USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0592) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.132 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 HD1:sc= 0 X(o=0,f=0) 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 57:sc= 0.132 USER MOD Single : A 23 TYR OH : rot -145:sc= -0.859 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.906 1.255 0.206 1.00 45.13 N ATOM 2 CA MET A 1 0.985 0.220 -0.252 1.00 22.32 C ATOM 3 C MET A 1 0.006 0.780 -1.280 1.00 60.01 C ATOM 4 O MET A 1 -0.713 1.742 -1.008 1.00 15.42 O ATOM 5 CB MET A 1 0.217 -0.370 0.931 1.00 71.13 C ATOM 6 CG MET A 1 -0.241 -1.803 0.705 1.00 13.53 C ATOM 7 SD MET A 1 0.267 -2.912 2.033 1.00 44.03 S ATOM 8 CE MET A 1 1.493 -3.909 1.191 1.00 62.12 C ATOM 0 H1 MET A 1 2.562 0.851 0.904 1.00 45.13 H new ATOM 0 H2 MET A 1 2.445 1.623 -0.604 1.00 45.13 H new ATOM 0 H3 MET A 1 1.368 2.030 0.644 1.00 45.13 H new ATOM 0 HA MET A 1 1.571 -0.568 -0.725 1.00 22.32 H new ATOM 0 HB2 MET A 1 0.849 -0.335 1.818 1.00 71.13 H new ATOM 0 HB3 MET A 1 -0.654 0.253 1.136 1.00 71.13 H new ATOM 0 HG2 MET A 1 -1.327 -1.823 0.615 1.00 13.53 H new ATOM 0 HG3 MET A 1 0.164 -2.165 -0.240 1.00 13.53 H new ATOM 0 HE1 MET A 1 1.901 -4.645 1.884 1.00 62.12 H new ATOM 0 HE2 MET A 1 1.029 -4.422 0.349 1.00 62.12 H new ATOM 0 HE3 MET A 1 2.296 -3.268 0.828 1.00 62.12 H new ATOM 18 N LYS A 2 -0.017 0.173 -2.462 1.00 43.02 N ATOM 19 CA LYS A 2 -0.907 0.610 -3.530 1.00 24.01 C ATOM 20 C LYS A 2 -2.363 0.551 -3.082 1.00 21.24 C ATOM 21 O LYS A 2 -2.952 -0.526 -2.988 1.00 41.40 O ATOM 22 CB LYS A 2 -0.710 -0.260 -4.774 1.00 42.41 C ATOM 23 CG LYS A 2 0.505 0.127 -5.600 1.00 13.34 C ATOM 24 CD LYS A 2 0.111 0.556 -7.003 1.00 42.34 C ATOM 25 CE LYS A 2 0.013 -0.636 -7.943 1.00 74.33 C ATOM 26 NZ LYS A 2 1.355 -1.149 -8.332 1.00 51.53 N1+ ATOM 0 H LYS A 2 0.572 -0.624 -2.704 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.661 1.644 -3.774 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.614 -1.302 -4.467 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.600 -0.193 -5.399 1.00 42.41 H new ATOM 0 HG2 LYS A 2 1.038 0.939 -5.106 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.192 -0.717 -5.656 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.847 1.075 -6.970 1.00 42.34 H new ATOM 0 HD3 LYS A 2 0.844 1.265 -7.387 1.00 42.34 H new ATOM 0 HE2 LYS A 2 -0.554 -1.432 -7.461 1.00 74.33 H new ATOM 0 HE3 LYS A 2 -0.539 -0.348 -8.838 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.257 -1.806 -9.132 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 1.964 -0.353 -8.611 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 1.784 -1.647 -7.526 1.00 51.53 H new ATOM 40 N THR A 3 -2.942 1.717 -2.807 1.00 15.52 N ATOM 41 CA THR A 3 -4.329 1.797 -2.369 1.00 53.32 C ATOM 42 C THR A 3 -5.255 1.074 -3.340 1.00 71.41 C ATOM 43 O THR A 3 -6.315 0.582 -2.951 1.00 32.43 O ATOM 44 CB THR A 3 -4.790 3.261 -2.232 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.751 4.144 -2.667 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.162 3.578 -0.792 1.00 15.42 C ATOM 0 H THR A 3 -2.470 2.618 -2.880 1.00 15.52 H new ATOM 0 HA THR A 3 -4.381 1.313 -1.394 1.00 53.32 H new ATOM 0 HB THR A 3 -5.671 3.402 -2.858 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.052 5.072 -2.578 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.484 4.617 -0.720 1.00 15.42 H new ATOM 0 HG22 THR A 3 -5.973 2.923 -0.473 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.296 3.421 -0.149 1.00 15.42 H new ATOM 54 N ILE A 4 -4.848 1.011 -4.603 1.00 72.43 N ATOM 55 CA ILE A 4 -5.641 0.346 -5.629 1.00 30.21 C ATOM 56 C ILE A 4 -5.824 -1.134 -5.309 1.00 53.51 C ATOM 57 O ILE A 4 -6.795 -1.758 -5.737 1.00 24.42 O ATOM 58 CB ILE A 4 -4.993 0.482 -7.019 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.622 -0.197 -7.036 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.868 1.948 -7.404 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.575 -1.444 -7.890 1.00 71.24 C ATOM 0 H ILE A 4 -3.973 1.413 -4.940 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.614 0.836 -5.642 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.632 -0.013 -7.751 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.879 0.512 -7.402 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.341 -0.455 -6.015 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.408 2.028 -8.389 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.858 2.404 -7.428 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.248 2.465 -6.671 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.573 -1.872 -7.855 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.294 -2.171 -7.512 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.825 -1.189 -8.920 1.00 71.24 H new ATOM 73 N LEU A 5 -4.885 -1.689 -4.552 1.00 20.13 N ATOM 74 CA LEU A 5 -4.942 -3.097 -4.170 1.00 54.31 C ATOM 75 C LEU A 5 -6.242 -3.410 -3.438 1.00 41.10 C ATOM 76 O LEU A 5 -6.896 -4.416 -3.716 1.00 54.45 O ATOM 77 CB LEU A 5 -3.746 -3.455 -3.287 1.00 10.23 C ATOM 78 CG LEU A 5 -2.365 -3.239 -3.906 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.287 -3.290 -2.835 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.096 -4.278 -4.986 1.00 23.34 C ATOM 0 H LEU A 5 -4.075 -1.187 -4.190 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.906 -3.697 -5.079 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.807 -2.867 -2.371 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.833 -4.503 -2.999 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.345 -2.251 -4.367 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.311 -3.134 -3.294 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.470 -2.509 -2.097 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.307 -4.264 -2.345 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.109 -4.109 -5.416 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.136 -5.276 -4.549 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.851 -4.194 -5.768 1.00 23.34 H new ATOM 92 N ARG A 6 -6.613 -2.542 -2.503 1.00 71.11 N ATOM 93 CA ARG A 6 -7.836 -2.725 -1.731 1.00 53.00 C ATOM 94 C ARG A 6 -9.045 -2.866 -2.652 1.00 15.40 C ATOM 95 O ARG A 6 -10.011 -3.554 -2.324 1.00 4.20 O ATOM 96 CB ARG A 6 -8.044 -1.548 -0.777 1.00 71.24 C ATOM 97 CG ARG A 6 -7.073 -1.532 0.392 1.00 71.42 C ATOM 98 CD ARG A 6 -7.425 -0.444 1.394 1.00 1.32 C ATOM 99 NE ARG A 6 -7.934 -0.997 2.646 1.00 13.11 N ATOM 100 CZ ARG A 6 -7.186 -1.677 3.507 1.00 74.41 C ATOM 101 NH1 ARG A 6 -5.901 -1.886 3.254 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -7.723 -2.149 4.625 1.00 75.54 N ATOM 0 H ARG A 6 -6.084 -1.704 -2.262 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.734 -3.641 -1.150 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.943 -0.617 -1.335 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.063 -1.580 -0.391 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.084 -2.502 0.888 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.060 -1.374 0.023 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -6.541 0.161 1.598 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.173 0.220 0.960 1.00 1.32 H new ATOM 0 HE ARG A 6 -8.918 -0.853 2.872 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -5.485 -1.524 2.396 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -5.329 -2.409 3.917 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -8.711 -1.990 4.823 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -7.148 -2.671 5.286 1.00 75.54 H new ATOM 116 N PHE A 7 -8.981 -2.212 -3.807 1.00 62.32 N ATOM 117 CA PHE A 7 -10.070 -2.263 -4.776 1.00 71.51 C ATOM 118 C PHE A 7 -10.102 -3.612 -5.488 1.00 5.41 C ATOM 119 O PHE A 7 -11.089 -4.344 -5.412 1.00 43.40 O ATOM 120 CB PHE A 7 -9.923 -1.135 -5.800 1.00 55.54 C ATOM 121 CG PHE A 7 -10.033 0.237 -5.201 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.968 