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+ -172:sc= 0 (180deg=-0.0533) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 69:sc= 0.113 USER MOD Single : A 16 HIS : no HD1:sc= -0.0146 X(o=-0.015,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 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 1.329 0.000 0.000 1.00 45.13 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 22.32 C ATOM 3 C MET A 1 1.260 0.556 -2.393 1.00 60.01 C ATOM 4 O MET A 1 1.750 1.344 -3.203 1.00 15.42 O ATOM 5 CB MET A 1 2.562 -1.418 -1.577 1.00 71.13 C ATOM 6 CG MET A 1 3.985 -1.477 -2.108 1.00 13.53 C ATOM 7 SD MET A 1 4.307 -2.969 -3.068 1.00 44.03 S ATOM 8 CE MET A 1 4.438 -4.190 -1.763 1.00 62.12 C ATOM 0 H1 MET A 1 1.954 -0.254 0.792 1.00 45.13 H new ATOM 0 H2 MET A 1 0.931 0.947 0.162 1.00 45.13 H new ATOM 0 H3 MET A 1 0.556 -0.693 -0.067 1.00 45.13 H new ATOM 0 HA MET A 1 2.964 0.639 -1.103 1.00 22.32 H new ATOM 0 HB2 MET A 1 2.491 -2.037 -0.682 1.00 71.13 H new ATOM 0 HB3 MET A 1 1.888 -1.849 -2.317 1.00 71.13 H new ATOM 0 HG2 MET A 1 4.173 -0.602 -2.730 1.00 13.53 H new ATOM 0 HG3 MET A 1 4.683 -1.430 -1.272 1.00 13.53 H new ATOM 0 HE1 MET A 1 4.637 -5.169 -2.199 1.00 62.12 H new ATOM 0 HE2 MET A 1 5.253 -3.919 -1.092 1.00 62.12 H new ATOM 0 HE3 MET A 1 3.504 -4.226 -1.203 1.00 62.12 H new ATOM 18 N LYS A 2 -0.001 0.143 -2.459 1.00 43.02 N ATOM 19 CA LYS A 2 -0.902 0.601 -3.510 1.00 24.01 C ATOM 20 C LYS A 2 -2.355 0.530 -3.049 1.00 21.24 C ATOM 21 O LYS A 2 -2.942 -0.550 -2.973 1.00 41.40 O ATOM 22 CB LYS A 2 -0.715 -0.242 -4.774 1.00 42.41 C ATOM 23 CG LYS A 2 0.491 0.164 -5.602 1.00 13.34 C ATOM 24 CD LYS A 2 0.179 0.145 -7.089 1.00 42.34 C ATOM 25 CE LYS A 2 1.427 0.388 -7.924 1.00 74.33 C ATOM 26 NZ LYS A 2 1.093 0.859 -9.297 1.00 51.53 N1+ ATOM 0 H LYS A 2 -0.422 -0.508 -1.797 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.660 1.640 -3.735 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.615 -1.290 -4.490 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.611 -0.163 -5.389 1.00 42.41 H new ATOM 0 HG2 LYS A 2 0.814 1.163 -5.310 1.00 13.34 H new ATOM 0 HG3 LYS A 2 1.320 -0.512 -5.395 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.258 -0.817 -7.358 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.566 0.908 -7.315 1.00 42.34 H new ATOM 0 HE2 LYS A 2 2.056 1.128 -7.429 1.00 74.33 H new ATOM 0 HE3 LYS A 2 2.007 -0.533 -7.987 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.970 1.013 -9.834 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 0.514 0.142 -9.779 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 0.562 1.751 -9.238 1.00 51.53 H new ATOM 40 N THR A 3 -2.931 1.688 -2.743 1.00 15.52 N ATOM 41 CA THR A 3 -4.314 1.758 -2.290 1.00 53.32 C ATOM 42 C THR A 3 -5.249 1.054 -3.268 1.00 71.41 C ATOM 43 O THR A 3 -6.305 0.553 -2.880 1.00 32.43 O ATOM 44 CB THR A 3 -4.776 3.217 -2.116 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.740 4.112 -2.536 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.140 3.500 -0.666 1.00 15.42 C ATOM 0 H THR A 3 -2.460 2.591 -2.801 1.00 15.52 H new ATOM 0 HA THR A 3 -4.356 1.254 -1.324 1.00 53.32 H new ATOM 0 HB THR A 3 -5.661 3.371 -2.733 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.042 5.038 -2.424 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.463 4.536 -0.568 1.00 15.42 H new ATOM 0 HG22 THR A 3 -5.948 2.837 -0.358 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.270 3.330 -0.032 1.00 15.42 H new ATOM 54 N ILE A 4 -4.854 1.021 -4.536 1.00 72.43 N ATOM 55 CA ILE A 4 -5.656 0.377 -5.569 1.00 30.21 C ATOM 56 C ILE A 4 -5.834 -1.110 -5.279 1.00 53.51 C ATOM 57 O ILE A 4 -6.810 -1.725 -5.711 1.00 24.42 O ATOM 58 CB ILE A 4 -5.021 0.544 -6.962 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.649 -0.133 -7.005 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.901 2.019 -7.315 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.610 -1.361 -7.887 1.00 71.24 C ATOM 0 H ILE A 4 -3.984 1.433 -4.873 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.630 0.866 -5.562 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.665 0.065 -7.699 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.910 0.584 -7.361 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.359 -0.413 -5.992 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.450 2.121 -8.302 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.892 2.474 -7.319 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.275 2.520 -6.577 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.608 -1.789 -7.870 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.325 -2.096 -7.519 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.869 -1.083 -8.909 1.00 71.24 H new ATOM 73 N LEU A 5 -4.887 -1.681 -4.543 1.00 20.13 N ATOM 74 CA LEU A 5 -4.940 -3.097 -4.193 1.00 54.31 C ATOM 75 C LEU A 5 -6.233 -3.427 -3.456 1.00 41.10 C ATOM 76 O LEU A 5 -6.888 -4.427 -3.749 1.00 54.45 O ATOM 77 CB LEU A 5 -3.735 -3.473 -3.329 1.00 10.23 C ATOM 78 CG LEU A 5 -2.360 -3.242 -3.956 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.271 -3.316 -2.897 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.101 -4.255 -5.061 1.00 23.34 C ATOM 0 H LEU A 5 -4.074 -1.186 -4.177 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.912 -3.677 -5.116 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.788 -2.905 -2.400 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.818 -4.527 -3.064 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.345 -2.244 -4.394 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.299 -3.149 -3.362 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.447 -2.552 -2.140 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.285 -4.300 -2.429 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.118 -4.076 -5.496 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.136 -5.263 -4.646 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.863 -4.154 -5.833 1.00 23.34 H new ATOM 92 N ARG A 6 -6.596 -2.580 -2.498 1.00 71.11 N ATOM 93 CA ARG A 6 -7.811 -2.782 -1.719 1.00 53.00 C ATOM 94 C ARG A 6 -9.028 -2.904 -2.632 1.00 15.40 C ATOM 95 O ARG A 6 -9.992 -3.599 -2.310 1.00 4.20 O ATOM 96 CB ARG A 6 -8.011 -1.626 -0.738 1.00 71.24 C ATOM 97 CG ARG A 6 -6.953 -1.562 0.352 1.00 71.42 C ATOM 98 CD ARG A 6 -7.339 -0.578 1.445 1.00 1.32 C ATOM 99 NE ARG A 6 -6.294 -0.447 2.457 1.00 13.11 N ATOM 100 CZ ARG A 6 -5.171 0.237 2.269 1.00 74.41 C ATOM 101 NH1 ARG A 6 -4.949 0.850 1.115 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -4.267 0.310 3.238 1.00 75.54 N ATOM 0 H ARG A 6 -6.065 -1.747 -2.243 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.703 -3.711 -1.159 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -8.008 -0.687 -1.291 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -8.993 -1.720 -0.274 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -6.815 -2.553 0.785 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -5.998 -1.268 -0.083 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -7.538 0.397 1.001 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.264 -0.907 1.919 1.00 1.32 H new ATOM 0 HE ARG A 6 -6.434 -0.906 3.357 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -5.642 0.797 0.368 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -4.086 1.374 0.974 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -4.434 -0.159 4.128 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -3.405 0.835 3.093 1.00 75.54 H new ATOM 116 N PHE A 7 -8.976 -2.224 -3.773 1.00 62.32 N ATOM 117 CA PHE A 7 -10.074 -2.255 -4.732 1.00 71.51 C ATOM 118 C PHE A 7 -10.111 -3.588 -5.473 1.00 5.41 C ATOM 119 O PHE A 7 -11.096 -4.323 -5.404 1.00 43.40 O ATOM 120 CB PHE A 7 -9.938 -1.106 -5.733 1.00 55.54 C ATOM 121 CG PHE A 7 -10.043 0.253 -5.103 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.971 0.795 -4.411 