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 -158:sc= -0.0803 (180deg=-0.555) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -0.867 K(o=-0.87,f=-2.8) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (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 0.924 -0.043 0.339 1.00 45.13 N ATOM 2 CA MET A 1 1.760 0.399 -0.770 1.00 22.32 C ATOM 3 C MET A 1 0.909 0.984 -1.893 1.00 60.01 C ATOM 4 O MET A 1 1.115 2.122 -2.315 1.00 15.42 O ATOM 5 CB MET A 1 2.597 -0.765 -1.304 1.00 71.13 C ATOM 6 CG MET A 1 3.864 -1.020 -0.501 1.00 13.53 C ATOM 7 SD MET A 1 4.628 -2.604 -0.896 1.00 44.03 S ATOM 8 CE MET A 1 3.439 -3.741 -0.190 1.00 62.12 C ATOM 0 H1 MET A 1 1.525 -0.437 1.091 1.00 45.13 H new ATOM 0 H2 MET A 1 0.387 0.766 0.713 1.00 45.13 H new ATOM 0 H3 MET A 1 0.263 -0.773 0.006 1.00 45.13 H new ATOM 0 HA MET A 1 2.428 1.177 -0.400 1.00 22.32 H new ATOM 0 HB2 MET A 1 1.989 -1.669 -1.305 1.00 71.13 H new ATOM 0 HB3 MET A 1 2.868 -0.562 -2.340 1.00 71.13 H new ATOM 0 HG2 MET A 1 4.578 -0.219 -0.692 1.00 13.53 H new ATOM 0 HG3 MET A 1 3.628 -0.990 0.563 1.00 13.53 H new ATOM 0 HE1 MET A 1 3.922 -4.699 0.003 1.00 62.12 H new ATOM 0 HE2 MET A 1 3.056 -3.333 0.746 1.00 62.12 H new ATOM 0 HE3 MET A 1 2.614 -3.884 -0.888 1.00 62.12 H new ATOM 18 N LYS A 2 -0.049 0.198 -2.373 1.00 43.02 N ATOM 19 CA LYS A 2 -0.934 0.637 -3.447 1.00 24.01 C ATOM 20 C LYS A 2 -2.394 0.568 -3.011 1.00 21.24 C ATOM 21 O LYS A 2 -2.979 -0.513 -2.931 1.00 41.40 O ATOM 22 CB LYS A 2 -0.721 -0.223 -4.695 1.00 42.41 C ATOM 23 CG LYS A 2 0.498 0.176 -5.507 1.00 13.34 C ATOM 24 CD LYS A 2 0.520 -0.520 -6.859 1.00 42.34 C ATOM 25 CE LYS A 2 1.943 -0.758 -7.341 1.00 74.33 C ATOM 26 NZ LYS A 2 2.295 -2.204 -7.338 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.233 -0.747 -2.035 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.693 1.673 -3.683 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.622 -1.266 -4.395 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.606 -0.156 -5.327 1.00 42.41 H new ATOM 0 HG2 LYS A 2 0.502 1.256 -5.653 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.403 -0.074 -4.953 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.005 -1.473 -6.787 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.016 0.085 -7.590 1.00 42.34 H new ATOM 0 HE2 LYS A 2 2.057 -0.359 -8.349 1.00 74.33 H new ATOM 0 HE3 LYS A 2 2.639 -0.214 -6.702 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 3.272 -2.324 -7.673 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 2.211 -2.580 -6.372 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 1.648 -2.720 -7.967 1.00 51.53 H new ATOM 40 N THR A 3 -2.978 1.729 -2.731 1.00 15.52 N ATOM 41 CA THR A 3 -4.370 1.800 -2.304 1.00 53.32 C ATOM 42 C THR A 3 -5.285 1.080 -3.290 1.00 71.41 C ATOM 43 O THR A 3 -6.346 0.581 -2.915 1.00 32.43 O ATOM 44 CB THR A 3 -4.839 3.260 -2.158 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.769 4.153 -2.486 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.319 3.534 -0.741 1.00 15.42 C ATOM 0 H THR A 3 -2.509 2.633 -2.792 1.00 15.52 H new ATOM 0 HA THR A 3 -4.428 1.309 -1.333 1.00 53.32 H new ATOM 0 HB THR A 3 -5.670 3.423 -2.844 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.076 5.079 -2.392 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.645 4.571 -0.661 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.152 2.872 -0.505 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.504 3.355 -0.040 1.00 15.42 H new ATOM 54 N ILE A 4 -4.867 1.030 -4.549 1.00 72.43 N ATOM 55 CA ILE A 4 -5.649 0.370 -5.587 1.00 30.21 C ATOM 56 C ILE A 4 -5.827 -1.112 -5.282 1.00 53.51 C ATOM 57 O ILE A 4 -6.793 -1.737 -5.722 1.00 24.42 O ATOM 58 CB ILE A 4 -4.989 0.521 -6.971 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.615 -0.151 -6.981 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.868 1.992 -7.343 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.554 -1.391 -7.846 1.00 71.24 