USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 249 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00506) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 60:sc= 0.617 USER MOD Single : A 16 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= 0.0966 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.055 0.061 0.196 1.00 45.13 N ATOM 2 CA MET A 1 1.886 0.349 -0.968 1.00 22.32 C ATOM 3 C MET A 1 1.046 0.912 -2.110 1.00 60.01 C ATOM 4 O MET A 1 1.404 1.920 -2.720 1.00 15.42 O ATOM 5 CB MET A 1 2.611 -0.916 -1.428 1.00 71.13 C ATOM 6 CG MET A 1 3.990 -0.648 -2.010 1.00 13.53 C ATOM 7 SD MET A 1 5.157 -1.980 -1.673 1.00 44.03 S ATOM 8 CE MET A 1 4.867 -3.049 -3.081 1.00 62.12 C ATOM 0 H1 MET A 1 1.653 -0.289 0.972 1.00 45.13 H new ATOM 0 H2 MET A 1 0.569 0.929 0.499 1.00 45.13 H new ATOM 0 H3 MET A 1 0.350 -0.663 -0.051 1.00 45.13 H new ATOM 0 HA MET A 1 2.624 1.098 -0.681 1.00 22.32 H new ATOM 0 HB2 MET A 1 2.708 -1.597 -0.583 1.00 71.13 H new ATOM 0 HB3 MET A 1 2.002 -1.422 -2.177 1.00 71.13 H new ATOM 0 HG2 MET A 1 3.904 -0.509 -3.088 1.00 13.53 H new ATOM 0 HG3 MET A 1 4.379 0.283 -1.599 1.00 13.53 H new ATOM 0 HE1 MET A 1 5.518 -3.921 -3.016 1.00 62.12 H new ATOM 0 HE2 MET A 1 3.826 -3.372 -3.084 1.00 62.12 H new ATOM 0 HE3 MET A 1 5.081 -2.505 -4.001 1.00 62.12 H new ATOM 18 N LYS A 2 -0.073 0.255 -2.395 1.00 43.02 N ATOM 19 CA LYS A 2 -0.965 0.690 -3.464 1.00 24.01 C ATOM 20 C LYS A 2 -2.423 0.611 -3.021 1.00 21.24 C ATOM 21 O LYS A 2 -3.000 -0.474 -2.938 1.00 41.40 O ATOM 22 CB LYS A 2 -0.754 -0.167 -4.713 1.00 42.41 C ATOM 23 CG LYS A 2 0.458 0.241 -5.534 1.00 13.34 C ATOM 24 CD LYS A 2 0.418 -0.362 -6.928 1.00 42.34 C ATOM 25 CE LYS A 2 0.809 -1.832 -6.910 1.00 74.33 C ATOM 26 NZ LYS A 2 1.057 -2.356 -8.281 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.384 -0.581 -1.901 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.730 1.728 -3.699 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.645 -1.209 -4.414 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.644 -0.106 -5.340 1.00 42.41 H new ATOM 0 HG2 LYS A 2 0.499 1.328 -5.608 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.367 -0.078 -5.025 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.584 -0.256 -7.343 1.00 42.34 H new ATOM 0 HD3 LYS A 2 1.094 0.188 -7.583 1.00 42.34 H new ATOM 0 HE2 LYS A 2 1.705 -1.962 -6.304 1.00 74.33 H new ATOM 0 HE3 LYS A 2 0.017 -2.413 -6.437 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.321 -3.360 -8.226 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 0.194 -2.255 -8.853 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 1.830 -1.819 -8.723 1.00 51.53 H new ATOM 40 N THR A 3 -3.015 1.768 -2.741 1.00 15.52 N ATOM 41 CA THR A 3 -4.406 1.829 -2.307 1.00 53.32 C ATOM 42 C THR A 3 -5.319 1.103 -3.287 1.00 71.41 C ATOM 43 O THR A 3 -6.375 0.596 -2.907 1.00 32.43 O ATOM 44 CB THR A 3 -4.884 3.286 -2.160 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.880 4.183 -2.647 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.197 3.608 -0.707 1.00 15.42 C ATOM 0 H THR A 3 -2.553 2.675 -2.807 1.00 15.52 H new ATOM 0 HA THR A 3 -4.457 1.338 -1.335 1.00 53.32 H new ATOM 0 HB THR A 3 -5.794 3.408 -2.747 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.193 5.107 -2.551 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.533 4.642 -0.628 1.00 15.42 H new ATOM 0 HG22 THR A 3 -5.982 2.943 -0.348 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.301 3.470 -0.102 1.00 15.42 H new ATOM 54 N ILE A 4 -4.906 1.054 -4.549 1.00 72.43 N ATOM 55 CA ILE A 4 -5.688 0.387 -5.584 1.00 30.21 C ATOM 56 C ILE A 4 -5.854 -1.097 -5.276 1.00 53.51 C ATOM 57 O ILE A 4 -6.816 -1.729 -5.713 1.00 24.42 O ATOM 58 CB ILE A 4 -5.037 0.544 -6.970 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.658 -0.119 -6.987 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.928 2.015 -7.342 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.593 -1.358 -7.853 1.00 71.24 C ATOM 0 H ILE A 4 -4.035 1.468 -4.880 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.668 0.864 -5.597 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.667 0.049 -7.709 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.922 0.602 -7.343 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.378 -0.383 -5.967 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.466 2.109 -8.325 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.923 2.459 -7.365 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.317 2.533 -6.603 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.586 -1.775 -7.817 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.305 -2.097 -7.485 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.841 -1.096 -8.882 1.00 71.24 H new ATOM 73 N LEU A 5 -4.911 -1.648 -4.520 1.00 20.13 N ATOM 74 CA LEU A 5 -4.952 -3.059 -4.151 1.00 54.31 C ATOM 75 C LEU A 5 -6.253 -3.394 -3.428 1.00 41.10 C ATOM 76 O LEU A 5 -6.891 -4.406 -3.717 1.00 54.45 O ATOM 77 CB LEU A 5 -3.756 -3.410 -3.263 1.00 10.23 C ATOM 78 CG LEU A 5 -2.375 -3.172 -3.875 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.300 -3.218 -2.799 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.088 -4.199 -4.961 1.00 23.34 C ATOM 0 H LEU A 5 -4.108 -1.139 -4.150 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.903 -3.650 -5.065 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.829 -2.830 -2.343 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.832 -4.461 -2.984 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.366 -2.181 -4.329 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.324 -3.047 -3.252 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.496 -2.445 -2.056 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.310 -4.195 -2.317 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.101 -4.014 -5.385 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.116 -5.200 -4.531 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.841 -4.119 -5.745 1.00 23.34 H new ATOM 92 N ARG A 6 -6.638 -2.538 -2.487 1.00 71.11 N ATOM 93 CA ARG A 6 -7.863 -2.743 -1.723 1.00 53.00 C ATOM 94 C ARG A 6 -9.065 -2.892 -2.652 1.00 15.40 C ATOM 95 O ARG A 6 -10.025 -3.593 -2.334 1.00 4.20 O ATOM 96 CB ARG A 6 -8.090 -1.577 -0.761 1.00 71.24 C ATOM 97 CG ARG A 6 -7.294 -1.688 0.530 1.00 71.42 C ATOM 98 CD ARG A 6 -7.664 -0.585 1.510 1.00 1.32 C ATOM 99 NE ARG A 6 -8.501 -1.080 2.600 1.00 13.11 N ATOM 100 CZ ARG A 6 -8.064 -1.902 3.547 1.00 74.41 C ATOM 101 NH1 ARG A 6 -6.805 -2.319 3.539 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -8.886 -2.307 4.506 1.00 75.54 N ATOM 0 H ARG A 6 -6.120 -1.696 -2.235 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.754 -3.663 -1.149 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.825 -0.646 -1.263 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.151 -1.518 -0.520 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.476 -2.660 0.989 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.228 -1.636 0.307 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.755 -0.146 1.921 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.190 0.209 0.980 1.00 1.32 H new ATOM 0 HE ARG A 6 -9.475 -0.778 2.636 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -6.170 -2.008 2.804 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -6.472 -2.950 4.268 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -9.854 -1.987 4.516 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -8.550 -2.938 5.233 1.00 75.54 H new ATOM 116 N PHE A 7 -9.003 -2.226 -3.801 1.00 62.32 N ATOM 117 CA PHE A 7 -10.087 -2.281 -4.775 1.00 71.51 C ATOM 118 C PHE A 7 -10.098 -3.624 -5.500 1.00 5.41 C ATOM 119 O PHE A 7 -11.076 -4.369 -5.435 1.00 43.40 O ATOM 120 CB PHE A 7 -9.950 -1.143 -5.789 1.00 55.54 C ATOM 121 CG PHE A 7 -10.078 0.223 -5.177 1.00 32.55 C ATOM 122 CD1 PHE A 7 -9.023 0.784 -4.477 1.00 73.45 C ATOM 123 CD2 PHE A 7 -11.254 0.944 -5.303 1.00 44.34 C ATOM 124 CE1 PHE A 7 -9.138 2.041 -3.913 1.00 34.04 C ATOM 125 CE2 PHE A 7 -11.375 2.201 -4.742 1.00 73.13 C ATOM 126 CZ PHE A 7 -10.316 2.750 -4.046 1.00 22.42 C ATOM 0 H PHE A 7 -8.214 -1.643 -4.080 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.029 -2.168 -4.239 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.982 -1.222 -6.283 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.712 -1.260 -6.560 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.100 0.233 -4.370 1.00 73.45 H new ATOM 0 HD2 PHE A 7 -12.085 0.519 -5.846 1.00 44.34 H new ATOM 0 HE1 PHE A 7 -8.308 2.468 -3.369 1.00 34.04 H new ATOM 0 HE2 PHE A 7 -12.297 2.754 -4.848 1.00 73.13 H new ATOM 0 HZ PHE A 7 -10.409 3.732 -3.606 1.00 22.42 H new ATOM 136 N VAL A 8 -9.003 -3.927 -6.190 1.00 53.12 N ATOM 137 CA VAL A 8 -8.885 -5.179 -6.927 1.00 31.45 C ATOM 138 C VAL A 8 -9.071 -6.378 -6.004 1.00 55.51 C ATOM 139 O VAL A 8 -9.543 -7.433 -6.428 1.00 51.14 O ATOM 140 CB VAL A 8 -7.518 -5.291 -7.628 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.405 -5.454 -6.604 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.519 -6.449 -8.615 1.00 55.23 C ATOM 0 H VAL A 8 -8.184 -3.322 -6.254 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.672 -5.179 -7.681 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.337 -4.370 -8.183 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.447 -5.532 -7.117 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.392 -4.590 -5.940 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.578 -6.358 -6.020 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.546 -6.514 -9.101 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.722 -7.379 -8.084 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.290 -6.285 -9.368 1.00 55.23 H new ATOM 152 N ALA A 9 -8.697 -6.210 -4.741 1.00 65.43 N ATOM 153 CA ALA A 9 -8.825 -7.278 -3.757 1.00 41.13 C ATOM 154 C ALA A 9 -10.265 -7.769 -3.664 1.00 25.11 C ATOM 155 O ALA A 9 -10.520 -8.902 -3.259 1.00 71.55 O ATOM 156 CB ALA A 9 -8.337 -6.803 -2.396 1.00 42.33 C ATOM 0 H ALA A 9 -8.302 -5.344 -4.374 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.205 -8.114 -4.081 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.438 -7.611 -1.671 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.290 -6.509 -2.467 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.933 -5.949 -2.074 1.00 42.33 H new ATOM 162 N GLY A 10 -11.205 -6.906 -4.039 1.00 61.41 N ATOM 163 CA GLY A 10 -12.610 -7.270 -3.988 1.00 25.11 C ATOM 164 C GLY A 10 -13.076 -7.957 -5.257 1.00 3.31 C ATOM 165 O GLY A 10 -13.901 -8.870 -5.209 1.00 52.42 O ATOM 0 H GLY A 10 -11.019 -5.962 -4.377 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.781 -7.930 -3.137 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.209 -6.374 -3.822 1.00 25.11 H new ATOM 169 N TYR A 11 -12.548 -7.518 -6.393 1.00 42.22 N ATOM 170 CA TYR A 11 -12.919 -8.094 -7.681 1.00 72.35 C ATOM 171 C TYR A 11 -12.732 -9.608 -7.674 1.00 14.31 C ATOM 172 O TYR A 11 -13.617 -10.357 -8.089 1.00 43.11 O ATOM 173 CB TYR A 11 -12.085 -7.471 -8.802 1.00 61.03 C ATOM 174 CG TYR A 11 -12.315 -8.107 -10.153 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.600 -8.351 -10.619 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.246 -8.465 -10.966 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.815 -8.934 -11.853 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.450 -9.046 -12.203 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.737 -9.278 -12.641 1.00 64.34 C ATOM 180 OH TYR A 11 -12.947 -9.857 -13.872 1.00 61.13 O ATOM 0 H TYR A 11 -11.862 -6.765 -6.449 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.972 -7.876 -7.858 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.315 -6.408 -8.867 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.029 -7.553 -8.546 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.447 -8.080 -10.006 