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+ -114:sc= 0.0757 (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= 0.107 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 64:sc= 0.199 USER MOD Single : A 16 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0013) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0116 (180deg=-0.229) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 59:sc= 0.315 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 2.433 1.577 -0.057 1.00 45.13 N ATOM 2 CA MET A 1 1.495 0.572 -0.545 1.00 22.32 C ATOM 3 C MET A 1 0.573 1.160 -1.608 1.00 60.01 C ATOM 4 O MET A 1 0.409 2.377 -1.698 1.00 15.42 O ATOM 5 CB MET A 1 0.667 0.011 0.611 1.00 71.13 C ATOM 6 CG MET A 1 1.402 -1.036 1.433 1.00 13.53 C ATOM 7 SD MET A 1 0.288 -2.249 2.169 1.00 44.03 S ATOM 8 CE MET A 1 0.944 -3.769 1.487 1.00 62.12 C ATOM 0 H1 MET A 1 3.400 1.311 -0.331 1.00 45.13 H new ATOM 0 H2 MET A 1 2.198 2.502 -0.471 1.00 45.13 H new ATOM 0 H3 MET A 1 2.371 1.636 0.979 1.00 45.13 H new ATOM 0 HA MET A 1 2.070 -0.237 -0.995 1.00 22.32 H new ATOM 0 HB2 MET A 1 0.369 0.831 1.265 1.00 71.13 H new ATOM 0 HB3 MET A 1 -0.248 -0.428 0.213 1.00 71.13 H new ATOM 0 HG2 MET A 1 2.124 -1.550 0.798 1.00 13.53 H new ATOM 0 HG3 MET A 1 1.967 -0.541 2.223 1.00 13.53 H new ATOM 0 HE1 MET A 1 0.359 -4.613 1.851 1.00 62.12 H new ATOM 0 HE2 MET A 1 0.891 -3.732 0.399 1.00 62.12 H new ATOM 0 HE3 MET A 1 1.983 -3.888 1.796 1.00 62.12 H new ATOM 18 N LYS A 2 -0.027 0.290 -2.413 1.00 43.02 N ATOM 19 CA LYS A 2 -0.934 0.721 -3.469 1.00 24.01 C ATOM 20 C LYS A 2 -2.386 0.624 -3.013 1.00 21.24 C ATOM 21 O LYS A 2 -2.957 -0.465 -2.948 1.00 41.40 O ATOM 22 CB LYS A 2 -0.726 -0.126 -4.727 1.00 42.41 C ATOM 23 CG LYS A 2 0.489 0.283 -5.542 1.00 13.34 C ATOM 24 CD LYS A 2 0.098 0.718 -6.945 1.00 42.34 C ATOM 25 CE LYS A 2 -0.570 2.085 -6.940 1.00 74.33 C ATOM 26 NZ LYS A 2 -0.780 2.605 -8.319 1.00 51.53 N1+ ATOM 0 H LYS A 2 0.099 -0.720 -2.354 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.713 1.763 -3.699 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.624 -1.172 -4.438 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.615 -0.054 -5.354 1.00 42.41 H new ATOM 0 HG2 LYS A 2 1.008 1.098 -5.039 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.187 -0.552 -5.600 1.00 13.34 H new ATOM 0 HD2 LYS A 2 0.985 0.748 -7.578 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.579 -0.017 -7.379 1.00 42.34 H new ATOM 0 HE2 LYS A 2 -1.529 2.018 -6.427 1.00 74.33 H new ATOM 0 HE3 LYS A 2 0.044 2.787 -6.377 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 -1.237 3.538 -8.272 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 0.138 2.693 -8.800 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 -1.387 1.948 -8.849 1.00 51.53 H new ATOM 40 N THR A 3 -2.981 1.771 -2.697 1.00 15.52 N ATOM 41 CA THR A 3 -4.366 1.816 -2.247 1.00 53.32 C ATOM 42 C THR A 3 -5.286 1.102 -3.231 1.00 71.41 C ATOM 43 O THR A 3 -6.332 0.576 -2.847 1.00 32.43 O ATOM 44 CB THR A 3 -4.851 3.266 -2.068 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.801 4.181 -2.404 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.306 3.511 -0.637 1.00 15.42 C ATOM 0 H THR A 3 -2.524 2.682 -2.745 1.00 15.52 H new ATOM 0 HA THR A 3 -4.403 1.307 -1.284 1.00 53.32 H new ATOM 0 HB THR A 3 -5.698 3.427 -2.735 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.119 5.101 -2.289 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.644 4.542 -0.534 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.126 2.834 -0.395 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.475 3.332 0.045 1.00 15.42 H new ATOM 54 N ILE A 4 -4.891 1.086 -4.499 1.00 72.43 N ATOM 55 CA ILE A 4 -5.681 0.434 -5.537 1.00 30.21 C ATOM 56 C ILE A 4 -5.844 -1.054 -5.249 1.00 53.51 C ATOM 57 O ILE A 4 -6.818 -1.677 -5.676 1.00 24.42 O ATOM 58 CB ILE A 4 -5.039 0.610 -6.926 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.655 -0.039 -6.959 