C ATOM 0 H ILE A 4 -3.991 1.438 -4.876 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.625 0.856 -5.603 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.619 0.029 -7.713 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.872 0.565 -7.333 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.342 -0.417 -5.960 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.400 2.082 -8.323 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.860 2.443 -7.372 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.257 2.506 -6.601 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.550 -1.814 -7.805 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.272 -2.125 -7.481 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.795 -1.128 -8.876 1.00 71.24 H new ATOM 73 N LEU A 5 -4.892 -1.671 -4.521 1.00 20.13 N ATOM 74 CA LEU A 5 -4.946 -3.082 -4.153 1.00 54.31 C ATOM 75 C LEU A 5 -6.252 -3.407 -3.435 1.00 41.10 C ATOM 76 O LEU A 5 -6.899 -4.413 -3.728 1.00 54.45 O ATOM 77 CB LEU A 5 -3.757 -3.443 -3.261 1.00 10.23 C ATOM 78 CG LEU A 5 -2.372 -3.216 -3.867 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.302 -3.273 -2.787 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.089 -4.243 -4.953 1.00 23.34 C ATOM 0 H LEU A 5 -4.087 -1.169 -4.147 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.898 -3.673 -5.068 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.829 -2.863 -2.341 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.842 -4.493 -2.983 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.353 -2.224 -4.319 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.322 -3.109 -3.236 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.494 -2.499 -2.043 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.322 -4.251 -2.306 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.099 -4.065 -5.373 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.128 -5.245 -4.525 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.838 -4.156 -5.740 1.00 23.34 H new ATOM 92 N ARG A 6 -6.635 -2.548 -2.496 1.00 71.11 N ATOM 93 CA ARG A 6 -7.864 -2.743 -1.738 1.00 53.00 C ATOM 94 C ARG A 6 -9.064 -2.882 -2.670 1.00 15.40 C ATOM 95 O ARG A 6 -10.031 -3.576 -2.357 1.00 4.20 O ATOM 96 CB ARG A 6 -8.087 -1.575 -0.775 1.00 71.24 C ATOM 97 CG ARG A 6 -7.289 -1.688 0.515 1.00 71.42 C ATOM 98 CD ARG A 6 -7.046 -0.324 1.141 1.00 1.32 C ATOM 99 NE ARG A 6 -8.059 0.009 2.138 1.00 13.11 N ATOM 100 CZ ARG A 6 -8.136 -0.570 3.331 1.00 74.41 C ATOM 101 NH1 ARG A 6 -7.262 -1.507 3.674 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -9.087 -0.213 4.184 1.00 75.54 N ATOM 0 H ARG A 6 -6.111 -1.710 -2.242 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.763 -3.664 -1.165 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.820 -0.645 -1.277 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.148 -1.513 -0.532 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.824 -2.323 1.221 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.334 -2.172 0.312 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.061 -0.309 1.607 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -7.041 0.437 0.361 1.00 1.32 H new ATOM 0 HE ARG A 6 -8.746 0.726 1.906 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -6.529 -1.784 3.021 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -7.323 -1.950 4.591 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -9.761 0.507 3.924 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -9.144 -0.659 5.100 1.00 75.54 H new ATOM 116 N PHE A 7 -8.993 -2.217 -3.819 1.00 62.32 N ATOM 117 CA PHE A 7 -10.073 -2.264 -4.798 1.00 71.51 C ATOM 118 C PHE A 7 -10.092 -3.607 -5.522 1.00 5.41 C ATOM 119 O PHE A 7 -11.076 -4.344 -5.462 1.00 43.40 O ATOM 120 CB PHE A 7 -9.922 -1.127 -5.811 1.00 55.54 C ATOM 121 CG PHE A 7 -10.041 0.240 -5.201 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.984 0.793 -4.496 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.211 