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.212 0.989 -5.202 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.065 2.045 -3.829 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.312 2.240 -4.623 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.237 2.769 -3.936 1.00 22.42 C ATOM 0 H PHE A 7 -8.185 -1.645 -4.056 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.008 -2.139 -4.181 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.977 -1.189 -6.241 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.711 -1.205 -6.495 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.052 0.234 -4.326 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.056 0.580 -5.738 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.223 2.456 -3.291 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.230 2.803 -4.708 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.312 3.747 -3.483 1.00 22.42 H new ATOM 136 N VAL A 8 -9.029 -3.894 -6.183 1.00 53.12 N ATOM 137 CA VAL A 8 -8.936 -5.138 -6.938 1.00 31.45 C ATOM 138 C VAL A 8 -9.122 -6.348 -6.028 1.00 55.51 C ATOM 139 O VAL A 8 -9.612 -7.391 -6.459 1.00 51.14 O ATOM 140 CB VAL A 8 -7.581 -5.257 -7.660 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.455 -5.444 -6.655 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.610 -6.402 -8.661 1.00 55.23 C ATOM 0 H VAL A 8 -8.205 -3.297 -6.251 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.734 -5.118 -7.680 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.397 -4.332 -8.206 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.505 -5.526 -7.184 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.422 -4.588 -5.982 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.629 -6.353 -6.078 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.645 -6.472 -9.162 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.816 -7.336 -8.139 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.390 -6.219 -9.400 1.00 55.23 H new ATOM 152 N ALA A 9 -8.728 -6.199 -4.768 1.00 65.43 N ATOM 153 CA ALA A 9 -8.854 -7.278 -3.796 1.00 41.13 C ATOM 154 C ALA A 9 -10.298 -7.754 -3.688 1.00 25.11 C ATOM 155 O ALA A 9 -10.560 -8.890 -3.295 1.00 71.55 O ATOM 156 CB ALA A 9 -8.341 -6.827 -2.436 1.00 42.33 C ATOM 0 H ALA A 9 -8.319 -5.342 -4.396 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.248 -8.116 -4.140 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.441 -7.643 -1.720 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.292 -6.544 -2.519 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.922 -5.971 -2.094 1.00 42.33 H new ATOM 162 N GLY A 10 -11.234 -6.876 -4.038 1.00 61.41 N ATOM 163 CA GLY A 10 -12.641 -7.226 -3.972 1.00 25.11 C ATOM 164 C GLY A 10 -13.129 -7.907 -5.235 1.00 3.31 C ATOM 165 O GLY A 10 -13.990 -8.786 -5.182 1.00 52.42 O ATOM 0 H GLY A 10 -11.043 -5.929 -4.366 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.809 -7.885 -3.120 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.229 -6.325 -3.799 1.00 25.11 H new ATOM 169 N TYR A 11 -12.580 -7.500 -6.374 1.00 42.22 N ATOM 170 CA TYR A 11 -12.968 -8.075 -7.657 1.00 72.35 C ATOM 171 C TYR A 11 -12.817 -9.593 -7.643 1.00 14.31 C ATOM 172 O TYR A 11 -13.735 -10.323 -8.015 1.00 43.11 O ATOM 173 CB TYR A 11 -12.123 -7.477 -8.784 1.00 61.03 C ATOM 174 CG TYR A 11 -12.361 -8.126 -10.128 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.646 -8.431 -10.558 1.00 33.13 C ATOM 176 CD2 TYR A 11 -11.299 -8.434 -10.970 1.00 43.03 C ATOM 177 CE1 TYR A 11 -13.868 -9.025 -11.785 1.00 14.35 C ATOM 178 CE2 TYR A 11 -11.511 -9.027 -12.200 1.00 4.31 C ATOM 179 CZ TYR A 11 -12.797 -9.321 -12.603 1.00 64.34 C ATOM 180 OH TYR A 11 -13.013 -9.911 -13.827 1.00 61.13 O ATOM 0 H TYR A 11 -11.865 -6.775 -6.435 1.00 42.22 H new ATOM 0 HA TYR A 11 -14.017 -7.835 -7.831 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.338 -6.411 -8.861 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.068 -7.572 -8.526 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.487 -8.199 -9.921 1.00 33.13 H new ATOM 0 HD2 TYR A 11 -10.291 -8.206 -10.658 1.00 43.03 H new ATOM 0 HE1 TYR A 11 -14.874 -9.256 -12.102 1.00 14.35 H new ATOM 0 HE2 TYR A 11 -10.674 -9.259 -12.842 1.00 4.31 H new ATOM 0 HH TYR A 11 -12.155 -10.051 -14.278 1.00 61.13 H new ATOM 190 N ASP A 12 -11.651 -10.060 -7.210 1.00 65.02 N ATOM 191 CA ASP A 12 -11.377 -11.490 -7.144 1.00 75.54 C ATOM 192 C ASP A 12 -12.453 -12.213 -6.340 1.00 41.32 C ATOM 193 O ASP A 12 -12.729 -13.391 -6.571 1.00 63.40 O ATOM 194 CB ASP A 12 -10.003 -11.741 -6.521 1.00 50.20 C ATOM 195 CG ASP A 12 -9.416 -13.077 -6.930 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.914 -14.117 -6.448 1.00 0.04 O ATOM 197 OD2 ASP A 12 -8.460 -13.084 -7.733 1.00 71.04 O1- ATOM 0 H ASP A 12 -10.880 -9.468 -6.899 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.383 -11.882 -8.161 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.322 -10.943 -6.817 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -10.087 -11.702 -5.435 1.00 50.20 H new ATOM 202 N ILE A 13 -13.057 -11.501 -5.394 1.00 22.04 N ATOM 203 CA ILE A 13 -14.102 -12.075 -4.556 1.00 12.43 C ATOM 204 C ILE A 13 -15.468 -11.958 -5.224 1.00 51.45 C ATOM 205 O ILE A 13 -16.335 -12.812 -5.041 1.00 22.14 O ATOM 206 CB ILE A 13 -14.158 -11.390 -3.178 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.763 -11.346 -2.549 1.00 34.34 C ATOM 208 CG2 ILE A 13 -15.133 -12.117 -2.264 1.00 53.52 C ATOM 209 CD1 ILE A 13 -12.134 -12.711 -2.378 1.00 32.12 C ATOM 0 H ILE A 13 -12.840 -10.526 -5.189 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.855 -13.128 -4.420 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.509 -10.367 -3.312 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.112 -10.730 -3.170 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.827 -10.860 -1.575 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.161 -11.621 -1.294 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -16.128 -12.102 -2.708 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.809 -13.150 -2.134 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -11.148 -12.603 -1.927 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.763 -13.323 -1.732 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -12.037 -13.192 -3.352 1.00 32.12 H new ATOM 221 N ALA A 14 -15.652 -10.896 -6.002 1.00 52.22 N ATOM 222 CA ALA A 14 -16.911 -10.670 -6.701 1.00 55.53 C ATOM 223 C ALA A 14 -17.062 -11.624 -7.881 1.00 42.14 C ATOM 224 O ALA A 14 -18.177 -11.932 -8.303 1.00 70.44 O ATOM 225 CB ALA A 14 -17.000 -9.226 -7.172 1.00 43.50 C ATOM 0 H ALA A 14 -14.945 -10.179 -6.164 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.726 -10.864 -6.004 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.945 -9.071 -7.692 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.945 -8.559 -6.312 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.173 -9.013 -7.850 1.00 43.50 H new ATOM 231 N SER A 15 -15.934 -12.088 -8.410 1.00 12.33 N ATOM 232 CA SER A 15 -15.942 -13.004 -9.545 1.00 20.03 C ATOM 233 C SER A 15 -16.531 -14.355 -9.149 1.00 21.21 C ATOM 234 O SER A 15 -17.112 -15.058 -9.976 1.00 23.43 O ATOM 235 CB SER A 15 -14.524 -13.192 -10.085 1.00 21.01 C ATOM 236 OG SER A 15 -14.282 -12.338 -11.190 1.00 30.13 O ATOM 0 H SER A 15 -15.003 -11.845 -8.071 1.00 12.33 H new ATOM 0 HA SER A 15 -16.566 -12.570 -10.326 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.801 -12.985 -9.296 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.380 -14.230 -10.385 1.00 21.01 H new ATOM 0 HG SER A 15 -14.251 -11.408 -10.884 1.00 30.13 H new ATOM 242 N HIS A 16 -16.376 -14.711 -7.877 1.00 53.24 N ATOM 243 CA HIS A 16 -16.892 -15.977 -7.370 1.00 35.24 C ATOM 244 C HIS A 16 -18.285 -15.796 -6.774 1.00 4.32 C ATOM 245 O HIS A 16 -19.172 -16.625 -6.979 1.00 21.51 O ATOM 246 CB HIS A 16 -15.945 -16.553 -6.317 1.00 4.42 C ATOM 247 CG HIS A 16 -14.613 -16.958 -6.867 1.00 62.13 C ATOM 248 ND1 HIS A 16 -13.512 -17.202 -6.073 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.207 -17.165 -8.142 1.00 31.25 C ATOM 250 CE1 HIS A 16 -12.487 -17.539 -6.835 1.00 21.44 C ATOM 251 NE2 HIS A 16 -12.883 -17.525 -8.095 1.00 3.45 N ATOM 0 H HIS A 16 -15.898 -14.141 -7.180 1.00 53.24 H new ATOM 0 HA HIS A 16 -16.961 -16.674 -8.205 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -15.795 -15.812 -5.532 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -16.416 -17.419 -5.852 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -14.812 -17.065 -9.031 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -11.494 -17.784 -6.487 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.300 -17.746 -8.902 1.00 3.45 H new ATOM 259 N LYS A 17 -18.470 -14.708 -6.035 1.00 61.21 N ATOM 260 CA LYS A 17 -19.755 -14.417 -5.409 1.00 22.12 C ATOM 261 C LYS A 17 -20.854 -14.287 -6.458 1.00 0.25 C ATOM 262 O LYS A 17 -21.701 -15.170 -6.597 1.00 10.32 O ATOM 263 CB LYS A 17 -19.665 -13.129 -4.587 1.00 44.13 C ATOM 264 CG LYS A 17 -18.910 -13.293 -3.279 1.00 25.14 C ATOM 265 CD LYS A 17 -19.740 -14.036 -2.246 1.00 21.12 C ATOM 266 CE LYS A 17 -19.146 -13.899 -0.852 1.00 41.30 C ATOM 267 NZ LYS A 17 -18.155 -14.973 -0.564 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.746 -14.012 -5.854 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.005 -15.246 -4.747 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.176 -12.360 -5.185 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -20.673 -12.774 -4.373 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -17.982 -13.835 -3.459 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -18.636 -12.312 -2.890 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -20.759 -13.648 -2.249 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -19.800 -15.090 -2.515 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -18.665 -12.926 -0.756 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -19.945 -13.934 -0.112 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -17.773 -14.845 0.395 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -18.620 -15.901 -0.631 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -17.379 -14.924 -1.255 1.00 5.43 H new ATOM 281 N LYS A 18 -20.835 -13.182 -7.195 1.00 52.14 N ATOM 282 CA LYS A 18 -21.828 -12.937 -8.234 1.00 54.44 C ATOM 283 C LYS A 18 -21.438 -11.734 -9.087 1.00 32.34 C ATOM 284 O LYS A 18 -20.746 -10.828 -8.621 1.00 34.21 O ATOM 285 CB LYS A 18 -23.205 -12.707 -7.608 1.00 42.22 C ATOM 286 CG LYS A 18 -23.258 -11.507 -6.679 1.00 44.35 C ATOM 287 CD LYS A 18 -24.532 -11.499 -5.851 1.00 64.32 C ATOM 288 CE LYS A 18 -24.873 -10.098 -5.367 1.00 31.44 C ATOM 289 NZ LYS A 18 -25.547 -10.119 -4.039 1.00 32.22 N1+ ATOM 0 H LYS A 18 -20.142 -12.441 -7.092 1.00 52.14 H new ATOM 0 HA LYS A 18 -21.870 -13.817 -8.876 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -23.938 -12.573 -8.403 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -23.496 -13.599 -7.053 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -22.392 -11.520 -6.017 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -23.198 -10.590 -7.264 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -25.357 -11.890 -6.447 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -24.415 -12.163 -4.994 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -23.961 -9.504 -5.302 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -25.520 -9.610 -6.095 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -25.763 -9.145 -3.744 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -26.430 -10.664 -4.106 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -24.919 -10.562 -3.338 1.00 32.22 H new ATOM 303 N LYS A 19 -21.888 -11.730 -10.337 1.00 12.44 N ATOM 304 CA LYS A 19 -21.589 -10.636 -11.255 1.00 30.35 C ATOM 305 C LYS A 19 -22.841 -10.204 -12.012 1.00 22.33 C ATOM 306 O LYS A 19 -23.404 -10.973 -12.792 1.00 13.24 O ATOM 307 CB LYS A 19 -20.501 -11.057 -12.245 1.00 52.34 C ATOM 308 CG LYS A 19 -20.140 -9.975 -13.248 1.00 43.25 C ATOM 309 CD LYS A 19 -20.827 -10.202 -14.584 1.00 35.41 C ATOM 310 CE LYS A 19 -20.289 -11.441 -15.284 1.00 22.10 C ATOM 311 NZ LYS A 19 -19.466 -11.092 -16.475 1.00 2.42 N1+ ATOM 0 H LYS A 19 -22.461 -12.472 -10.738 1.00 12.44 H new ATOM 0 HA LYS A 19 -21.230 -9.790 -10.669 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -19.606 -11.340 -11.690 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -20.835 -11.944 -12.784 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -20.426 -9.000 -12.852 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -19.060 -9.957 -13.392 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -21.901 -10.308 -14.429 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -20.681 -9.330 -15.222 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -19.687 -12.021 -14.584 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -21.121 -12.075 -15.591 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -19.118 -11.963 -16.924 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -20.047 -10.560 -17.155 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -18.658 -10.508 -16.179 1.00 2.42 H new ATOM 325 N THR A 20 -23.271 -8.968 -11.779 1.00 74.11 N ATOM 326 CA THR A 20 -24.455 -8.434 -12.439 1.00 2.32 C ATOM 327 C THR A 20 -24.481 -6.911 -12.374 1.00 43.42 C ATOM 328 O THR A 20 -25.000 -6.330 -11.422 1.00 50.52 O ATOM 329 CB THR A 20 -25.748 -8.986 -11.808 1.00 75.53 C ATOM 330 OG1 THR A 20 -25.535 -9.263 -10.419 1.00 14.51 O ATOM 331 CG2 THR A 20 -26.199 -10.252 -12.519 1.00 11.21 C ATOM 0 H THR A 20 -22.816 -8.318 -11.138 1.00 74.11 H new ATOM 0 HA THR A 20 -24.405 -8.750 -13.481 1.00 2.32 H new ATOM 0 HB THR A 20 -26.528 -8.232 -11.913 1.00 75.53 H new ATOM 0 HG1 THR A 20 -26.362 -9.612 -10.024 1.00 14.51 H new ATOM 0 HG21 THR A 20 -27.113 -10.623 -12.056 1.00 11.21 H new ATOM 0 HG22 THR A 20 -26.388 -10.032 -13.570 1.00 11.21 H new ATOM 0 HG23 THR A 20 -25.420 -11.010 -12.442 1.00 11.21 H new ATOM 339 N GLY A 21 -23.918 -6.270 -13.393 1.00 32.30 N ATOM 340 CA GLY A 21 -23.889 -4.819 -13.432 1.00 50.33 C ATOM 341 C GLY A 21 -23.110 -4.287 -14.618 1.00 2.24 C ATOM 342 O GLY A 21 -23.599 -3.437 -15.360 1.00 35.14 O ATOM 0 H GLY A 21 -23.481 -6.729 -14.192 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -24.910 -4.439 -13.472 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -23.444 -4.443 -12.511 1.00 50.33 H new ATOM 346 N GLY A 22 -21.891 -4.787 -14.796 1.00 31.51 N ATOM 347 CA GLY A 22 -21.061 -4.343 -15.901 1.00 45.51 C ATOM 348 C GLY A 22 -19.586 -4.340 -15.554 1.00 10.31 C ATOM 349 O GLY A 22 -18.874 -5.306 -15.829 1.00 73.31 O ATOM 0 H GLY A 22 -21.463 -5.491 -14.195 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -21.228 -4.993 -16.760 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -21.363 -3.339 -16.198 1.00 45.51 H new ATOM 353 N TYR A 23 -19.124 -3.251 -14.949 1.00 71.54 N ATOM 354 CA TYR A 23 -17.723 -3.124 -14.567 1.00 55.03 C ATOM 355 C TYR A 23 -17.588 -2.850 -13.073 1.00 51.04 C ATOM 356 O TYR A 23 -18.502 -2.342 -12.424 1.00 40.24 O ATOM 357 CB TYR A 23 -17.054 -2.003 -15.365 1.00 51.42 C ATOM 358 CG TYR A 23 -17.222 -2.142 -16.862 1.00 14.11 C ATOM 359 CD1 TYR A 23 -18.392 -1.733 -17.490 1.00 31.13 C ATOM 360 CD2 TYR A 23 -16.211 -2.681 -17.647 1.00 54.44 C ATOM 361 CE1 TYR A 23 -18.550 -1.859 -18.857 1.00 4.11 C ATOM 362 CE2 TYR A 23 -16.359 -2.809 -19.014 1.00 73.33 C ATOM 363 CZ TYR A 23 -17.531 -2.397 -19.615 1.00 61.03 C ATOM 364 OH TYR A 23 -17.684 -2.522 -20.976 1.00 22.01 O ATOM 0 H TYR A 23 -19.700 -2.443 -14.713 1.00 71.54 H new ATOM 0 HA TYR A 23 -17.225 -4.067 -14.791 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -17.469 -1.046 -15.049 