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.948 2.086 -7.284 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.584 -1.269 -7.836 1.00 71.24 C ATOM 0 H ILE A 4 -4.029 1.517 -4.833 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.661 0.911 -5.536 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.668 0.115 -7.666 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.928 0.692 -7.313 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.366 -0.310 -5.944 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.492 2.194 -8.268 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.948 2.519 -7.298 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.338 2.603 -6.543 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.573 -1.676 -7.811 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.286 -2.018 -7.470 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.842 -1.001 -8.861 1.00 71.24 H new ATOM 73 N LEU A 5 -4.888 -1.619 -4.522 1.00 20.13 N ATOM 74 CA LEU A 5 -4.925 -3.036 -4.175 1.00 54.31 C ATOM 75 C LEU A 5 -6.217 -3.382 -3.442 1.00 41.10 C ATOM 76 O LEU A 5 -6.860 -4.390 -3.738 1.00 54.45 O ATOM 77 CB LEU A 5 -3.719 -3.401 -3.308 1.00 10.23 C ATOM 78 CG LEU A 5 -2.344 -3.155 -3.931 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.257 -3.225 -2.871 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.075 -4.159 -5.042 1.00 23.34 C ATOM 0 H LEU A 5 -4.076 -1.118 -4.161 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.887 -3.613 -5.099 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.781 -2.835 -2.378 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.793 -4.456 -3.044 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.336 -2.154 -4.363 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.286 -3.047 -3.333 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.441 -2.466 -2.111 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.263 -4.212 -2.408 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.092 -3.969 -5.474 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.103 -5.169 -4.634 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.837 -4.059 -5.815 1.00 23.34 H new ATOM 92 N ARG A 6 -6.592 -2.540 -2.485 1.00 71.11 N ATOM 93 CA ARG A 6 -7.808 -2.756 -1.710 1.00 53.00 C ATOM 94 C ARG A 6 -9.020 -2.889 -2.627 1.00 15.40 C ATOM 95 O ARG A 6 -9.976 -3.597 -2.311 1.00 4.20 O ATOM 96 CB ARG A 6 -8.022 -1.606 -0.725 1.00 71.24 C ATOM 97 CG ARG A 6 -7.118 -1.671 0.494 1.00 71.42 C ATOM 98 CD ARG A 6 -7.006 -0.317 1.179 1.00 1.32 C ATOM 99 NE ARG A 6 -8.003 -0.152 2.233 1.00 13.11 N ATOM 100 CZ ARG A 6 -7.994 -0.843 3.367 1.00 74.41 C ATOM 101 NH1 ARG A 6 -7.044 -1.739 3.594 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -8.936 -0.637 4.279 1.00 75.54 N ATOM 0 H ARG A 6 -6.071 -1.702 -2.228 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.693 -3.685 -1.152 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.854 -0.661 -1.241 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.061 -1.609 -0.396 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.508 -2.405 1.199 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.127 -2.012 0.195 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.008 -0.207 1.604 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -7.126 0.474 0.439 1.00 1.32 H new ATOM 0 HE ARG A 6 -8.747 0.531 2.090 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -6.317 -1.899 2.897 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -7.040 -2.268 4.466 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -9.668 0.053 4.109 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -8.928 -1.168 5.150 1.00 75.54 H new ATOM 116 N PHE A 7 -8.975 -2.201 -3.763 1.00 62.32 N ATOM 117 CA PHE A 7 -10.069 -2.241 -4.725 1.00 71.51 C ATOM 118 C PHE A 7 -10.089 -3.570 -5.474 1.00 5.41 C ATOM 119 O PHE A 7 -11.065 -4.317 -5.411 1.00 43.40 O ATOM 120 CB PHE A 7 -9.944 -1.085 -5.720 1.00 55.54 C ATOM 121 CG PHE A 7 -10.063 0.271 -5.081 