0.972 -5.332 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.093 2.050 -3.933 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.324 2.229 -4.771 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.264 2.770 -4.072 1.00 22.42 C ATOM 0 H PHE A 7 -8.199 -1.639 -4.095 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.017 -2.144 -4.267 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.952 -1.214 -6.301 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.681 -1.238 -6.585 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.066 0.236 -4.385 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.044 0.555 -5.879 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.263 2.470 -3.384 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.241 2.788 -4.879 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.350 3.754 -3.635 1.00 22.42 H new ATOM 136 N VAL A 8 -8.996 -3.918 -6.209 1.00 53.12 N ATOM 137 CA VAL A 8 -8.886 -5.172 -6.944 1.00 31.45 C ATOM 138 C VAL A 8 -9.084 -6.369 -6.022 1.00 55.51 C ATOM 139 O VAL A 8 -9.564 -7.421 -6.448 1.00 51.14 O ATOM 140 CB VAL A 8 -7.517 -5.295 -7.640 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.409 -5.466 -6.612 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.523 -6.453 -8.626 1.00 55.23 C ATOM 0 H VAL A 8 -8.173 -3.319 -6.271 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.671 -5.166 -7.700 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.327 -4.376 -8.195 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.449 -5.551 -7.122 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.392 -4.601 -5.948 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.591 -6.368 -6.028 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.548 -6.525 -9.108 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.735 -7.381 -8.096 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.290 -6.284 -9.382 1.00 55.23 H new ATOM 152 N ALA A 9 -8.714 -6.204 -4.757 1.00 65.43 N ATOM 153 CA ALA A 9 -8.854 -7.270 -3.774 1.00 41.13 C ATOM 154 C ALA A 9 -10.299 -7.749 -3.686 1.00 25.11 C ATOM 155 O ALA A 9 -10.565 -8.881 -3.283 1.00 71.55 O ATOM 156 CB ALA A 9 -8.369 -6.799 -2.410 1.00 42.33 C ATOM 0 H ALA A 9 -8.314 -5.341 -4.389 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.238 -8.110 -4.096 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.480 -7.606 -1.686 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.319 -6.512 -2.476 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.960 -5.941 -2.090 1.00 42.33 H new ATOM 162 N GLY A 10 -11.230 -6.879 -4.065 1.00 61.41 N ATOM 163 CA GLY A 10 -12.638 -7.232 -4.020 1.00 25.11 C ATOM 164 C GLY A 10 -13.100 -7.930 -5.284 1.00 3.31 C ATOM 165 O GLY A 10 -13.952 -8.819 -5.234 1.00 52.42 O ATOM 0 H GLY A 10 -11.035 -5.936 -4.402 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.820 -7.881 -3.163 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.231 -6.330 -3.869 1.00 25.11 H new ATOM 169 N TYR A 11 -12.540 -7.528 -6.419 1.00 42.22 N ATOM 170 CA TYR A 11 -12.904 -8.117 -7.701 1.00 72.35 C ATOM 171 C TYR A 11 -12.751 -9.635 -7.667 1.00 14.31 C ATOM 172 O TYR A 11 -13.642 -10.370 -8.091 1.00 43.11 O ATOM 173 CB TYR A 11 -12.040 -7.532 -8.819 1.00 61.03 C ATOM 174 CG TYR A 11 -12.272 -8.179 -10.167 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.558 -8.451 -10.616 1.00 43.03 C ATOM 176 CD2 TYR A 11 -11.204 -8.518 -10.988 1.00 33.13 C ATOM 177 CE1 TYR A 11 -13.774 -9.044 -11.846 1.00 4.31 C ATOM 178 CE2 TYR A 11 -11.411 -9.109 -12.220 1.00 14.35 C ATOM 179 CZ TYR A 11 -12.697 -9.369 -12.644 1.00 64.34 C ATOM 180 OH TYR A 11 -12.908 -9.959 -13.869 1.00 61.13 O ATOM 0 H TYR A 11 -11.832 -6.796 -6.477 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.950 -7.879 -7.896 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.240 -6.463 -8.899 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -10.989 -7.641 -8.549 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.403 -8.195 -9.994 1.00 43.03 H new ATOM 0 HD2 TYR A 11 -10.196 -8.316 -10.658 1.00 33.13 H new ATOM 0 HE1 TYR A 11 -14.780 -9.252 -12.180 1.00 4.31 H new ATOM 0 HE2 TYR A 11 -10.570 -9.366 -12.847 1.00 14.35 H new ATOM 0 HH TYR A 11 -12.046 -10.123 -14.306 1.00 61.13 H new ATOM 190 N ASP A 12 -11.614 -10.096 -7.157 1.00 65.02 N ATOM 191 CA ASP A 12 -11.342 -11.526 -7.064 1.00 75.54 C ATOM 192 C ASP A 12 -12.414 -12.230 -6.239 1.00 41.32 C ATOM 193 O ASP A 12 -12.698 -13.409 -6.451 1.00 63.40 O ATOM 194 CB ASP A 12 -9.963 -11.765 -6.445 1.00 50.20 C ATOM 195 CG ASP A 12 -9.431 -13.154 -6.736 1.00 64.33 C ATOM 196 OD1 ASP A 12 -10.187 -13.973 -7.301 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -8.259 -13.423 -6.398 1.00 0.04 O ATOM 0 H ASP A 12 -10.866 -9.500 -6.802 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.355 -11.940 -8.072 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.262 -11.023 -6.828 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -10.022 -11.620 -5.366 1.00 50.20 H new ATOM 202 N ILE A 13 -13.003 -11.500 -5.298 1.00 22.04 N ATOM 203 CA ILE A 13 -14.043 -12.056 -4.440 1.00 12.43 C ATOM 204 C ILE A 13 -15.408 -11.986 -5.117 1.00 51.45 C ATOM 205 O ILE A 13 -16.227 -12.895 -4.981 1.00 22.14 O ATOM 206 CB ILE A 13 -14.114 -11.318 -3.091 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.722 -11.225 -2.463 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.079 -12.026 -2.151 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.067 -12.571 -2.242 1.00 32.12 C ATOM 0 H ILE A 13 -12.778 -10.523 -5.110 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.781 -13.099 -4.261 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.482 -10.307 -3.265 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.082 -10.620 -3.105 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.797 -10.705 -1.508 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.119 -11.493 -1.201 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.073 -12.046 -2.598 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.737 -13.047 -1.980 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.084 -12.428 -1.794 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.686 -13.172 -1.575 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.959 -13.085 -3.197 1.00 32.12 H new ATOM 221 N ALA A 14 -15.645 -10.902 -5.849 1.00 52.22 N ATOM 222 CA ALA A 14 -16.910 -10.715 -6.551 1.00 55.53 C ATOM 223 C ALA A 14 -17.015 -11.654 -7.749 1.00 42.14 C ATOM 224 O ALA A 14 -18.115 -12.003 -8.179 1.00 70.44 O ATOM 225 CB ALA A 14 -17.057 -9.269 -6.996 1.00 43.50 C ATOM 0 H ALA A 14 -14.978 -10.140 -5.971 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.720 -10.955 -5.862 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -18.005 -9.144 -7.519 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -17.034 -8.616 -6.124 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.237 -9.009 -7.665 1.00 43.50 H new ATOM 231 N SER A 15 -15.867 -12.055 -8.284 1.00 12.33 N ATOM 232 CA SER A 15 -15.831 -12.948 -9.436 1.00 20.03 C ATOM 233 C SER A 15 -16.650 -14.208 -9.171 1.00 21.21 C ATOM 234 O SER A 15 -17.554 -14.547 -9.936 1.00 23.43 O ATOM 235 CB SER A 15 -14.387 -13.325 -9.771 1.00 21.01 C ATOM 236 OG SER A 15 -14.115 -13.128 -11.148 1.00 30.13 O ATOM 0 H SER A 15 -14.949 -11.776 -7.938 1.00 12.33 H new ATOM 0 HA SER A 15 -16.268 -12.423 -10.286 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.703 -12.724 -9.172 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.210 -14.368 -9.508 1.00 21.01 H new ATOM 0 HG SER A 15 -13.185 -13.374 -11.336 1.00 30.13 H new ATOM 242 N HIS A 16 -16.324 -14.900 -8.084 1.00 53.24 N ATOM 243 CA HIS A 16 -17.029 -16.123 -7.718 1.00 35.24 C ATOM 244 C HIS A 16 -18.372 -15.804 -7.070 1.00 4.32 C ATOM 245 O HIS A 16 -19.317 -16.590 -7.151 1.00 21.51 O ATOM 246 CB HIS A 16 -16.177 -16.961 -6.762 1.00 4.42 C ATOM 247 CG HIS A 16 -15.952 -16.309 -5.433 