0.794 -4.511 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.201 0.970 -5.327 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.067 2.057 -3.959 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.307 2.234 -4.777 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.237 2.778 -4.092 1.00 22.42 C ATOM 0 H PHE A 7 -8.187 -1.640 -4.095 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.009 -2.135 -4.237 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.957 -1.229 -6.296 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.688 -1.250 -6.567 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.050 0.235 -4.403 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.040 0.549 -5.862 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.230 2.480 -3.424 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.224 2.795 -4.882 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.316 3.765 -3.661 1.00 22.42 H new ATOM 136 N VAL A 8 -9.014 -3.934 -6.181 1.00 53.12 N ATOM 137 CA VAL A 8 -8.915 -5.195 -6.907 1.00 31.45 C ATOM 138 C VAL A 8 -9.111 -6.384 -5.973 1.00 55.51 C ATOM 139 O VAL A 8 -9.598 -7.436 -6.384 1.00 51.14 O ATOM 140 CB VAL A 8 -7.554 -5.331 -7.614 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.437 -5.499 -6.594 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.575 -6.496 -8.591 1.00 55.23 C ATOM 0 H VAL A 8 -8.189 -3.339 -6.255 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.706 -5.191 -7.657 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.364 -4.418 -8.178 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.483 -5.594 -7.112 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.409 -4.629 -5.938 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.618 -6.395 -6.000 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.605 -6.577 -9.081 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.787 -7.419 -8.052 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.348 -6.328 -9.341 1.00 55.23 H new ATOM 152 N ALA A 9 -8.729 -6.207 -4.712 1.00 65.43 N ATOM 153 CA ALA A 9 -8.865 -7.265 -3.717 1.00 41.13 C ATOM 154 C ALA A 9 -10.311 -7.737 -3.612 1.00 25.11 C ATOM 155 O ALA A 9 -10.578 -8.864 -3.197 1.00 71.55 O ATOM 156 CB ALA A 9 -8.365 -6.784 -2.364 1.00 42.33 C ATOM 0 H ALA A 9 -8.323 -5.342 -4.355 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.257 -8.111 -4.037 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.472 -7.584 -1.631 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.315 -6.503 -2.443 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.949 -5.920 -2.047 1.00 42.33 H new ATOM 162 N GLY A 10 -11.243 -6.866 -3.991 1.00 61.41 N ATOM 163 CA GLY A 10 -12.650 -7.212 -3.930 1.00 25.11 C ATOM 164 C GLY A 10 -13.133 -7.900 -5.192 1.00 3.31 C ATOM 165 O GLY A 10 -13.937 -8.831 -5.132 1.00 52.42 O ATOM 0 H GLY A 10 -11.047 -5.927 -4.339 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.824 -7.865 -3.075 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.237 -6.308 -3.765 1.00 25.11 H new ATOM 169 N TYR A 11 -12.644 -7.440 -6.339 1.00 42.22 N ATOM 170 CA TYR A 11 -13.033 -8.014 -7.621 1.00 72.35 C ATOM 171 C TYR A 11 -12.814 -9.524 -7.632 1.00 14.31 C ATOM 172 O TYR A 11 -13.689 -10.286 -8.044 1.00 43.11 O ATOM 173 CB TYR A 11 -12.241 -7.364 -8.756 1.00 61.03 C ATOM 174 CG TYR A 11 -12.474 -8.008 -10.105 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.753 -8.363 -10.514 1.00 43.03 C ATOM 176 CD2 TYR A 11 -11.415 -8.264 -10.967 1.00 33.13 C ATOM 177 CE1 TYR A 11 -13.972 -8.952 -11.745 1.00 4.31 C ATOM 178 CE2 TYR A 11 -11.624 -8.852 -12.200 1.00 14.35 C ATOM 179 CZ TYR A 11 -12.905 -9.195 -12.584 1.00 64.34 C ATOM 180 OH TYR A 11 -13.117 -9.781 -13.810 1.00 61.13 O ATOM 0 H TYR A 11 -11.977 -6.671 -6.406 1.00 42.22 H new ATOM 0 HA TYR A 11 -14.095 -7.819 -7.770 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.508 -6.309 -8.816 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.178 -7.411 -8.519 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.591 -8.176 -9.859 1.00 43.03 H new ATOM 0 HD2 TYR A 11 -10.411 -7.999 -10.668 1.00 33.13 H new ATOM 0 HE1 TYR A 11 -14.973 -9.220 -12.048 1.00 4.31 H new ATOM 0 HE2 TYR A 11 -10.790 -9.042 -12.859 1.00 14.35 H new ATOM 0 HH TYR A 11 -12.261 -9.881 -14.277 1.00 61.13 H new ATOM 190 N ASP A 12 -11.642 -9.947 -7.175 1.00 65.02 N ATOM 191 CA ASP A 12 -11.305 -11.365 -7.129 1.00 75.54 C ATOM 192 C ASP A 12 -12.335 -12.141 -6.312 1.00 41.32 C ATOM 193 O ASP A 12 -12.558 -13.330 -6.545 1.00 63.40 O ATOM 194 CB ASP A 12 -9.910 -11.562 -6.534 1.00 50.20 C ATOM 195 CG ASP A 12 -9.285 -12.880 -6.949 1.00 64.33 C ATOM 196 OD1 ASP A 12 -8.938 -13.024 -8.141 1.00 0.04 O ATOM 197 OD2 ASP A 12 -9.141 -13.766 -6.082 1.00 71.04 O1- ATOM 0 H ASP A 12 -10.908 -9.328 -6.831 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.312 -11.748 -8.149 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.265 -10.742 -6.849 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.972 -11.519 -5.447 1.00 50.20 H new ATOM 202 N ILE A 13 -12.956 -11.462 -5.355 1.00 22.04 N ATOM 203 CA ILE A 13 -13.960 -12.088 -4.504 1.00 12.43 C ATOM 204 C ILE A 13 -15.338 -12.046 -5.157 1.00 51.45 C ATOM 205 O ILE A 13 -16.141 -12.964 -4.995 1.00 22.14 O ATOM 206 CB ILE A 13 -14.037 -11.402 -3.126 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.642 -11.300 -2.505 1.00 34.34 C ATOM 208 CG2 ILE A 13 -14.977 -12.168 -2.207 1.00 53.52 C ATOM 209 CD1 ILE A 13 -11.959 -12.637 -2.329 1.00 32.12 C ATOM 0 H ILE A 13 -12.782 -10.478 -5.149 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.656 -13.126 -4.368 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.430 -10.394 -3.258 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.019 -10.663 -3.133 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.720 -10.811 -1.534 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.022 -11.672 -1.237 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -15.974 -12.195 -2.647 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.610 -13.186 -2.077 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -10.975 -12.487 -1.884 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.560 -13.270 -1.676 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.848 -13.120 -3.300 1.00 32.12 H new ATOM 221 N ALA A 14 -15.603 -10.975 -5.897 1.00 52.22 N ATOM 222 CA ALA A 14 -16.881 -10.815 -6.579 1.00 55.53 C ATOM 223 C ALA A 14 -16.994 -11.767 -7.764 1.00 42.14 C ATOM 224 O ALA A 14 -18.094 -12.158 -8.156 1.00 70.44 O ATOM 225 CB ALA A 14 -17.059 -9.375 -7.037 1.00 43.50 C ATOM 0 H ALA A 14 -14.949 -10.205 -6.040 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.674 -11.060 -5.873 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -18.018 -9.271 -7.545 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -17.032 -8.712 -6.172 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.255 -9.109 -7.723 1.00 43.50 H new ATOM 231 N SER A 15 -15.850 -12.137 -8.332 1.00 12.33 N ATOM 232 CA SER A 15 -15.822 -13.040 -9.476 1.00 20.03 C ATOM 233 C SER A 15 -16.591 -14.323 -9.175 1.00 21.21 C ATOM 234 O SER A 15 -17.232 -14.898 -10.056 1.00 23.43 O ATOM 235 CB SER A 15 -14.377 -13.375 -9.852 1.00 21.01 C ATOM 236 OG SER A 15 -14.317 -14.039 -11.103 1.00 30.13 O ATOM 0 H SER A 15 -14.931 -11.825 -8.018 1.00 12.33 H new ATOM 0 HA SER A 15 -16.302 -12.538 -10.316 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.787 -12.459 -9.894 1.00 21.01 H new ATOM 0 HB3 SER A 15 -13.934 -14.005 -9.081 1.00 21.01 H new ATOM 0 HG SER A 15 -13.383 -14.241 -11.322 1.00 30.13 H new ATOM 242 N HIS A 16 -16.523 -14.767 -7.923 1.00 53.24 N ATOM 243 CA HIS A 16 -17.213 -15.981 -7.504 1.00 35.24 C ATOM 244 C HIS A 16 -18.691 -15.704 -7.243 1.00 4.32 C ATOM 245 O HIS A 16 -19.550 -16.536 -7.535 1.00 21.51 O ATOM 246 CB HIS A 16 -16.560 -16.555 -6.247 1.00 4.42 C ATOM 247 CG HIS A 