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.997 0.818 -4.387 1.00 73.45 C ATOM 123 CD2 PHE A 7 -11.239 0.995 -5.176 1.00 44.34 C ATOM 124 CE1 PHE A 7 -9.101 2.065 -3.798 1.00 34.04 C ATOM 125 CE2 PHE A 7 -11.350 2.242 -4.590 1.00 73.13 C ATOM 126 CZ PHE A 7 -10.280 2.777 -3.900 1.00 22.42 C ATOM 0 H PHE A 7 -8.192 -1.609 -4.040 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.005 -2.140 -4.175 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.982 -1.156 -6.228 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.716 -1.188 -6.483 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.073 0.264 -4.305 1.00 73.45 H new ATOM 0 HD2 PHE A 7 -12.079 0.581 -5.714 1.00 44.34 H new ATOM 0 HE1 PHE A 7 -8.262 2.481 -3.260 1.00 34.04 H new ATOM 0 HE2 PHE A 7 -12.273 2.797 -4.672 1.00 73.13 H new ATOM 0 HZ PHE A 7 -10.365 3.751 -3.441 1.00 22.42 H new ATOM 136 N VAL A 8 -9.002 -3.858 -6.183 1.00 53.12 N ATOM 137 CA VAL A 8 -8.893 -5.097 -6.944 1.00 31.45 C ATOM 138 C VAL A 8 -9.068 -6.314 -6.042 1.00 55.51 C ATOM 139 O VAL A 8 -9.544 -7.360 -6.479 1.00 51.14 O ATOM 140 CB VAL A 8 -7.534 -5.196 -7.663 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.409 -5.378 -6.655 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.546 -6.336 -8.671 1.00 55.23 C ATOM 0 H VAL A 8 -8.185 -3.251 -6.246 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.690 -5.082 -7.688 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.360 -4.265 -8.203 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.457 -5.446 -7.181 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.388 -4.526 -5.975 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.575 -6.292 -6.086 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.578 -6.391 -9.169 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.743 -7.276 -8.155 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.326 -6.159 -9.412 1.00 55.23 H new ATOM 152 N ALA A 9 -8.680 -6.168 -4.779 1.00 65.43 N ATOM 153 CA ALA A 9 -8.797 -7.254 -3.814 1.00 41.13 C ATOM 154 C ALA A 9 -10.236 -7.747 -3.714 1.00 25.11 C ATOM 155 O ALA A 9 -10.486 -8.888 -3.328 1.00 71.55 O ATOM 156 CB ALA A 9 -8.295 -6.804 -2.450 1.00 42.33 C ATOM 0 H ALA A 9 -8.282 -5.308 -4.401 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.180 -8.083 -4.161 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.388 -7.625 -1.739 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.249 -6.508 -2.527 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.888 -5.957 -2.106 1.00 42.33 H new ATOM 162 N GLY A 10 -11.180 -6.878 -4.063 1.00 61.41 N ATOM 163 CA GLY A 10 -12.584 -7.245 -4.004 1.00 25.11 C ATOM 164 C GLY A 10 -13.061 -7.920 -5.274 1.00 3.31 C ATOM 165 O GLY A 10 -13.899 -8.819 -5.230 1.00 52.42 O ATOM 0 H GLY A 10 -10.998 -5.927 -4.385 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.746 -7.913 -3.158 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.182 -6.352 -3.824 1.00 25.11 H new ATOM 169 N TYR A 11 -12.526 -7.484 -6.410 1.00 42.22 N ATOM 170 CA TYR A 11 -12.904 -8.051 -7.699 1.00 72.35 C ATOM 171 C TYR A 11 -12.736 -9.567 -7.700 1.00 14.31 C ATOM 172 O TYR A 11 -13.629 -10.302 -8.118 1.00 43.11 O ATOM 173 CB TYR A 11 -12.064 -7.433 -8.818 1.00 61.03 C ATOM 174 CG TYR A 11 -12.291 -8.072 -10.169 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.578 -8.290 -10.649 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.221 -8.456 -10.967 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.789 -8.873 -11.883 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.424 -9.038 -12.204 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.710 -9.246 -12.656 1.00 64.34 C ATOM 180 OH TYR A 11 -12.917 -9.826 -13.887 1.00 61.13 O ATOM 0 H TYR A 11 -11.830 -6.740 -6.464 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.955 -7.821 -7.873 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.291 -6.369 -8.886 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.009 -7.518 -8.558 