1.00 62.13 C ATOM 248 ND1 HIS A 16 -16.814 -16.458 -4.367 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.954 -15.505 -4.999 1.00 31.25 C ATOM 250 CE1 HIS A 16 -16.357 -15.771 -3.335 1.00 21.44 C ATOM 251 NE2 HIS A 16 -15.228 -15.184 -3.692 1.00 3.45 N ATOM 0 H HIS A 16 -15.577 -14.635 -7.442 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.211 -16.694 -8.629 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.661 -17.925 -6.607 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -15.212 -17.160 -7.228 1.00 4.42 H new ATOM 0 HD1 HIS A 16 -17.670 -17.012 -4.374 1.00 61.22 H new ATOM 0 HD2 HIS A 16 -14.101 -15.177 -5.574 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -16.826 -15.701 -2.365 1.00 21.44 H new ATOM 259 N LYS A 17 -18.453 -14.643 -6.427 1.00 61.21 N ATOM 260 CA LYS A 17 -19.681 -14.218 -5.767 1.00 22.12 C ATOM 261 C LYS A 17 -20.841 -14.160 -6.756 1.00 0.25 C ATOM 262 O LYS A 17 -21.783 -14.949 -6.672 1.00 10.32 O ATOM 263 CB LYS A 17 -19.485 -12.847 -5.115 1.00 44.13 C ATOM 264 CG LYS A 17 -20.626 -12.440 -4.198 1.00 25.14 C ATOM 265 CD LYS A 17 -20.136 -12.163 -2.787 1.00 21.12 C ATOM 266 CE LYS A 17 -19.652 -13.435 -2.106 1.00 41.30 C ATOM 267 NZ LYS A 17 -20.579 -13.871 -1.024 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.682 -13.980 -6.349 1.00 61.21 H new ATOM 0 HA LYS A 17 -19.921 -14.951 -4.996 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -18.557 -12.855 -4.544 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.372 -12.095 -5.896 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.114 -11.550 -4.596 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -21.375 -13.231 -4.175 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -19.326 -11.435 -2.818 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -20.941 -11.719 -2.201 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -19.558 -14.230 -2.846 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -18.659 -13.268 -1.689 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -20.215 -14.740 -0.584 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -20.650 -13.123 -0.305 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -21.520 -14.055 -1.426 1.00 5.43 H new ATOM 281 N LYS A 18 -20.765 -13.224 -7.696 1.00 52.14 N ATOM 282 CA LYS A 18 -21.805 -13.066 -8.705 1.00 54.44 C ATOM 283 C LYS A 18 -21.427 -13.787 -9.995 1.00 32.34 C ATOM 284 O LYS A 18 -21.115 -13.154 -11.003 1.00 34.21 O ATOM 285 CB LYS A 18 -22.046 -11.581 -8.989 1.00 42.22 C ATOM 286 CG LYS A 18 -23.303 -11.313 -9.798 1.00 44.35 C ATOM 287 CD LYS A 18 -24.445 -10.843 -8.913 1.00 64.32 C ATOM 288 CE LYS A 18 -24.582 -9.329 -8.937 1.00 31.44 C ATOM 289 NZ LYS A 18 -25.795 -8.870 -8.203 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.993 -12.563 -7.780 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.722 -13.510 -8.318 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -22.112 -11.045 -8.042 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -21.186 -11.178 -9.525 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -23.095 -10.558 -10.556 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -23.599 -12.221 -10.324 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -25.377 -11.299 -9.247 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -24.275 -11.178 -7.890 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -23.696 -8.877 -8.492 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -24.631 -8.985 -9.970 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -25.853 -7.832 -8.242 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -26.643 -9.281 -8.643 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -25.737 -9.176 -7.211 1.00 32.22 H new ATOM 303 N LYS A 19 -21.460 -15.114 -9.955 1.00 12.44 N ATOM 304 CA LYS A 19 -21.125 -15.924 -11.121 1.00 30.35 C ATOM 305 C LYS A 19 -22.381 -16.510 -11.756 1.00 22.33 C ATOM 306 O LYS A 19 -22.302 -17.383 -12.622 1.00 13.24 O ATOM 307 