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -15.990 -1.984 -15.127 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -19.191 -1.310 -16.900 1.00 31.13 H new ATOM 0 HD2 TYR A 23 -15.293 -3.006 -17.180 1.00 54.44 H new ATOM 0 HE1 TYR A 23 -19.467 -1.538 -19.329 1.00 4.11 H new ATOM 0 HE2 TYR A 23 -15.562 -3.229 -19.609 1.00 73.33 H new ATOM 0 HH TYR A 23 -16.874 -2.918 -21.361 1.00 22.01 H new ATOM 374 N PRO A 24 -16.419 -3.193 -12.513 1.00 64.11 N ATOM 375 CA PRO A 24 -16.134 -2.992 -11.089 1.00 61.32 C ATOM 376 C PRO A 24 -15.985 -1.518 -10.729 1.00 73.43 C ATOM 377 O PRO A 24 -16.242 -1.118 -9.594 1.00 43.22 O ATOM 378 CB PRO A 24 -14.808 -3.729 -10.885 1.00 74.10 C ATOM 379 CG PRO A 24 -14.162 -3.726 -12.228 1.00 61.12 C ATOM 380 CD PRO A 24 -15.284 -3.803 -13.226 1.00 71.12 C ATOM 0 HA PRO A 24 -16.943 -3.358 -10.456 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -14.185 -3.226 -10.145 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -14.971 -4.745 -10.526 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -13.570 -2.822 -12.375 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -13.484 -4.572 -12.337 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -15.046 -3.260 -14.141 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -15.497 -4.833 -13.513 1.00 71.12 H new ATOM 388 N TRP A 25 -15.570 -0.716 -11.702 1.00 72.25 N ATOM 389 CA TRP A 25 -15.388 0.715 -11.488 1.00 30.04 C ATOM 390 C TRP A 25 -16.367 1.522 -12.334 1.00 53.24 C ATOM 391 O TRP A 25 -16.780 2.614 -11.947 1.00 23.21 O ATOM 392 CB TRP A 25 -13.951 1.123 -11.820 1.00 34.53 C ATOM 393 CG TRP A 25 -13.774 1.570 -13.240 1.00 21.43 C ATOM 394 CD1 TRP A 25 -13.648 2.855 -13.685 1.00 33.43 C ATOM 395 CD2 TRP A 25 -13.706 0.733 -14.399 1.00 71.34 C ATOM 396 NE1 TRP A 25 -13.505 2.867 -15.051 1.00 42.31 N ATOM 397 CE2 TRP A 25 -13.537 1.578 -15.514 1.00 15.21 C ATOM 398 CE3 TRP A 25 -13.770 -0.648 -14.605 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -13.432 1.085 -16.812 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -13.665 -1.135 -15.894 1.00 43.32 C ATOM 401 CH2 TRP A 25 -13.497 -0.270 -16.984 1.00 1.43 C ATOM 0 H TRP A 25 -15.353 -1.032 -12.647 1.00 72.25 H new ATOM 0 HA TRP A 25 -15.585 0.927 -10.437 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -13.646 1.929 -11.152 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -13.288 0.280 -11.626 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -13.659 3.733 -13.056 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -13.393 3.701 -15.628 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -13.899 -1.323 -13.772 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -13.304 1.750 -17.654 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -13.713 -2.200 -16.064 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -13.417 -0.682 -17.979 1.00 1.43 H new ATOM 412 N GLU A 26 -16.734 0.975 -13.489 1.00 72.34 N ATOM 413 CA GLU A 26 -17.665 1.646 -14.389 1.00 31.52 C ATOM 414 C GLU A 26 -19.067 1.058 -14.259 1.00 33.20 C ATOM 415 O GLU A 26 -19.443 0.154 -15.005 1.00 21.44 O ATOM 416 CB GLU A 26 -17.183 1.530 -15.836 1.00 44.33 C ATOM 417 CG GLU A 26 -16.710 2.847 -16.428 1.00 60.34 C ATOM 418 CD GLU A 26 -17.410 3.187 -17.729 1.00 44.43 C ATOM 419 OE1 GLU A 26 -17.400 2.340 -18.647 1.00 23.22 O ATOM 420 OE2 GLU A 26 -17.968 4.300 -17.830 1.00 4.41 O1- ATOM 0 H GLU A 26 -16.401 0.070 -13.823 1.00 72.34 H new ATOM 0 HA GLU A 26 -17.705 2.699 -14.110 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -16.368 0.807 -15.882 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -17.993 1.136 -16.449 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -16.881 3.647 -15.708 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -15.635 2.798 -16.600 1.00 60.34 H new ATOM 427 N ARG A 27 -19.834 1.576 -13.306 1.00 44.35 N ATOM 428 CA ARG A 27 -21.193 1.102 -13.077 1.00 14.45 C ATOM 429 C ARG A 27 -22.156 1.695 -14.101 