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.426 -7.999 -10.047 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.213 -8.297 -10.615 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.795 -9.036 -12.241 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.581 -9.328 -12.813 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.053 -10.028 -14.303 1.00 61.13 H new ATOM 190 N ASP A 12 -11.583 -10.027 -7.226 1.00 65.02 N ATOM 191 CA ASP A 12 -11.296 -11.456 -7.168 1.00 75.54 C ATOM 192 C ASP A 12 -12.355 -12.191 -6.353 1.00 41.32 C ATOM 193 O ASP A 12 -12.625 -13.369 -6.586 1.00 63.40 O ATOM 194 CB ASP A 12 -9.912 -11.696 -6.564 1.00 50.20 C ATOM 195 CG ASP A 12 -9.381 -13.084 -6.863 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.760 -14.031 -6.143 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -8.587 -13.223 -7.817 1.00 0.04 O ATOM 0 H ASP A 12 -10.832 -9.431 -6.877 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.312 -11.846 -8.186 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.216 -10.953 -6.952 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.961 -11.554 -5.484 1.00 50.20 H new ATOM 202 N ILE A 13 -12.949 -11.488 -5.395 1.00 22.04 N ATOM 203 CA ILE A 13 -13.979 -12.074 -4.545 1.00 12.43 C ATOM 204 C ILE A 13 -15.349 -12.000 -5.209 1.00 51.45 C ATOM 205 O ILE A 13 -16.201 -12.862 -4.996 1.00 22.14 O ATOM 206 CB ILE A 13 -14.046 -11.371 -3.177 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.651 -11.281 -2.555 1.00 34.34 C ATOM 208 CG2 ILE A 13 -14.999 -12.109 -2.248 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.009 -12.629 -2.313 1.00 32.12 C ATOM 0 H ILE A 13 -12.735 -10.512 -5.188 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.707 -13.119 -4.395 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.423 -10.359 -3.324 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.007 -10.693 -3.210 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.718 -10.744 -1.609 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.035 -11.600 -1.285 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -15.996 -12.125 -2.688 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.649 -13.131 -2.105 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.023 -12.488 -1.871 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.631 -13.212 -1.634 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.910 -13.160 -3.260 1.00 32.12 H new ATOM 221 N ALA A 14 -15.553 -10.966 -6.018 1.00 52.22 N ATOM 222 CA ALA A 14 -16.818 -10.782 -6.718 1.00 55.53 C ATOM 223 C ALA A 14 -16.983 -11.807 -7.835 1.00 42.14 C ATOM 224 O ALA A 14 -18.102 -12.160 -8.206 1.00 70.44 O ATOM 225 CB ALA A 14 -16.910 -9.370 -7.278 1.00 43.50 C ATOM 0 H ALA A 14 -14.858 -10.243 -6.205 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.626 -10.932 -6.002 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.860 -9.246 -7.798 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.847 -8.650 -6.462 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.089 -9.201 -7.975 1.00 43.50 H new ATOM 231 N SER A 15 -15.861 -12.281 -8.367 1.00 12.33 N ATOM 232 CA SER A 15 -15.880 -13.264 -9.444 1.00 20.03 C ATOM 233 C SER A 15 -16.725 -14.476 -9.059 1.00 21.21 C ATOM 234 O SER A 15 -17.444 -15.034 -9.888 1.00 23.43 O ATOM 235 CB SER A 15 -14.456 -13.708 -9.785 1.00 21.01 C ATOM 236 OG SER A 15 -13.657 -12.604 -10.173 1.00 30.13 O ATOM 0 H SER A 15 -14.927 -12.000 -8.070 1.00 12.33 H new ATOM 0 HA SER A 15 -16.326 -12.796 -10.321 1.00 20.03 H new ATOM 0 HB2 SER A 15 -14.008 -14.199 -8.921 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.484 -14.442 -10.590 1.00 21.01 H new ATOM 0 HG SER A 15 -13.565 -11.986 -9.418 1.00 30.13 H new ATOM 242 N HIS A 16 -16.631 -14.876 -7.795 1.00 53.24 N ATOM 243 CA HIS A 16 -17.386 -16.021 -7.298 1.00 35.24 C ATOM 244 C HIS A 16 -18.843 -15.643 -7.046 1.00 4.32 C ATOM 245 O HIS A 16 -19.757 -16.406 -7.360 1.00 21.51 O ATOM 246 CB HIS A 16 -16.756 -16.556 -6.012 1.00 4.42 C ATOM 247 CG HIS A 16 -15.319 -16.949 -6.168 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.902 -18.261 -6.242 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.200 -16.195 -6.267 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.588 -18.297 -6.377 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.139 -17.055 -6.395 1.00 3.45 N ATOM 0 H HIS A 16 -16.040 -14.425 -7.097 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.357 -16.801 -8.059 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.834 -15.795 -5.235 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -17.326 -17.420 -5.670 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -14.151 -15.116 -6.249 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -12.985 -19.189 -6.459 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.161 -16.780 -6.489 1.00 3.45 H new ATOM 259 N LYS A 17 -19.052 -14.461 -6.475 1.00 61.21 N ATOM 260 CA LYS A 17 -20.397 -13.981 -6.181 1.00 22.12 C ATOM 261 C LYS A 17 -21.266 -13.991 -7.435 1.00 0.25 C ATOM 262 O LYS A 17 -22.288 -14.675 -7.489 1.00 10.32 O ATOM 263 CB LYS A 17 -20.339 -12.566 -5.599 1.00 44.13 C ATOM 264 CG LYS A 17 -21.339 -12.326 -4.482 1.00 25.14 C ATOM 265 CD LYS A 17 -20.655 -12.249 -3.127 1.00 21.12 C ATOM 266 CE LYS A 17 -20.687 -13.589 -2.410 1.00 41.30 C ATOM 267 NZ LYS A 17 -21.906 -13.738 -1.568 1.00 5.43 N1+ ATOM 0 H LYS A 17 -18.307 -13.818 -6.207 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.843 -14.652 -5.447 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.334 -12.378 -5.222 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -20.519 -11.846 -6.397 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.880 -11.399 -4.670 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -22.076 -13.129 -4.473 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -19.621 -11.930 -3.258 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -21.146 -11.495 -2.513 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -20.652 -14.394 -3.144 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -19.799 -13.688 -1.785 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -21.891 -14.664 -1.096 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -21.927 -12.984 -0.851 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -22.753 -13.669 -2.168 1.00 5.43 H new ATOM 281 N LYS A 18 -20.852 -13.230 -8.442 1.00 52.14 N ATOM 282 CA LYS A 18 -21.590 -13.153 -9.697 1.00 54.44 C ATOM 283 C LYS A 18 -20.643 -13.217 -10.891 1.00 32.34 C ATOM 284 O LYS A 18 -19.698 -12.435 -10.989 1.00 34.21 O ATOM 285 CB LYS A 18 -22.410 -11.863 -9.752 1.00 42.22 C ATOM 286 CG LYS A 18 -23.671 -11.978 -10.592 1.00 44.35 C ATOM 287 CD LYS A 18 -24.540 -10.737 -10.467 1.00 64.32 C ATOM 288 CE LYS A 18 -25.963 -11.005 -10.932 1.00 31.44 C ATOM 289 NZ LYS A 18 -26.698 -11.890 -9.987 1.00 32.22 N1+ ATOM 0 H LYS A 18 -20.008 -12.657 -8.413 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.265 -14.008 -9.745 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -22.685 -11.574 -8.738 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -21.787 -11.064 -10.154 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -23.401 -12.130 -11.637 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -24.239 -12.854 -10.279 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -24.552 -10.403 -9.430 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -24.109 -9.929 -11.058 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -26.496 -10.060 -11.033 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -25.942 -11.466 -11.919 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -27.720 -11.808 -10.158 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -26.401 -12.876 -10.132 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -26.487 -11.605 -9.009 1.00 32.22 H new ATOM 303 N LYS A 19 -20.902 -14.154 -11.797 1.00 12.44 N ATOM 304 CA LYS A 19 -20.073 -14.319 -12.986 1.00 30.35 C