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.237 -8.286 -10.625 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.821 -9.119 -12.198 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.608 -9.316 -12.822 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.084 -10.037 -14.300 1.00 61.13 H new ATOM 190 N ASP A 12 -11.573 -10.052 -7.199 1.00 65.02 N ATOM 191 CA ASP A 12 -11.269 -11.477 -7.136 1.00 75.54 C ATOM 192 C ASP A 12 -12.329 -12.224 -6.333 1.00 41.32 C ATOM 193 O ASP A 12 -12.598 -13.399 -6.586 1.00 63.40 O ATOM 194 CB ASP A 12 -9.890 -11.698 -6.512 1.00 50.20 C ATOM 195 CG ASP A 12 -9.298 -13.045 -6.878 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.913 -14.077 -6.537 1.00 0.04 O ATOM 197 OD2 ASP A 12 -8.220 -13.068 -7.509 1.00 71.04 O1- ATOM 0 H ASP A 12 -10.829 -9.446 -6.852 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.267 -11.868 -8.153 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.215 -10.907 -6.839 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.969 -11.622 -5.428 1.00 50.20 H new ATOM 202 N ILE A 13 -12.926 -11.536 -5.366 1.00 22.04 N ATOM 203 CA ILE A 13 -13.956 -12.135 -4.527 1.00 12.43 C ATOM 204 C ILE A 13 -15.330 -12.026 -5.181 1.00 51.45 C ATOM 205 O ILE A 13 -16.188 -12.888 -4.994 1.00 22.14 O ATOM 206 CB ILE A 13 -14.008 -11.471 -3.138 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.608 -11.418 -2.523 1.00 34.34 C ATOM 208 CG2 ILE A 13 -14.964 -12.224 -2.227 1.00 53.52 C ATOM 209 CD1 ILE A 13 -11.957 -12.775 -2.384 1.00 32.12 C ATOM 0 H ILE A 13 -12.714 -10.563 -5.144 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.694 -13.186 -4.409 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.374 -10.451 -3.252 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -11.973 -10.781 -3.139 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.669 -10.951 -1.540 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -14.990 -11.743 -1.249 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -15.963 -12.216 -2.662 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.625 -13.254 -2.116 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -10.968 -12.660 -1.941 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.570 -13.409 -1.743 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.863 -13.236 -3.367 1.00 32.12 H new ATOM 221 N ALA A 14 -15.530 -10.961 -5.950 1.00 52.22 N ATOM 222 CA ALA A 14 -16.797 -10.741 -6.636 1.00 55.53 C ATOM 223 C ALA A 14 -16.968 -11.711 -7.800 1.00 42.14 C ATOM 224 O ALA A 14 -18.088 -12.076 -8.157 1.00 70.44 O ATOM 225 CB ALA A 14 -16.889 -9.304 -7.127 1.00 43.50 C ATOM 0 H ALA A 14 -14.831 -10.237 -6.114 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.602 -10.923 -5.924 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.840 -9.154 -7.637 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.822 -8.624 -6.278 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.071 -9.103 -7.818 1.00 43.50 H new ATOM 231 N SER A 15 -15.850 -12.126 -8.387 1.00 12.33 N ATOM 232 CA SER A 15 -15.876 -13.051 -9.514 1.00 20.03 C ATOM 233 C SER A 15 -16.683 -14.300 -9.173 1.00 21.21 C ATOM 234 O SER A 15 -17.413 -14.829 -10.012 1.00 23.43 O ATOM 235 CB SER A 15 -14.452 -13.443 -9.912 1.00 21.01 C ATOM 236 OG SER A 15 -13.641 -12.297 -10.102 1.00 30.13 O ATOM 0 H SER A 15 -14.915 -11.836 -8.101 1.00 12.33 H new ATOM 0 HA SER A 15 -16.355 -12.548 -10.354 1.00 20.03 H new ATOM 0 HB2 SER A 15 -14.016 -14.076 -9.139 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.476 -14.031 -10.829 1.00 21.01 H new ATOM 0 HG SER A 15 -13.601 -11.783 -9.269 1.00 30.13 H new ATOM 242 N HIS A 16 -16.548 -14.764 -7.936 1.00 53.24 N ATOM 243 CA HIS A 16 -17.266 -15.951 -7.481 1.00 35.24 C ATOM 244 C HIS A 16 -18.616 -15.573 -6.882 1.00 4.32 C ATOM 245 O HIS A 16 -19.611 -16.272 -7.075 1.00 21.51 O ATOM 246 CB HIS A 16 -16.432 -16.713 -6.451 1.00 4.42 C ATOM 247 CG HIS A 16 -15.196 -17.336 -7.023 