CB LYS A 19 -20.166 -17.050 -10.727 1.00 52.34 C ATOM 308 CG LYS A 19 -19.422 -17.654 -11.905 1.00 43.25 C ATOM 309 CD LYS A 19 -19.831 -19.098 -12.141 1.00 35.41 C ATOM 310 CE LYS A 19 -19.331 -20.009 -11.031 1.00 22.10 C ATOM 311 NZ LYS A 19 -19.039 -21.382 -11.528 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.715 -15.653 -9.127 1.00 12.44 H new ATOM 0 HA LYS A 19 -20.637 -15.279 -11.852 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -19.442 -16.665 -10.009 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -20.729 -17.835 -10.222 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -19.621 -17.067 -12.802 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -18.348 -17.604 -11.723 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -20.917 -19.163 -12.205 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -19.434 -19.438 -13.098 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -18.430 -19.583 -10.590 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -20.079 -20.061 -10.240 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -18.701 -21.972 -10.741 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -19.905 -21.799 -11.926 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -18.307 -21.336 -12.265 1.00 2.42 H new ATOM 325 N THR A 20 -23.540 -16.027 -11.321 1.00 74.11 N ATOM 326 CA THR A 20 -24.813 -16.503 -11.848 1.00 2.32 C ATOM 327 C THR A 20 -25.957 -15.583 -11.437 1.00 43.42 C ATOM 328 O THR A 20 -26.019 -15.124 -10.296 1.00 50.52 O ATOM 329 CB THR A 20 -25.121 -17.933 -11.364 1.00 75.53 C ATOM 330 OG1 THR A 20 -26.416 -18.337 -11.822 1.00 14.51 O ATOM 331 CG2 THR A 20 -25.066 -18.014 -9.846 1.00 11.21 C ATOM 0 H THR A 20 -23.624 -15.306 -10.605 1.00 74.11 H new ATOM 0 HA THR A 20 -24.724 -16.505 -12.934 1.00 2.32 H new ATOM 0 HB THR A 20 -24.366 -18.603 -11.775 1.00 75.53 H new ATOM 0 HG1 THR A 20 -26.603 -19.247 -11.512 1.00 14.51 H new ATOM 0 HG21 THR A 20 -25.287 -19.033 -9.528 1.00 11.21 H new ATOM 0 HG22 THR A 20 -24.070 -17.734 -9.503 1.00 11.21 H new ATOM 0 HG23 THR A 20 -25.802 -17.333 -9.418 1.00 11.21 H new ATOM 339 N GLY A 21 -26.861 -15.316 -12.374 1.00 32.30 N ATOM 340 CA GLY A 21 -27.992 -14.451 -12.089 1.00 50.33 C ATOM 341 C GLY A 21 -28.835 -14.176 -13.319 1.00 2.24 C ATOM 342 O GLY A 21 -29.884 -14.790 -13.510 1.00 35.14 O ATOM 0 H GLY A 21 -26.831 -15.683 -13.325 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -28.614 -14.912 -11.322 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -27.630 -13.507 -11.682 1.00 50.33 H new ATOM 346 N GLY A 22 -28.378 -13.249 -14.154 1.00 31.51 N ATOM 347 CA GLY A 22 -29.111 -12.909 -15.359 1.00 45.51 C ATOM 348 C GLY A 22 -30.216 -11.904 -15.102 1.00 10.31 C ATOM 349 O GLY A 22 -31.063 -12.111 -14.231 1.00 73.31 O ATOM 0 H GLY A 22 -27.512 -12.727 -14.018 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -28.420 -12.504 -16.098 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -29.540 -13.815 -15.787 1.00 45.51 H new ATOM 353 N TYR A 23 -30.209 -10.812 -15.858 1.00 71.54 N ATOM 354 CA TYR A 23 -31.216 -9.769 -15.704 1.00 55.03 C ATOM 355 C TYR A 23 -32.234 -9.823 -16.840 1.00 51.04 C ATOM 356 O TYR A 23 -31.962 -10.330 -17.929 1.00 40.24 O ATOM 357 CB TYR A 23 -30.553 -8.392 -15.664 1.00 51.42 C ATOM 358 CG TYR A 23 -29.457 -8.277 -14.628 1.00 14.11 C ATOM 359 CD1 TYR A 23 -28.179 -8.757 -14.883 1.00 31.13 C ATOM 360 CD2 TYR A 23 -29.701 -7.688 -13.393 1.00 54.44 C ATOM 361 CE1 TYR A 23 -27.176 -8.655 -13.939 1.00 4.11 C ATOM 362 CE2 TYR A 23 -28.704 -7.580 -12.443 1.00 73.33 C ATOM 363 CZ TYR A 23 -27.443 -8.066 -12.721 1.00 61.03 C ATOM 364 OH TYR A 23 -26.446 -7.961 -11.778 1.00 22.01 O ATOM 0 H TYR A 23 -29.517 -10.626 -16.584 1.00 71.54 H new ATOM 0 HA TYR A 23 -31.739 -9.940 -14.763 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -30.137 -8.170 -16.647 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -31.313 -7.638 -15.462 