ATOM 305 C LYS A 19 -20.797 -13.808 -14.227 1.00 22.33 C ATOM 306 O LYS A 19 -20.189 -13.622 -15.281 1.00 13.24 O ATOM 307 CB LYS A 19 -19.698 -15.791 -13.171 1.00 52.34 C ATOM 308 CG LYS A 19 -18.771 -16.039 -14.347 1.00 43.25 C ATOM 309 CD LYS A 19 -19.524 -16.591 -15.545 1.00 35.41 C ATOM 310 CE LYS A 19 -18.722 -16.438 -16.827 1.00 22.10 C ATOM 311 NZ LYS A 19 -18.704 -17.695 -17.625 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.679 -14.811 -11.731 1.00 12.44 H new ATOM 0 HA LYS A 19 -19.164 -13.734 -12.850 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -19.221 -16.153 -12.260 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -20.608 -16.375 -13.307 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -18.277 -15.108 -14.624 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -17.989 -16.739 -14.053 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -19.750 -17.644 -15.380 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -20.477 -16.072 -15.647 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -19.147 -15.633 -17.427 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -17.700 -16.148 -16.583 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -18.147 -17.549 -18.491 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -18.275 -18.457 -17.062 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -19.677 -17.958 -17.880 1.00 2.42 H new ATOM 325 N THR A 20 -22.101 -13.582 -14.096 1.00 74.11 N ATOM 326 CA THR A 20 -22.907 -13.093 -15.207 1.00 2.32 C ATOM 327 C THR A 20 -23.481 -11.714 -14.905 1.00 43.42 C ATOM 328 O THR A 20 -24.687 -11.560 -14.714 1.00 50.52 O ATOM 329 CB THR A 20 -24.064 -14.057 -15.530 1.00 75.53 C ATOM 330 OG1 THR A 20 -24.839 -14.305 -14.351 1.00 14.51 O ATOM 331 CG2 THR A 20 -23.534 -15.374 -16.079 1.00 11.21 C ATOM 0 H THR A 20 -22.621 -13.730 -13.231 1.00 74.11 H new ATOM 0 HA THR A 20 -22.246 -13.028 -16.071 1.00 2.32 H new ATOM 0 HB THR A 20 -24.694 -13.592 -16.288 1.00 75.53 H new ATOM 0 HG1 THR A 20 -25.190 -13.458 -14.006 1.00 14.51 H new ATOM 0 HG21 THR A 20 -24.369 -16.039 -16.300 1.00 11.21 H new ATOM 0 HG22 THR A 20 -22.968 -15.186 -16.992 1.00 11.21 H new ATOM 0 HG23 THR A 20 -22.884 -15.841 -15.339 1.00 11.21 H new ATOM 339 N GLY A 21 -22.609 -10.711 -14.862 1.00 32.30 N ATOM 340 CA GLY A 21 -23.048 -9.356 -14.583 1.00 50.33 C ATOM 341 C GLY A 21 -21.899 -8.369 -14.549 1.00 2.24 C ATOM 342 O GLY A 21 -21.630 -7.752 -13.519 1.00 35.14 O ATOM 0 H GLY A 21 -21.606 -10.813 -15.016 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -23.766 -9.047 -15.342 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -23.568 -9.336 -13.625 1.00 50.33 H new ATOM 346 N GLY A 22 -21.215 -8.219 -15.680 1.00 31.51 N ATOM 347 CA GLY A 22 -20.096 -7.300 -15.754 1.00 45.51 C ATOM 348 C GLY A 22 -20.121 -6.455 -17.012 1.00 10.31 C ATOM 349 O GLY A 22 -19.731 -6.914 -18.086 1.00 73.31 O ATOM 0 H GLY A 22 -21.417 -8.718 -16.546 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -20.108 -6.647 -14.881 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -19.164 -7.864 -15.717 1.00 45.51 H new ATOM 353 N TYR A 23 -20.584 -5.216 -16.881 1.00 71.54 N ATOM 354 CA TYR A 23 -20.663 -4.305 -18.017 1.00 55.03 C ATOM 355 C TYR A 23 -19.706 -3.130 -17.841 1.00 51.04 C ATOM 356 O TYR A 23 -19.318 -2.773 -16.729 1.00 40.24 O ATOM 357 CB TYR A 23 -22.093 -3.792 -18.187 1.00 51.42 C ATOM 358 CG TYR A 23 -23.125 -4.893 -18.273 1.00 14.11 C ATOM 359 CD1 TYR A 23 -23.608 -5.512 -17.126 1.00 54.44 C ATOM 360 CD2 TYR A 23 -23.619 -5.316 -19.502 1.00 31.13 C ATOM 361 CE1 TYR A 23 -24.551 -6.518 -17.199 1.00 73.33 C ATOM 362 CE2 TYR A 23 -24.562 -6.321 -19.585 1.00 4.11 C ATOM 363 CZ TYR A 23 -25.025 -6.919 -18.431 1.00 61.03 C ATOM 364 OH TYR A 23 -25.965 -7.922 -18.510 1.00 22.01 O ATOM 0 H TYR A 23 -20.910 -4.820 -15.999 1.00 71.54 H new ATOM 0 HA TYR A 23 -20.373 -4.855 -18.912 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -22.338 -3.140 -17.348 