16 -15.178 -17.085 -6.478 1.00 62.13 C ATOM 248 ND1 HIS A 16 -14.923 -18.249 -7.171 1.00 61.22 N ATOM 249 CD2 HIS A 16 -13.971 -16.599 -6.103 1.00 31.25 C ATOM 250 CE1 HIS A 16 -13.619 -18.458 -7.212 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.019 -17.471 -6.572 1.00 3.45 N ATOM 0 H HIS A 16 -15.997 -14.304 -7.182 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.135 -16.710 -8.310 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -16.520 -15.779 -5.482 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -17.187 -17.356 -5.856 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -13.791 -15.695 -5.540 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -13.128 -19.294 -7.688 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.012 -17.372 -6.446 1.00 3.45 H new ATOM 259 N LYS A 17 -18.979 -14.530 -6.692 1.00 61.21 N ATOM 260 CA LYS A 17 -20.352 -14.141 -6.392 1.00 22.12 C ATOM 261 C LYS A 17 -21.243 -14.301 -7.621 1.00 0.25 C ATOM 262 O LYS A 17 -22.197 -15.081 -7.612 1.00 10.32 O ATOM 263 CB LYS A 17 -20.399 -12.694 -5.900 1.00 44.13 C ATOM 264 CG LYS A 17 -21.802 -12.198 -5.599 1.00 25.14 C ATOM 265 CD LYS A 17 -21.780 -10.849 -4.901 1.00 21.12 C ATOM 266 CE LYS A 17 -21.968 -9.707 -5.888 1.00 41.30 C ATOM 267 NZ LYS A 17 -21.905 -8.379 -5.218 1.00 5.43 N1+ ATOM 0 H LYS A 17 -18.279 -13.831 -6.444 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.725 -14.797 -5.606 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.791 -12.606 -5.000 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.949 -12.048 -6.654 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -22.368 -12.119 -6.527 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -22.319 -12.925 -4.972 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -22.568 -10.815 -4.149 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -20.833 -10.725 -4.376 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -21.198 -9.762 -6.658 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -22.929 -9.815 -6.390 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -22.038 -7.627 -5.924 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -22.655 -8.316 -4.501 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -20.978 -8.265 -4.760 1.00 5.43 H new ATOM 281 N LYS A 18 -20.927 -13.560 -8.676 1.00 52.14 N ATOM 282 CA LYS A 18 -21.696 -13.620 -9.913 1.00 54.44 C ATOM 283 C LYS A 18 -20.960 -12.913 -11.047 1.00 32.34 C ATOM 284 O LYS A 18 -20.447 -11.807 -10.873 1.00 34.21 O ATOM 285 CB LYS A 18 -23.075 -12.986 -9.712 1.00 42.22 C ATOM 286 CG LYS A 18 -24.151 -13.572 -10.608 1.00 44.35 C ATOM 287 CD LYS A 18 -25.412 -13.898 -9.826 1.00 64.32 C ATOM 288 CE LYS A 18 -26.528 -14.376 -10.743 1.00 31.44 C ATOM 289 NZ LYS A 18 -26.453 -15.842 -10.988 1.00 32.22 N1+ ATOM 0 H LYS A 18 -20.142 -12.909 -8.700 1.00 52.14 H new ATOM 0 HA LYS A 18 -21.821 -14.669 -10.183 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -23.374 -13.110 -8.671 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -23.003 -11.914 -9.898 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -24.388 -12.865 -11.403 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -23.775 -14.476 -11.086 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -25.194 -14.667 -9.085 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -25.742 -13.014 -9.280 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -27.493 -14.131 -10.299 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -26.470 -13.845 -11.693 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -27.230 -16.129 -11.617 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -25.543 -16.073 -11.434 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -26.534 -16.350 -10.084 1.00 32.22 H new ATOM 303 N LYS A 19 -20.913 -13.557 -12.207 1.00 12.44 N ATOM 304 CA LYS A 19 -20.243 -12.989 -13.372 1.00 30.35 C ATOM 305 C LYS A 19 -21.035 -11.815 -13.937 1.00 22.33 C ATOM 306 O LYS A 19 -20.526 -11.043 -14.751 1.00 13.24 O ATOM 307 CB LYS A 19 -20.057 -14.059 -14.451 1.00 52.34 C ATOM 308 CG LYS A 19 -18.985 -13.715 -15.469 1.00 43.25 C ATOM 309 CD LYS A 19 -19.581 -13.466 -16.845 1.00 35.41 C ATOM 310 CE LYS A 19 -18.908 -12.292 -17.539 1.00 22.10 C ATOM 311 NZ LYS A 19 -17.674 -12.708 -18.262 1.00 2.42 N1+ ATOM 0 H LYS A 19 -21.331 -14.474 -12.367 1.00 12.44 H new ATOM 0 HA LYS A 19 -19.265 -12.626 -13.056 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -19.802 -15.005 -13.973 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -21.004 -14.209 -14.969 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -18.442 -12.829 -15.141 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -18.262 -14.529 -15.527 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -19.474 -14.362 -17.457 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -20.649 -13.271 -16.750 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -19.606 -11.838 -18.243 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -18.657 -11.529 -16.802 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -17.245 -11.880 -18.722 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -16.998 -13.118 -17.587 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -17.917 -13.417 -18.983 1.00 2.42 H new ATOM 325 N THR A 20 -22.283 -11.684 -13.499 1.00 74.11 N ATOM 326 CA THR A 20 -23.145 -10.603 -13.960 1.00 2.32 C ATOM 327 C THR A 20 -23.911 -9.976 -12.801 1.00 43.42 C ATOM 328 O THR A 20 -25.076 -10.296 -12.569 1.00 50.52 O ATOM 329 CB THR A 20 -24.151 -11.098 -15.017 1.00 75.53 C ATOM 330 OG1 THR A 20 -24.761 -12.318 -14.578 1.00 14.51 O ATOM 331 CG2 THR A 20 -23.464 -11.323 -16.355 1.00 11.21 C ATOM 0 H THR A 20 -22.719 -12.313 -12.825 1.00 74.11 H new ATOM 0 HA THR A 20 -22.495 -9.852 -14.410 1.00 2.32 H new ATOM 0 HB THR A 20 -24.917 -10.333 -15.144 1.00 75.53 H new ATOM 0 HG1 THR A 20 -25.190 -12.175 -13.708 1.00 14.51 H new ATOM 0 HG21 THR A 20 -24.194 -11.672 -17.085 1.00 11.21 H new ATOM 0 HG22 THR A 20 -23.025 -10.387 -16.700 1.00 11.21 H new ATOM 0 HG23 THR A 20 -22.680 -12.071 -16.240 1.00 11.21 H new ATOM 339 N GLY A 21 -23.248 -9.081 -12.074 1.00 32.30 N ATOM 340 CA GLY A 21 -23.883 -8.424 -10.948 1.00 50.33 C ATOM 341 C GLY A 21 -23.042 -7.294 -10.386 1.00 2.24 C ATOM 342 O GLY A 21 -22.774 -7.247 -9.187 1.00 35.14 O ATOM 0 H GLY A 21 -22.283 -8.800 -12.246 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -24.851 -8.032 -11.259 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -24.073 -9.157 -10.163 1.00 50.33 H new ATOM 346 N GLY A 22 -22.624 -6.381 -11.258 1.00 31.51 N ATOM 347 CA GLY A 22 -21.811 -5.259 -10.824 1.00 45.51 C ATOM 348 C GLY A 22 -20.353 -5.416 -11.209 1.00 10.31 C ATOM 349 O GLY A 22 -19.672 -6.324 -10.733 1.00 73.31 O ATOM 0 H GLY A 22 -22.834 -6.398 -12.256 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -22.202 -4.340 -11.261 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -21.889 -5.155 -9.742 1.00 45.51 H new ATOM 353 N TYR A 23 -19.874 -4.531 -12.076 1.00 71.54 N ATOM 354 CA TYR A 23 -18.489 -4.578 -12.530 1.00 55.03 C ATOM 355 C TYR A 23 -17.704 -3.378 -12.008 1.00 51.04 C ATOM 356 O TYR A 23 -18.265 -2.330 -11.688 1.00 40.24 O ATOM 357 CB TYR A 23 -18.431 -4.613 -14.057 1.00 51.42 C ATOM 358 CG TYR A 23 -19.262 -5.719 -14.669 1.00 14.11 C ATOM 359 CD1 TYR A 23 -20.634 -5.569 -14.840 1.00 54.44 C ATOM 360 CD2 TYR A 23 -18.678 -6.912 -15.075 1.00 31.13 C ATOM 361 CE1 TYR A 23 -21.398 -6.577 -15.398 1.00 73.33 C ATOM 362 CE2 TYR A 23 -19.434 -7.923 -15.635 1.00 4.11 C ATOM 363 CZ TYR A 23 -20.792 -7.752 -15.794 1.00 61.03 C ATOM 364 OH TYR A 23 -21.550 -8.757 -16.350 1.00 22.01 O ATOM 0 H TYR A 23 -20.424 -3.772 -12.479 1.00 71.54 H new ATOM 0 HA TYR A 23 -18.035 -5.487 -12.135 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -18.773 -3.654 -14.447 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -17.394 -4.733 -14.370 