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -27.966 -9.218 -15.836 1.00 31.13 H new ATOM 0 HD2 TYR A 23 -30.688 -7.308 -13.172 1.00 54.44 H new ATOM 0 HE1 TYR A 23 -26.188 -9.034 -14.154 1.00 4.11 H new ATOM 0 HE2 TYR A 23 -28.910 -7.118 -11.489 1.00 73.33 H new ATOM 0 HH TYR A 23 -26.799 -7.521 -10.977 1.00 22.01 H new ATOM 374 N PRO A 24 -33.436 -9.288 -16.581 1.00 64.11 N ATOM 375 CA PRO A 24 -34.519 -9.261 -17.568 1.00 61.32 C ATOM 376 C PRO A 24 -34.232 -8.303 -18.719 1.00 73.43 C ATOM 377 O PRO A 24 -34.720 -8.491 -19.833 1.00 43.22 O ATOM 378 CB PRO A 24 -35.725 -8.777 -16.759 1.00 74.10 C ATOM 379 CG PRO A 24 -35.137 -7.999 -15.632 1.00 61.12 C ATOM 380 CD PRO A 24 -33.830 -8.668 -15.305 1.00 71.12 C ATOM 0 HA PRO A 24 -34.665 -10.234 -18.038 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -36.386 -8.158 -17.365 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -36.319 -9.615 -16.394 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -34.982 -6.958 -15.915 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -35.802 -7.999 -14.769 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -33.086 -7.950 -14.961 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -33.945 -9.411 -14.516 1.00 71.12 H new ATOM 388 N TRP A 25 -33.436 -7.276 -18.442 1.00 72.25 N ATOM 389 CA TRP A 25 -33.082 -6.288 -19.456 1.00 30.04 C ATOM 390 C TRP A 25 -31.589 -6.328 -19.758 1.00 53.24 C ATOM 391 O TRP A 25 -31.164 -6.035 -20.875 1.00 23.21 O ATOM 392 CB TRP A 25 -33.484 -4.887 -18.994 1.00 34.53 C ATOM 393 CG TRP A 25 -32.390 -4.163 -18.269 1.00 21.43 C ATOM 394 CD1 TRP A 25 -31.600 -3.165 -18.763 1.00 33.43 C ATOM 395 CD2 TRP A 25 -31.963 -4.384 -16.920 1.00 71.34 C ATOM 396 NE1 TRP A 25 -30.708 -2.752 -17.803 1.00 42.31 N ATOM 397 CE2 TRP A 25 -30.911 -3.484 -16.663 1.00 15.21 C ATOM 398 CE3 TRP A 25 -32.369 -5.254 -15.904 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -30.261 -3.430 -15.433 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -31.722 -5.200 -14.684 1.00 43.32 C ATOM 401 CH2 TRP A 25 -30.678 -4.293 -14.457 1.00 1.43 C ATOM 0 H TRP A 25 -33.024 -7.106 -17.525 1.00 72.25 H new ATOM 0 HA TRP A 25 -33.624 -6.532 -20.370 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -33.786 -4.299 -19.861 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -34.354 -4.963 -18.342 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -31.666 -2.760 -19.762 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -30.008 -2.019 -17.920 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -33.173 -5.955 -16.069 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -29.456 -2.732 -15.256 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -32.026 -5.868 -13.892 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -30.193 -4.275 -13.492 1.00 1.43 H new ATOM 412 N GLU A 26 -30.796 -6.692 -18.755 1.00 72.34 N ATOM 413 CA GLU A 26 -29.348 -6.771 -18.915 1.00 31.52 C ATOM 414 C GLU A 26 -28.899 -8.215 -19.111 1.00 33.20 C ATOM 415 O GLU A 26 -28.543 -8.901 -18.153 1.00 21.44 O ATOM 416 CB GLU A 26 -28.645 -6.167 -17.697 1.00 44.33 C ATOM 417 CG GLU A 26 -27.934 -4.857 -17.993 1.00 60.34 C ATOM 418 CD GLU A 26 -26.473 -4.883 -17.586 1.00 44.43 C ATOM 419 OE1 GLU A 26 -26.191 -4.775 -16.375 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -25.611 -5.011 -18.482 1.00 23.22 O ATOM 0 H GLU A 26 -31.131 -6.937 -17.823 1.00 72.34 H new ATOM 0 HA GLU A 26 -29.075 -6.201 -19.803 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -29.379 -6.002 -16.909 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -27.921 -6.885 -17.313 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -28.007 -4.641 -19.059 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -28.440 -4.046 -17.468 1.00 60.34 H new ATOM 427 N ARG A 27 -28.920 -8.671 -20.360 1.00 44.35 N ATOM 428 CA ARG A 27 -28.517 -10.034 -20.681 1.00 14.45 C ATOM 429 C ARG A 27 -27.288 -10.038 -21.586 1.00 63.40 C ATOM 430 O ARG A 27 -27.057 -10.988 -22.332 