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -22.147 -3.184 -19.090 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -23.239 -5.200 -16.160 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -23.259 -4.850 -20.407 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -24.915 -6.988 -16.297 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -24.935 -6.637 -20.548 1.00 4.11 H new ATOM 0 HH TYR A 23 -26.193 -8.083 -19.449 1.00 22.01 H new ATOM 374 N PRO A 24 -19.315 -2.513 -18.966 1.00 64.11 N ATOM 375 CA PRO A 24 -18.401 -1.368 -18.964 1.00 61.32 C ATOM 376 C PRO A 24 -19.042 -0.114 -18.383 1.00 73.43 C ATOM 377 O PRO A 24 -18.355 0.755 -17.844 1.00 43.22 O ATOM 378 CB PRO A 24 -18.081 -1.166 -20.448 1.00 74.10 C ATOM 379 CG PRO A 24 -19.253 -1.737 -21.169 1.00 61.12 C ATOM 380 CD PRO A 24 -19.738 -2.885 -20.327 1.00 71.12 C ATOM 0 HA PRO A 24 -17.523 -1.550 -18.345 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -17.947 -0.110 -20.684 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -17.158 -1.675 -20.727 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -20.035 -0.989 -21.296 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -18.971 -2.076 -22.166 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -20.820 -3.003 -20.393 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -19.294 -3.830 -20.642 1.00 71.12 H new ATOM 388 N TRP A 25 -20.363 -0.024 -18.494 1.00 72.25 N ATOM 389 CA TRP A 25 -21.099 1.125 -17.978 1.00 30.04 C ATOM 390 C TRP A 25 -22.027 0.711 -16.843 1.00 53.24 C ATOM 391 O TRP A 25 -22.301 1.497 -15.936 1.00 23.21 O ATOM 392 CB TRP A 25 -21.904 1.786 -19.098 1.00 34.53 C ATOM 393 CG TRP A 25 -23.303 1.261 -19.213 1.00 21.43 C ATOM 394 CD1 TRP A 25 -24.446 1.876 -18.789 1.00 33.43 C ATOM 395 CD2 TRP A 25 -23.706 0.012 -19.786 1.00 71.34 C ATOM 396 NE1 TRP A 25 -25.536 1.085 -19.065 1.00 42.31 N ATOM 397 CE2 TRP A 25 -25.109 -0.062 -19.677 1.00 15.21 C ATOM 398 CE3 TRP A 25 -23.020 -1.049 -20.383 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -25.834 -1.157 -20.142 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -23.740 -2.134 -20.844 1.00 43.32 C ATOM 401 CH2 TRP A 25 -25.135 -2.181 -20.721 1.00 1.43 C ATOM 0 H TRP A 25 -20.947 -0.734 -18.937 1.00 72.25 H new ATOM 0 HA TRP A 25 -20.377 1.843 -17.588 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -21.940 2.861 -18.924 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -21.387 1.634 -20.046 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -24.488 2.842 -18.308 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -26.506 1.316 -18.849 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -21.945 -1.021 -20.482 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -26.909 -1.196 -20.049 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -23.219 -2.959 -21.307 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -25.670 -3.043 -21.091 1.00 1.43 H new ATOM 412 N GLU A 26 -22.510 -0.527 -16.899 1.00 72.34 N ATOM 413 CA GLU A 26 -23.410 -1.042 -15.874 1.00 31.52 C ATOM 414 C GLU A 26 -22.659 -1.935 -14.890 1.00 33.20 C ATOM 415 O GLU A 26 -22.609 -3.153 -15.054 1.00 21.44 O ATOM 416 CB GLU A 26 -24.556 -1.825 -16.517 1.00 44.33 C ATOM 417 CG GLU A 26 -25.904 -1.135 -16.401 1.00 60.34 C ATOM 418 CD GLU A 26 -26.963 -2.022 -15.773 1.00 44.43 C ATOM 419 OE1 GLU A 26 -26.982 -2.130 -14.529 1.00 23.22 O ATOM 420 OE2 GLU A 26 -27.768 -2.608 -16.525 1.00 4.41 O1- ATOM 0 H GLU A 26 -22.293 -1.191 -17.643 1.00 72.34 H new ATOM 0 HA GLU A 26 -23.821 -0.193 -15.328 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -24.329 -1.985 -17.571 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -24.619 -2.808 -16.051 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -25.794 -0.229 -15.805 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -26.236 -0.826 -17.392 1.00 60.34 H new ATOM 427 N ARG A 27 -22.075 -1.317 -13.868 1.00 44.35 N ATOM 428 CA ARG A 27 -21.324 -2.055 -12.858 1.00 14.45 