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -21.110 -4.650 -14.532 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -17.614 -7.051 -14.951 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -22.463 -6.446 -15.523 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -18.963 -8.843 -15.947 1.00 4.11 H new ATOM 0 HH TYR A 23 -21.191 -9.627 -16.076 1.00 22.01 H new ATOM 374 N PRO A 24 -16.375 -3.534 -11.921 1.00 64.11 N ATOM 375 CA PRO A 24 -15.483 -2.475 -11.440 1.00 61.32 C ATOM 376 C PRO A 24 -15.382 -1.313 -12.422 1.00 73.43 C ATOM 377 O PRO A 24 -15.124 -0.175 -12.028 1.00 43.22 O ATOM 378 CB PRO A 24 -14.133 -3.182 -11.306 1.00 74.10 C ATOM 379 CG PRO A 24 -14.202 -4.317 -12.268 1.00 61.12 C ATOM 380 CD PRO A 24 -15.641 -4.757 -12.286 1.00 71.12 C ATOM 0 HA PRO A 24 -15.840 -2.031 -10.511 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -13.309 -2.510 -11.545 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -13.971 -3.536 -10.288 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -13.876 -4.007 -13.261 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -13.548 -5.132 -11.958 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -15.937 -5.125 -13.268 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -15.824 -5.563 -11.575 1.00 71.12 H new ATOM 388 N TRP A 25 -15.584 -1.606 -13.701 1.00 72.25 N ATOM 389 CA TRP A 25 -15.515 -0.585 -14.740 1.00 30.04 C ATOM 390 C TRP A 25 -16.875 -0.387 -15.401 1.00 53.24 C ATOM 391 O TRP A 25 -17.199 0.708 -15.858 1.00 23.21 O ATOM 392 CB TRP A 25 -14.473 -0.968 -15.792 1.00 34.53 C ATOM 393 CG TRP A 25 -15.046 -1.739 -16.942 1.00 21.43 C ATOM 394 CD1 TRP A 25 -15.317 -1.264 -18.194 1.00 33.43 C ATOM 395 CD2 TRP A 25 -15.421 -3.120 -16.946 1.00 71.34 C ATOM 396 NE1 TRP A 25 -15.837 -2.268 -18.975 1.00 42.31 N ATOM 397 CE2 TRP A 25 -15.911 -3.417 -18.233 1.00 15.21 C ATOM 398 CE3 TRP A 25 -15.389 -4.137 -15.987 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -16.364 -4.686 -18.583 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -15.840 -5.396 -16.336 1.00 43.32 C ATOM 401 CH2 TRP A 25 -16.322 -5.662 -17.624 1.00 1.43 C ATOM 0 H TRP A 25 -15.797 -2.543 -14.044 1.00 72.25 H new ATOM 0 HA TRP A 25 -15.220 0.354 -14.272 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -14.000 -0.062 -16.171 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -13.691 -1.562 -15.319 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -15.148 -0.249 -18.522 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -16.122 -2.173 -19.950 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -15.019 -3.942 -14.991 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -16.735 -4.893 -19.576 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -15.820 -6.189 -15.603 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -16.667 -6.656 -17.865 1.00 1.43 H new ATOM 412 N GLU A 26 -17.665 -1.455 -15.448 1.00 72.34 N ATOM 413 CA GLU A 26 -18.991 -1.398 -16.054 1.00 31.52 C ATOM 414 C GLU A 26 -20.074 -1.285 -14.985 1.00 33.20 C ATOM 415 O GLU A 26 -20.633 -2.290 -14.545 1.00 21.44 O ATOM 416 CB GLU A 26 -19.236 -2.637 -16.916 1.00 44.33 C ATOM 417 CG GLU A 26 -19.278 -2.345 -18.406 1.00 60.34 C ATOM 418 CD GLU A 26 -20.548 -2.847 -19.064 1.00 44.43 C ATOM 419 OE1 GLU A 26 -20.823 -4.061 -18.975 1.00 23.22 O ATOM 420 OE2 GLU A 26 -21.269 -2.024 -19.667 1.00 4.41 O1- ATOM 0 H GLU A 26 -17.411 -2.369 -15.074 1.00 72.34 H new ATOM 0 HA GLU A 26 -19.035 -0.511 -16.686 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -18.450 -3.367 -16.720 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -20.179 -3.096 -16.618 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -19.192 -1.270 -18.564 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -18.417 -2.808 -18.887 1.00 60.34 H new ATOM 427 N ARG A 27 -20.364 -0.056 -14.573 1.00 44.35 N ATOM 428 CA ARG A 27 -21.378 0.189 -13.554 1.00 14.45 C ATOM 429 C ARG A 27 -22.129 