1.00 51.24 O ATOM 431 CB ARG A 27 -29.667 -10.781 -21.362 1.00 64.51 C ATOM 432 CG ARG A 27 -30.465 -9.920 -22.326 1.00 64.01 C ATOM 433 CD ARG A 27 -29.617 -9.468 -23.504 1.00 33.30 C ATOM 434 NE ARG A 27 -29.020 -10.596 -24.216 1.00 54.14 N ATOM 435 CZ ARG A 27 -28.037 -10.470 -25.100 1.00 4.33 C ATOM 436 NH1 ARG A 27 -27.542 -9.272 -25.379 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -27.548 -11.544 -25.706 1.00 42.52 N ATOM 0 H ARG A 27 -29.212 -8.116 -21.165 1.00 44.35 H new ATOM 0 HA ARG A 27 -28.264 -10.541 -19.750 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -29.264 -11.638 -21.902 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -30.338 -11.173 -20.597 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -31.325 -10.482 -22.690 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -30.853 -9.048 -21.800 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -30.233 -8.890 -24.193 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -28.828 -8.805 -23.149 1.00 33.30 H new ATOM 0 HE ARG A 27 -29.378 -11.531 -24.023 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -27.916 -8.445 -24.914 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -26.787 -9.178 -26.058 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -27.927 -12.467 -25.493 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -26.793 -11.447 -26.385 1.00 42.52 H new ATOM 451 N GLY A 28 -26.502 -8.968 -21.512 1.00 65.44 N ATOM 452 CA GLY A 28 -25.306 -8.869 -22.329 1.00 65.51 C ATOM 453 C GLY A 28 -24.081 -8.492 -21.520 1.00 63.23 C ATOM 454 O GLY A 28 -23.789 -7.311 -21.334 1.00 64.12 O ATOM 0 H GLY A 28 -26.672 -8.169 -20.902 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -25.130 -9.823 -22.827 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -25.464 -8.126 -23.111 1.00 65.51 H new ATOM 458 N LYS A 29 -23.362 -9.499 -21.034 1.00 32.43 N ATOM 459 CA LYS A 29 -22.161 -9.268 -20.241 1.00 50.03 C ATOM 460 C LYS A 29 -21.190 -8.352 -20.976 1.00 32.31 C ATOM 461 O LYS A 29 -20.487 -7.552 -20.358 1.00 52.13 O ATOM 462 CB LYS A 29 -21.478 -10.598 -19.915 1.00 52.24 C ATOM 463 CG LYS A 29 -21.013 -11.360 -21.145 1.00 1.10 C ATOM 464 CD LYS A 29 -21.324 -12.842 -21.032 1.00 42.12 C ATOM 465 CE LYS A 29 -21.604 -13.457 -22.396 1.00 31.11 C ATOM 466 NZ LYS A 29 -22.348 -14.742 -22.282 1.00 23.05 N1+ ATOM 0 H LYS A 29 -23.591 -10.483 -21.176 1.00 32.43 H new ATOM 0 HA LYS A 29 -22.457 -8.781 -19.312 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -20.620 -10.408 -19.270 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -22.169 -11.223 -19.350 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -21.498 -10.952 -22.032 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -19.940 -11.221 -21.276 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -20.485 -13.357 -20.565 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -22.187 -12.986 -20.382 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -22.180 -12.756 -22.999 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -20.662 -13.627 -22.918 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -22.519 -15.129 -23.232 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -21.787 -15.420 -21.728 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -23.258 -14.575 -21.807 1.00 23.05 H new ATOM 480 N ALA A 30 -21.155 -8.472 -22.299 1.00 52.51 N ATOM 481 CA ALA A 30 -20.273 -7.651 -23.119 1.00 34.32 C ATOM 482 C ALA A 30 -20.887 -7.385 -24.489 1.00 4.04 C ATOM 483 O ALA A 30 -20.758 -8.199 -25.405 1.00 72.01 O ATOM 484 CB ALA A 30 -18.916 -8.323 -23.267 1.00 45.32 C ATOM 0 H ALA A 30 -21.728 -9.131 -22.826 1.00 52.51 H new ATOM 0 HA ALA A 30 -20.139 -6.692 -22.619 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -18.266 -7.700 -23.882 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -18.466 -8.456 -22.283 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -19.042 -9.296 -23.743 1.00 45.32 H new TER 490 ALA A 30