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.326 -18.105 -6.278 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.685 -17.302 -8.277 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.335 -18.516 -7.049 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.529 -18.042 -8.266 1.00 3.45 N ATOM 0 H HIS A 16 -15.948 -14.337 -7.230 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.440 -16.594 -8.344 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.148 -16.031 -5.650 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -17.048 -17.493 -6.002 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -15.108 -16.788 -9.127 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -12.507 -19.135 -6.737 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.919 -18.200 -9.068 1.00 3.45 H new ATOM 259 N LYS A 17 -18.644 -14.463 -6.152 1.00 61.21 N ATOM 260 CA LYS A 17 -19.872 -13.991 -5.523 1.00 22.12 C ATOM 261 C LYS A 17 -20.992 -13.858 -6.550 1.00 0.25 C ATOM 262 O LYS A 17 -21.991 -14.577 -6.492 1.00 10.32 O ATOM 263 CB LYS A 17 -19.633 -12.644 -4.837 1.00 44.13 C ATOM 264 CG LYS A 17 -20.799 -12.183 -3.980 1.00 25.14 C ATOM 265 CD LYS A 17 -20.654 -10.725 -3.579 1.00 21.12 C ATOM 266 CE LYS A 17 -21.502 -9.818 -4.457 1.00 41.30 C ATOM 267 NZ LYS A 17 -21.393 -8.390 -4.048 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.830 -13.873 -5.981 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.173 -14.725 -4.775 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -18.741 -12.716 -4.214 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.431 -11.889 -5.597 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.731 -12.319 -4.528 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -20.862 -12.803 -3.086 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -20.948 -10.602 -2.537 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -19.608 -10.429 -3.652 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -21.190 -9.923 -5.496 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -22.544 -10.132 -4.404 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -21.985 -7.804 -4.671 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -21.715 -8.285 -3.065 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -20.402 -8.082 -4.123 1.00 5.43 H new ATOM 281 N LYS A 18 -20.821 -12.936 -7.491 1.00 52.14 N ATOM 282 CA LYS A 18 -21.815 -12.710 -8.533 1.00 54.44 C ATOM 283 C LYS A 18 -21.354 -13.300 -9.862 1.00 32.34 C ATOM 284 O LYS A 18 -20.348 -12.871 -10.428 1.00 34.21 O ATOM 285 CB LYS A 18 -22.084 -11.212 -8.694 1.00 42.22 C ATOM 286 CG LYS A 18 -23.190 -10.693 -7.791 1.00 44.35 C ATOM 287 CD LYS A 18 -24.066 -9.679 -8.508 1.00 64.32 C ATOM 288 CE LYS A 18 -25.525 -9.816 -8.103 1.00 31.44 C ATOM 289 NZ LYS A 18 -26.317 -10.558 -9.123 1.00 32.22 N1+ ATOM 0 H LYS A 18 -20.001 -12.332 -7.553 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.737 -13.209 -8.235 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -21.167 -10.662 -8.484 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.348 -11.008 -9.732 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -23.803 -11.527 -7.449 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -22.752 -10.234 -6.905 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -23.718 -8.671 -8.281 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -23.972 -9.814 -9.586 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -25.589 -10.334 -7.146 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -25.956 -8.825 -7.959 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -27.230 -10.081 -9.268 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -25.792 -10.581 -10.021 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -26.483 -11.531 -8.794 1.00 32.22 H new ATOM 303 N LYS A 19 -22.097 -14.285 -10.356 1.00 12.44 N ATOM 304 CA LYS A 19 -21.767 -14.932 -11.620 1.00 30.35 C ATOM 305 C LYS A 19 -22.322 -14.140 -12.799 1.00 22.33 C