1.488 -13.835 1.00 63.40 C ATOM 430 O ARG A 27 -21.561 2.576 -13.748 1.00 51.24 O ATOM 431 CB ARG A 27 -20.735 0.250 -12.168 1.00 64.51 C ATOM 432 CG ARG A 27 -21.596 -0.356 -11.070 1.00 64.01 C ATOM 433 CD ARG A 27 -22.628 0.637 -10.560 1.00 33.30 C ATOM 434 NE ARG A 27 -22.008 1.844 -10.022 1.00 54.14 N ATOM 435 CZ ARG A 27 -21.390 1.891 -8.846 1.00 4.33 C ATOM 436 NH1 ARG A 27 -21.311 0.804 -8.092 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -20.850 3.027 -8.425 1.00 42.52 N ATOM 0 H ARG A 27 -19.911 0.786 -14.929 1.00 44.35 H new ATOM 0 HA ARG A 27 -22.090 -0.636 -13.581 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -19.778 -0.271 -12.197 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -20.524 1.290 -11.920 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -22.101 -1.244 -11.450 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -20.961 -0.679 -10.245 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -23.303 0.907 -11.372 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -23.234 0.165 -9.786 1.00 33.30 H new ATOM 0 HE ARG A 27 -22.051 2.698 -10.579 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -21.725 -0.071 -8.414 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -20.836 0.842 -7.190 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -20.909 3.865 -9.004 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -20.376 3.063 -7.523 1.00 42.52 H new ATOM 451 N GLY A 28 -23.409 1.365 -14.174 1.00 65.44 N ATOM 452 CA GLY A 28 -24.215 2.535 -14.463 1.00 65.51 C ATOM 453 C GLY A 28 -24.342 2.799 -15.950 1.00 63.23 C ATOM 454 O GLY A 28 -23.657 3.666 -16.495 1.00 64.12 O ATOM 0 H GLY A 28 -23.901 0.475 -14.253 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -25.208 2.403 -14.035 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -23.772 3.406 -13.979 1.00 65.51 H new ATOM 458 N LYS A 29 -25.218 2.050 -16.610 1.00 32.43 N ATOM 459 CA LYS A 29 -25.432 2.207 -18.044 1.00 50.03 C ATOM 460 C LYS A 29 -26.229 3.473 -18.341 1.00 32.31 C ATOM 461 O LYS A 29 -26.099 4.063 -19.413 1.00 52.13 O ATOM 462 CB LYS A 29 -26.165 0.987 -18.607 1.00 52.24 C ATOM 463 CG LYS A 29 -27.516 0.737 -17.961 1.00 1.10 C ATOM 464 CD LYS A 29 -27.604 -0.662 -17.375 1.00 42.12 C ATOM 465 CE LYS A 29 -29.048 -1.121 -17.243 1.00 31.11 C ATOM 466 NZ LYS A 29 -29.455 -1.271 -15.818 1.00 23.05 N1+ ATOM 0 H LYS A 29 -25.792 1.328 -16.175 1.00 32.43 H new ATOM 0 HA LYS A 29 -24.457 2.292 -18.524 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -26.304 1.120 -19.680 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -25.539 0.104 -18.474 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -27.686 1.473 -17.175 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -28.305 0.873 -18.701 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -27.056 -1.359 -18.010 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -27.125 -0.678 -16.396 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -29.704 -0.402 -17.734 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -29.175 -2.073 -17.759 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -30.445 -1.585 -15.771 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -28.846 -1.976 -15.355 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -29.358 -0.357 -15.331 1.00 23.05 H new ATOM 480 N ALA A 30 -27.052 3.887 -17.382 1.00 52.51 N ATOM 481 CA ALA A 30 -27.866 5.085 -17.540 1.00 34.32 C ATOM 482 C ALA A 30 -27.083 6.336 -17.157 1.00 4.04 C ATOM 483 O ALA A 30 -26.103 6.263 -16.415 1.00 72.01 O ATOM 484 CB ALA A 30 -29.132 4.976 -16.703 1.00 45.32 C ATOM 0 H ALA A 30 -27.172 3.410 -16.488 1.00 52.51 H new ATOM 0 HA ALA A 30 -28.143 5.170 -18.591 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -29.731 5.878 -16.830 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -29.708 4.109 -17.026 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -28.865 4.863 -15.652 1.00 45.32 H new TER 490 ALA A 30