 363 O LYS A 23 8.322 -4.375 -2.980 1.00 0.00 O ATOM 364 CB LYS A 23 8.181 -2.125 -5.301 1.00 0.00 C ATOM 365 CG LYS A 23 7.623 -1.907 -6.734 1.00 0.00 C ATOM 366 CD LYS A 23 7.535 -3.256 -7.498 1.00 0.00 C ATOM 367 CE LYS A 23 6.828 -3.050 -8.847 1.00 0.00 C ATOM 368 NZ LYS A 23 7.613 -2.142 -9.725 1.00 0.00 N ATOM 0 H LYS A 23 5.920 -1.226 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 23 6.871 -3.853 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.396 -1.164 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.121 -2.674 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.636 -1.449 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.266 -1.216 -7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.535 -3.658 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.991 -3.987 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.692 -4.012 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.835 -2.633 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.041 -1.306 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.477 -1.842 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.871 -2.642 -10.600 1.00 0.00 H new ATOM 382 N THR A 24 7.695 -2.409 -2.148 1.00 0.00 N ATOM 383 CA THR A 24 8.272 -2.671 -0.788 1.00 0.00 C ATOM 384 C THR A 24 7.334 -3.338 0.244 1.00 0.00 C ATOM 385 O THR A 24 7.806 -4.135 1.034 1.00 0.00 O ATOM 386 CB THR A 24 8.782 -1.311 -0.230 1.00 0.00 C ATOM 387 OG1 THR A 24 7.676 -0.417 -0.244 1.00 0.00 O ATOM 388 CG2 THR A 24 9.798 -0.667 -1.193 1.00 0.00 C ATOM 0 H THR A 24 7.242 -1.501 -2.248 1.00 0.00 H new ATOM 0 HA THR A 24 9.063 -3.407 -0.931 1.00 0.00 H new ATOM 0 HB THR A 24 9.223 -1.482 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.596 -0.009 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.139 0.282 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.650 -1.334 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.324 -0.493 -2.159 1.00 0.00 H new ATOM 396 N LYS A 25 6.062 -3.022 0.225 1.00 0.00 N ATOM 397 CA LYS A 25 5.087 -3.622 1.205 1.00 0.00 C ATOM 398 C LYS A 25 4.144 -4.726 0.656 1.00 0.00 C ATOM 399 O LYS A 25 3.501 -5.392 1.446 1.00 0.00 O ATOM 400 CB LYS A 25 4.253 -2.448 1.793 1.00 0.00 C ATOM 401 CG LYS A 25 5.217 -1.307 2.243 1.00 0.00 C ATOM 402 CD LYS A 25 4.447 -0.186 2.981 1.00 0.00 C ATOM 403 CE LYS A 25 5.319 1.089 3.035 1.00 0.00 C ATOM 404 NZ LYS A 25 5.471 1.658 1.664 1.00 0.00 N ATOM 0 H LYS A 25 5.647 -2.365 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 25 5.680 -4.149 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.552 -2.075 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.661 -2.795 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.988 -1.715 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.725 -0.891 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.509 0.024 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.193 -0.509 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.861 1.826 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.298 0.853 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.465 1.588 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.873 1.127 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.181 2.657 1.668 1.00 0.00 H new ATOM 418 N HIS A 26 4.066 -4.900 -0.642 1.00 0.00 N ATOM 419 CA HIS A 26 3.180 -5.951 -1.259 1.00 0.00 C ATOM 420 C HIS A 26 4.036 -6.951 -2.053 1.00 0.00 C ATOM 421 O HIS A 26 3.795 -8.142 -2.035 1.00 0.00 O ATOM 422 CB HIS A 26 2.154 -5.277 -2.197 1.00 0.00 C ATOM 423 CG HIS A 26 1.219 -4.391 -1.371 1.00 0.00 C ATOM 424 ND1 HIS A 26 0.597 -4.750 -0.292 1.00 0.00 N ATOM 425 CD2 HIS A 26 0.833 -3.082 -1.563 1.00 0.00 C ATOM 426 CE1 HIS A 26 -0.113 -3.764 0.161 1.00 0.00 C ATOM 427 NE2 HIS A 26 0.013 -2.714 -0.605 1.00 0.00 N ATOM 0 H HIS A 26 4.590 -4.346 -1.319 1.00 0.00 H new ATOM 0 HA HIS A 26 2.649 -6.485 -0.471 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.669 -4.680 -2.949 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.579 -6.034 -2.730 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.657 -5.673 0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.156 -2.453 -2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.725 -3.806 1.050 1.00 0.00 H new