ATOM 306 O LYS A 19 -21.946 -14.369 -13.949 1.00 13.24 O ATOM 307 CB LYS A 19 -22.320 -16.360 -11.645 1.00 52.34 C ATOM 308 CG LYS A 19 -21.455 -17.333 -12.427 1.00 43.25 C ATOM 309 CD LYS A 19 -22.072 -17.672 -13.773 1.00 35.41 C ATOM 310 CE LYS A 19 -23.018 -18.858 -13.668 1.00 22.10 C ATOM 311 NZ LYS A 19 -23.427 -19.362 -15.009 1.00 2.42 N1+ ATOM 0 H LYS A 19 -22.932 -14.653 -9.900 1.00 12.44 H new ATOM 0 HA LYS A 19 -20.681 -14.967 -11.709 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -22.422 -16.719 -10.621 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -23.320 -16.346 -12.079 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -20.466 -16.901 -12.578 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -21.319 -18.246 -11.848 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -22.613 -16.806 -14.155 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -21.283 -17.897 -14.490 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -22.534 -19.660 -13.111 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -23.904 -18.567 -13.104 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -24.071 -20.170 -14.894 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -23.911 -18.604 -15.532 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -22.584 -19.664 -15.538 1.00 2.42 H new ATOM 325 N THR A 20 -23.220 -13.204 -12.506 1.00 74.11 N ATOM 326 CA THR A 20 -23.826 -12.377 -13.541 1.00 2.32 C ATOM 327 C THR A 20 -24.191 -10.998 -13.001 1.00 43.42 C ATOM 328 O THR A 20 -24.734 -10.875 -11.904 1.00 50.52 O ATOM 329 CB THR A 20 -25.091 -13.039 -14.121 1.00 75.53 C ATOM 330 OG1 THR A 20 -25.746 -12.140 -15.022 1.00 14.51 O ATOM 331 CG2 THR A 20 -26.050 -13.438 -13.009 1.00 11.21 C ATOM 0 H THR A 20 -23.543 -13.000 -11.560 1.00 74.11 H new ATOM 0 HA THR A 20 -23.085 -12.270 -14.333 1.00 2.32 H new ATOM 0 HB THR A 20 -24.790 -13.937 -14.660 1.00 75.53 H new ATOM 0 HG1 THR A 20 -26.548 -12.569 -15.387 1.00 14.51 H new ATOM 0 HG21 THR A 20 -26.936 -13.903 -13.442 1.00 11.21 H new ATOM 0 HG22 THR A 20 -25.558 -14.145 -12.341 1.00 11.21 H new ATOM 0 HG23 THR A 20 -26.344 -12.552 -12.447 1.00 11.21 H new ATOM 339 N GLY A 21 -23.888 -9.963 -13.779 1.00 32.30 N ATOM 340 CA GLY A 21 -24.191 -8.607 -13.361 1.00 50.33 C ATOM 341 C GLY A 21 -23.308 -7.580 -14.042 1.00 2.24 C ATOM 342 O GLY A 21 -22.157 -7.386 -13.655 1.00 35.14 O ATOM 0 H GLY A 21 -23.438 -10.040 -14.691 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -25.236 -8.387 -13.581 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -24.069 -8.527 -12.281 1.00 50.33 H new ATOM 346 N GLY A 22 -23.850 -6.919 -15.061 1.00 31.51 N ATOM 347 CA GLY A 22 -23.090 -5.915 -15.781 1.00 45.51 C ATOM 348 C GLY A 22 -23.973 -5.003 -16.611 1.00 10.31 C ATOM 349 O GLY A 22 -24.349 -5.344 -17.732 1.00 73.31 O ATOM 0 H GLY A 22 -24.801 -7.061 -15.400 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -22.521 -5.316 -15.070 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -22.368 -6.408 -16.432 1.00 45.51 H new ATOM 353 N TYR A 23 -24.304 -3.842 -16.059 1.00 71.54 N ATOM 354 CA TYR A 23 -25.153 -2.881 -16.754 1.00 55.03 C ATOM 355 C TYR A 23 -24.468 -1.520 -16.849 1.00 51.04 C ATOM 356 O TYR A 23 -23.590 -1.181 -16.055 1.00 40.24 O ATOM 357 CB TYR A 23 -26.495 -2.739 -16.034 1.00 51.42 C ATOM 358 CG TYR A 23 -27.203 -4.056 -15.809 1.00 14.11 C ATOM 359 CD1 TYR A 23 -26.853 -4.883 -14.748 1.00 54.44 C ATOM 360 CD2 TYR A 23 -28.220 -4.475 -16.658 1.00 31.13 C ATOM 361 CE1 TYR A 23 -27.496 -6.087 -14.539 1.00 73.33 C ATOM 362 CE2 TYR A 23 -28.870 -5.677 -16.455 1.00 4.11 C ATOM 363 CZ TYR A 23 -28.504 -6.480 -15.394 1.00 61.03 C ATOM 364 OH TYR A 23 -29.148 -7.678 -15.190 1.00 22.01 O ATOM 0 H TYR A 23 -23.998 -3.543 -15.133 1.00 71.54 H new ATOM 0 HA TYR A 23 -25.328 -3.252 -17.764 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -26.332 -2.254 -15.071 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -27.142 -2.083 -16.616 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -26.065 -4.579 -14.076 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -28.507 -3.850 -17.491 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -27.211 -6.718 -13.710 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -29.660 -5.987 -17.123 1.00 4.11 H new ATOM 0 HH TYR A 23 -29.832 -7.803 -15.880 1.00 22.01 H new ATOM 374 N PRO A 24 -24.881 -0.720 -17.844 1.00 64.11 N ATOM 375 CA PRO A 24 -24.322 0.616 -18.068 1.00 61.32 C ATOM 376 C PRO A 24 -24.726 1.603 -16.976 1.00 73.43 C ATOM 377 O PRO A 24 -24.008 2.564 -16.700 1.00 43.22 O ATOM 378 CB PRO A 24 -24.923 1.031 -19.412 1.00 74.10 C ATOM 379 CG PRO A 24 -26.186 0.248 -19.521 1.00 61.12 C ATOM 380 CD PRO A 24 -25.923 -1.060 -18.827 1.00 71.12 C ATOM 0 HA PRO A 24 -23.232 0.609 -18.057 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -25.118 2.103 -19.444 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -24.245 0.805 -20.235 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -27.016 0.778 -19.053 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -26.458 0.089 -20.565 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -26.821 -1.446 -18.344 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -25.583 -1.824 -19.526 1.00 71.12 H new ATOM 388 N TRP A 25 -25.876 1.359 -16.360 1.00 72.25 N ATOM 389 CA TRP A 25 -26.373 2.226 -15.299 1.00 30.04 C ATOM 390 C TRP A 25 -26.428 1.482 -13.969 1.00 53.24 C ATOM 391 O TRP A 25 -26.273 2.083 -12.906 1.00 23.21 O ATOM 392 CB TRP A 25 -27.762 2.758 -15.656 1.00 34.53 C ATOM 393 CG TRP A 25 -28.878 1.904 -15.136 1.00 21.43 C ATOM 394 CD1 TRP A 25 -29.672 2.161 -14.055 1.00 33.43 C ATOM 395 CD2 TRP A 25 -29.322 0.653 -15.673 1.00 71.34 C ATOM 396 NE1 TRP A 25 -30.583 1.146 -13.888 1.00 42.31 N ATOM 397 CE2 TRP A 25 -30.390 0.209 -14.868 1.00 15.21 C ATOM 398 CE3 TRP A 25 -28.923 -0.134 -16.757 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -31.060 -0.986 -15.114 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -29.589 -1.321 -17.000 1.00 43.32 C ATOM 401 CH2 TRP A 25 -30.648 -1.737 -16.182 1.00 1.43 C ATOM 0 H TRP A 25 -26.482 0.568 -16.577 1.00 72.25 H new ATOM 0 HA TRP A 25 -25.685 3.065 -15.197 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -27.870 3.767 -15.257 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -27.847 2.833 -16.740 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -29.595 3.034 -13.424 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -31.289 1.098 -13.153 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -28.109 0.180 -17.394 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -31.876 -1.309 -14.485 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -29.288 -1.938 -17.834 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -31.149 -2.669 -16.398 1.00 1.43 H new ATOM 412 N GLU A 26 -26.649 0.173 -14.036 1.00 72.34 N ATOM 413 CA GLU A 26 -26.724 -0.651 -12.836 1.00 31.52 C ATOM 414 C GLU A 26 -25.418 -1.407 -12.612 1.00 33.20 C ATOM 415 O GLU A 26 -25.269 -2.551 -13.041 1.00 21.44 O ATOM 416 CB GLU A 26 -27.886 -1.640 -12.940 1.00 44.33 C ATOM 417 CG GLU A 26 -29.032 -1.337 -11.989 1.00 60.34 C ATOM 418 CD GLU A 26 -29.394 -2.522 -11.115 1.00 44.43 C ATOM 419 OE1 GLU A 26 -28.514 -3.001 -10.371 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -30.559 -2.968 -11.177 1.00 23.22 O ATOM 0 H GLU A 26 -26.779 -0.339 -14.908 1.00 72.34 H new ATOM 0 HA GLU A 26 -26.893 0.009 -11.985 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -28.264 -1.637 -13.963 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -27.515 -2.645 -12.740 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -28.760 -0.493 -11.355 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -29.907 -1.034 -12.565 1.00 60.34 H new ATOM 427 N ARG A 27 -24.473 -0.759 -11.938 1.00 44.35 N ATOM 428 CA ARG A 27 -23.179 -1.369 -11.659 1.00 14.45 C ATOM 429 C ARG A 27 -22.569 -0.791 -10.385 1.00 63.40 C ATOM 430 O ARG A 27 -22.307 0.409 -10.299 1.00 51.24 O ATOM 431 CB ARG A 27 -22.225 -1.154 -12.836 1.00 64.51 C ATOM 432 CG ARG A 27 -20.807 -1.628 -12.566 1.00 64.01 C ATOM 433 CD ARG A 27 -20.755 -3.130 -12.337 1.00 33.30 C ATOM 434 NE ARG A 27 -19.404 -3.591 -12.030 1.00 54.14 N ATOM 435 CZ ARG A 27 -19.037 -4.867 -12.066 1.00 4.33 C ATOM 436 NH1 ARG A 27 -19.916 -5.804 -12.393 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -17.788 -5.208 -11.773 1.00 42.52 N ATOM 0 H ARG A 27 -24.580 0.188 -11.575 1.00 44.35 H new ATOM 0 HA ARG A 27 -23.333 -2.438 -11.516 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -22.614 -1.679 -13.709 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -22.203 -0.093 -13.086 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -20.168 -1.365 -13.409 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -20.410 -1.112 -11.692 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -21.423 -3.395 -11.518 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -21.120 -3.645 -13.226 1.00 33.30 H new ATOM 0 HE ARG A 27 -18.704 -2.895 -11.774 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -20.877 -5.546 -12.618 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -19.631 -6.783 -12.420 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -17.109 -4.490 -11.520 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -17.507 -6.188 -11.801 1.00 42.52 H new ATOM 451 N GLY A 28 -22.345 -1.653 -9.398 1.00 65.44 N ATOM 452 CA GLY A 28 -21.769 -1.210 -8.142 1.00 65.51 C ATOM 453 C GLY A 28 -22.537 -1.722 -6.939 1.00 63.23 C ATOM 454 O GLY A 28 -23.695 -2.121 -7.057 1.00 64.12 O ATOM 0 H GLY A 28 -22.552 -2.651 -9.446 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -20.735 -1.549 -8.080 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -21.749 -0.120 -8.119 1.00 65.51 H new ATOM 458 N LYS A 29 -21.890 -1.711 -5.779 1.00 32.43 N ATOM 459 CA LYS A 29 -22.517 -2.177 -4.548 1.00 50.03 C ATOM 460 C LYS A 29 -23.525 -1.156 -4.030 1.00 32.31 C ATOM 461 O LYS A 29 -24.541 -1.518 -3.438 1.00 52.13 O ATOM 462 CB LYS A 29 -21.456 -2.448 -3.481 1.00 52.24 C ATOM 463 CG LYS A 29 -20.765 -1.192 -2.976 1.00 1.10 C ATOM 464 CD LYS A 29 -19.534 -1.526 -2.152 1.00 42.12 C ATOM 465 CE LYS A 29 -18.331 -0.703 -2.588 1.00 31.11 C ATOM 466 NZ LYS A 29 -17.046 -1.350 -2.202 1.00 23.05 N1+ ATOM 0 H LYS A 29 -20.931 -1.384 -5.665 1.00 32.43 H new ATOM 0 HA LYS A 29 -23.046 -3.104 -4.769 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -21.922 -2.959 -2.639 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -20.706 -3.125 -3.890 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -20.479 -0.568 -3.822 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -21.461 -0.610 -2.372 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -19.740 -1.341 -1.098 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -19.305 -2.587 -2.251 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -18.358 -0.565 -3.669 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -18.387 0.289 -2.139 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -16.251 -0.758 -2.517 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -17.009 -1.458 -1.168 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -16.980 -2.286 -2.651 1.00 23.05 H new ATOM 480 N ALA A 30 -23.238 0.121 -4.259 1.00 52.51 N ATOM 481 CA ALA A 30 -24.121 1.194 -3.819 1.00 34.32 C ATOM 482 C ALA A 30 -24.002 2.411 -4.730 1.00 4.04 C ATOM 483 O ALA A 30 -24.709 3.404 -4.551 1.00 72.01 O ATOM 484 CB ALA A 30 -23.809 1.577 -2.380 1.00 45.32 C ATOM 0 H ALA A 30 -22.400 0.438 -4.747 1.00 52.51 H new ATOM 0 HA ALA A 30 -25.148 0.832 -3.873 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -24.476 2.379 -2.064 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -23.952 0.711 -1.734 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -22.775 1.915 -2.310 1.00 45.32 H new TER 490 ALA A 30