C ATOM 429 C ARG A 27 -22.266 -2.733 -11.868 1.00 63.40 C ATOM 430 O ARG A 27 -21.930 -3.758 -11.278 1.00 51.24 O ATOM 431 CB ARG A 27 -20.374 -1.116 -12.113 1.00 64.51 C ATOM 432 CG ARG A 27 -21.083 -0.009 -11.351 1.00 64.01 C ATOM 433 CD ARG A 27 -21.278 -0.374 -9.888 1.00 33.30 C ATOM 434 NE ARG A 27 -20.007 -0.476 -9.176 1.00 54.14 N ATOM 435 CZ ARG A 27 -19.331 0.575 -8.725 1.00 4.33 C ATOM 436 NH1 ARG A 27 -19.803 1.801 -8.913 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -18.181 0.402 -8.086 1.00 42.52 N ATOM 0 H ARG A 27 -22.107 -0.309 -13.717 1.00 44.35 H new ATOM 0 HA ARG A 27 -20.741 -2.825 -13.364 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -19.774 -1.699 -11.414 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -19.684 -0.668 -12.829 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -20.504 0.912 -11.423 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -22.052 0.187 -11.810 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -21.904 0.378 -9.407 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -21.810 -1.323 -9.819 1.00 33.30 H new ATOM 0 HE ARG A 27 -19.617 -1.405 -9.016 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -20.686 1.938 -9.404 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -19.283 2.607 -8.566 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -17.815 -0.539 -7.941 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -17.663 1.210 -7.740 1.00 42.52 H new ATOM 451 N GLY A 28 -23.450 -2.152 -11.691 1.00 65.44 N ATOM 452 CA GLY A 28 -24.421 -2.713 -10.772 1.00 65.51 C ATOM 453 C GLY A 28 -25.804 -2.119 -10.955 1.00 63.23 C ATOM 454 O GLY A 28 -25.970 -1.114 -11.647 1.00 64.12 O ATOM 0 H GLY A 28 -23.753 -1.303 -12.168 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -24.471 -3.792 -10.915 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -24.088 -2.542 -9.748 1.00 65.51 H new ATOM 458 N LYS A 29 -26.801 -2.741 -10.335 1.00 32.43 N ATOM 459 CA LYS A 29 -28.177 -2.270 -10.434 1.00 50.03 C ATOM 460 C LYS A 29 -28.359 -0.961 -9.672 1.00 32.31 C ATOM 461 O LYS A 29 -29.228 -0.155 -10.003 1.00 52.13 O ATOM 462 CB LYS A 29 -29.141 -3.327 -9.889 1.00 52.24 C ATOM 463 CG LYS A 29 -29.026 -3.539 -8.390 1.00 1.10 C ATOM 464 CD LYS A 29 -29.254 -4.994 -8.014 1.00 42.12 C ATOM 465 CE LYS A 29 -28.044 -5.853 -8.350 1.00 31.11 C ATOM 466 NZ LYS A 29 -27.421 -6.434 -7.130 1.00 23.05 N1+ ATOM 0 H LYS A 29 -26.681 -3.574 -9.758 1.00 32.43 H new ATOM 0 HA LYS A 29 -28.399 -2.093 -11.486 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -30.163 -3.033 -10.129 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -28.954 -4.273 -10.397 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -28.038 -3.225 -8.052 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -29.753 -2.911 -7.876 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -29.468 -5.066 -6.948 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -30.129 -5.374 -8.541 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -28.345 -6.657 -9.022 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -27.308 -5.251 -8.882 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -26.600 -7.012 -7.401 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -27.111 -5.667 -6.500 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -28.116 -7.029 -6.635 1.00 23.05 H new ATOM 480 N ALA A 30 -27.532 -0.755 -8.653 1.00 52.51 N ATOM 481 CA ALA A 30 -27.599 0.458 -7.847 1.00 34.32 C ATOM 482 C ALA A 30 -26.699 1.548 -8.419 1.00 4.04 C ATOM 483 O ALA A 30 -26.459 1.599 -9.626 1.00 72.01 O ATOM 484 CB ALA A 30 -27.215 0.157 -6.406 1.00 45.32 C ATOM 0 H ALA A 30 -26.807 -1.413 -8.366 1.00 52.51 H new ATOM 0 HA ALA A 30 -28.626 0.822 -7.869 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -27.270 1.072 -5.816 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -27.902 -0.582 -5.993 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -26.198 -0.235 -6.375 1.00 45.32 H new TER 490 ALA A 30