ATOM 435 N SER A 27 5.012 -6.388 -2.717 1.00 0.00 N ATOM 436 CA SER A 27 6.003 -7.121 -3.575 1.00 0.00 C ATOM 437 C SER A 27 5.514 -8.455 -4.186 1.00 0.00 C ATOM 438 O SER A 27 6.071 -9.509 -3.943 1.00 0.00 O ATOM 439 CB SER A 27 7.264 -7.369 -2.714 1.00 0.00 C ATOM 440 OG SER A 27 8.240 -7.824 -3.640 1.00 0.00 O ATOM 0 H SER A 27 5.173 -5.381 -2.698 1.00 0.00 H new ATOM 0 HA SER A 27 6.193 -6.488 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.588 -6.458 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.076 -8.111 -1.938 1.00 0.00 H new ATOM 0 HG SER A 27 9.080 -8.004 -3.168 1.00 0.00 H new ATOM 446 N LYS A 28 4.470 -8.351 -4.968 1.00 0.00 N ATOM 447 CA LYS A 28 3.885 -9.553 -5.639 1.00 0.00 C ATOM 448 C LYS A 28 4.031 -9.340 -7.156 1.00 0.00 C ATOM 449 O LYS A 28 4.337 -8.251 -7.605 1.00 0.00 O ATOM 450 CB LYS A 28 2.402 -9.685 -5.190 1.00 0.00 C ATOM 451 CG LYS A 28 1.761 -10.920 -5.893 1.00 0.00 C ATOM 452 CD LYS A 28 0.522 -11.478 -5.148 1.00 0.00 C ATOM 453 CE LYS A 28 -0.614 -10.443 -5.026 1.00 0.00 C ATOM 454 NZ LYS A 28 -0.313 -9.472 -3.937 1.00 0.00 N ATOM 0 H LYS A 28 3.992 -7.474 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 28 4.391 -10.480 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.346 -9.798 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.851 -8.780 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.472 -10.642 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.509 -11.708 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.152 -12.357 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.819 -11.805 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.736 -9.914 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.557 -10.950 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.190 -9.236 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.367 -9.895 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.094 -8.607 -4.346 1.00 0.00 H new ATOM 468 N GLU A 29 3.802 -10.392 -7.899 1.00 0.00 N ATOM 469 CA GLU A 29 3.914 -10.343 -9.387 1.00 0.00 C ATOM 470 C GLU A 29 2.515 -10.453 -10.039 1.00 0.00 C ATOM 471 O GLU A 29 1.903 -11.494 -9.918 1.00 0.00 O ATOM 472 CB GLU A 29 4.812 -11.517 -9.842 1.00 0.00 C ATOM 473 CG GLU A 29 6.255 -11.399 -9.253 1.00 0.00 C ATOM 474 CD GLU A 29 6.277 -11.523 -7.710 1.00 0.00 C ATOM 475 OE1 GLU A 29 5.820 -12.550 -7.233 1.00 0.00 O ATOM 476 OE2 GLU A 29 6.749 -10.581 -7.089 1.00 0.00 O ATOM 0 H GLU A 29 3.536 -11.304 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 29 4.352 -9.394 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.366 -12.460 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.863 -11.536 -10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.885 -12.176 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.685 -10.441 -9.544 1.00 0.00 H new ATOM 483 N LYS A 30 1.978 -9.453 -10.708 1.00 0.00 N ATOM 484 CA LYS A 30 2.599 -8.103 -10.943 1.00 0.00 C ATOM 485 C LYS A 30 1.633 -7.027 -10.435 1.00 0.00 C ATOM 486 O LYS A 30 2.028 -6.044 -9.839 1.00 0.00 O ATOM 487 CB LYS A 30 2.866 -7.949 -12.465 1.00 0.00 C ATOM 488 CG LYS A 30 3.308 -6.506 -12.814 1.00 0.00 C ATOM 489 CD LYS A 30 3.708 -6.413 -14.313 1.00 0.00 C ATOM 490 CE LYS A 30 5.176 -6.855 -14.506 1.00 0.00 C ATOM 491 NZ LYS A 30 6.088 -5.882 -13.834 1.00 0.00 N ATOM 0 H LYS A 30 1.055 -9.532 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 30 3.544 -7.999 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.638 -8.653 -12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.964 -8.200 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.497 -5.809 -12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.150 -6.215 -12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.050 -7.043 -14.912 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.580 -5.390 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.323 -7.852 -14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.411 -6.914 -15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.018 -5.899 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.685 -4.925 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.197 -6.143 -12.833 1.00 0.00 H new TER 505 LYS A 30 HETATM 506 ZN ZN A 31 -0.665 -0.847 -0.594 1.00 0.00 ZN