1.00 63.40 C ATOM 430 O ARG A 27 -23.185 1.099 -14.419 1.00 51.24 O ATOM 431 CB ARG A 27 -21.651 1.463 -11.663 1.00 64.51 C ATOM 432 CG ARG A 27 -21.582 2.951 -11.362 1.00 64.01 C ATOM 433 CD ARG A 27 -22.960 3.593 -11.408 1.00 33.30 C ATOM 434 NE ARG A 27 -22.934 4.896 -12.066 1.00 54.14 N ATOM 435 CZ ARG A 27 -24.028 5.584 -12.377 1.00 4.33 C ATOM 436 NH1 ARG A 27 -25.226 5.096 -12.089 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -23.923 6.764 -12.975 1.00 42.52 N ATOM 0 H ARG A 27 -19.537 2.324 -12.680 1.00 44.35 H new ATOM 0 HA ARG A 27 -21.195 0.018 -13.187 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -22.676 1.120 -11.524 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -21.034 0.926 -10.942 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -21.141 3.104 -10.377 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -20.928 3.439 -12.084 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -23.650 2.934 -11.936 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -23.341 3.707 -10.393 1.00 33.30 H new ATOM 0 HE ARG A 27 -22.027 5.300 -12.300 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -25.310 4.190 -11.628 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -26.064 5.626 -12.329 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -23.002 7.143 -13.196 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -24.763 7.291 -13.213 1.00 42.52 H new ATOM 451 N GLY A 28 -21.815 2.873 -14.614 1.00 65.44 N ATOM 452 CA GLY A 28 -22.660 3.527 -15.597 1.00 65.51 C ATOM 453 C GLY A 28 -21.905 4.554 -16.418 1.00 63.23 C ATOM 454 O GLY A 28 -20.763 4.324 -16.816 1.00 64.12 O ATOM 0 H GLY A 28 -20.969 3.386 -14.367 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -23.086 2.776 -16.262 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -23.493 4.013 -15.090 1.00 65.51 H new ATOM 458 N LYS A 29 -22.545 5.689 -16.676 1.00 32.43 N ATOM 459 CA LYS A 29 -21.929 6.756 -17.456 1.00 50.03 C ATOM 460 C LYS A 29 -20.937 7.546 -16.608 1.00 32.31 C ATOM 461 O LYS A 29 -19.904 7.996 -17.103 1.00 52.13 O ATOM 462 CB LYS A 29 -23.002 7.694 -18.013 1.00 52.24 C ATOM 463 CG LYS A 29 -23.833 8.373 -16.938 1.00 1.10 C ATOM 464 CD LYS A 29 -25.272 8.569 -17.386 1.00 42.12 C ATOM 465 CE LYS A 29 -25.935 9.718 -16.644 1.00 31.11 C ATOM 466 NZ LYS A 29 -26.693 10.610 -17.565 1.00 23.05 N1+ ATOM 0 H LYS A 29 -23.492 5.894 -16.356 1.00 32.43 H new ATOM 0 HA LYS A 29 -21.389 6.300 -18.286 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -22.523 8.457 -18.626 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -23.664 7.127 -18.668 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -23.813 7.773 -16.028 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -23.393 9.339 -16.693 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -25.297 8.764 -18.458 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -25.835 7.651 -17.216 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -26.610 9.320 -15.887 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -25.175 10.298 -16.120 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -27.130 11.381 -17.020 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -26.044 11.011 -18.272 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -27.435 10.062 -18.046 1.00 23.05 H new ATOM 480 N ALA A 30 -21.258 7.711 -15.329 1.00 52.51 N ATOM 481 CA ALA A 30 -20.394 8.444 -14.413 1.00 34.32 C ATOM 482 C ALA A 30 -20.011 7.584 -13.213 1.00 4.04 C ATOM 483 O ALA A 30 -19.236 8.009 -12.355 1.00 72.01 O ATOM 484 CB ALA A 30 -21.077 9.723 -13.952 1.00 45.32 C ATOM 0 H ALA A 30 -22.111 7.347 -14.904 1.00 52.51 H new ATOM 0 HA ALA A 30 -19.480 8.706 -14.946 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -20.420 10.260 -13.268 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -21.294 10.351 -14.816 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -22.007 9.475 -13.441 1.00 45.32 H new TER 490 ALA A 30