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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.102 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 49:sc= 0.929 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000352) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.136 1.074 0.035 1.00 45.13 N ATOM 2 CA MET A 1 1.005 0.179 -0.172 1.00 22.32 C ATOM 3 C MET A 1 0.022 0.768 -1.179 1.00 60.01 C ATOM 4 O MET A 1 -0.678 1.738 -0.884 1.00 15.42 O ATOM 5 CB MET A 1 0.292 -0.094 1.154 1.00 71.13 C ATOM 6 CG MET A 1 -0.190 -1.528 1.302 1.00 13.53 C ATOM 7 SD MET A 1 1.143 -2.670 1.714 1.00 44.03 S ATOM 8 CE MET A 1 1.010 -3.846 0.371 1.00 62.12 C ATOM 0 H1 MET A 1 2.791 0.652 0.724 1.00 45.13 H new ATOM 0 H2 MET A 1 2.631 1.222 -0.868 1.00 45.13 H new ATOM 0 H3 MET A 1 1.794 1.987 0.397 1.00 45.13 H new ATOM 0 HA MET A 1 1.387 -0.761 -0.571 1.00 22.32 H new ATOM 0 HB2 MET A 1 0.969 0.139 1.976 1.00 71.13 H new ATOM 0 HB3 MET A 1 -0.561 0.578 1.243 1.00 71.13 H new ATOM 0 HG2 MET A 1 -0.954 -1.572 2.078 1.00 13.53 H new ATOM 0 HG3 MET A 1 -0.662 -1.846 0.372 1.00 13.53 H new ATOM 0 HE1 MET A 1 1.771 -4.617 0.486 1.00 62.12 H new ATOM 0 HE2 MET A 1 0.022 -4.306 0.387 1.00 62.12 H new ATOM 0 HE3 MET A 1 1.156 -3.332 -0.579 1.00 62.12 H new ATOM 18 N LYS A 2 -0.026 0.179 -2.368 1.00 43.02 N ATOM 19 CA LYS A 2 -0.923 0.646 -3.419 1.00 24.01 C ATOM 20 C LYS A 2 -2.377 0.563 -2.968 1.00 21.24 C ATOM 21 O LYS A 2 -2.960 -0.521 -2.910 1.00 41.40 O ATOM 22 CB LYS A 2 -0.724 -0.181 -4.692 1.00 42.41 C ATOM 23 CG LYS A 2 0.486 0.240 -5.508 1.00 13.34 C ATOM 24 CD LYS A 2 0.132 1.319 -6.516 1.00 42.34 C ATOM 25 CE LYS A 2 1.304 1.631 -7.434 1.00 74.33 C ATOM 26 NZ LYS A 2 0.957 2.670 -8.443 1.00 51.53 N1+ ATOM 0 H LYS A 2 0.546 -0.624 -2.629 1.00 43.02 H new ATOM 0 HA LYS A 2 -0.685 1.689 -3.630 1.00 24.01 H new ATOM 0 HB2 LYS A 2 -0.621 -1.232 -4.420 1.00 42.41 H new ATOM 0 HB3 LYS A 2 -1.617 -0.098 -5.312 1.00 42.41 H new ATOM 0 HG2 LYS A 2 1.266 0.606 -4.841 1.00 13.34 H new ATOM 0 HG3 LYS A 2 0.893 -0.626 -6.029 1.00 13.34 H new ATOM 0 HD2 LYS A 2 -0.722 0.996 -7.111 1.00 42.34 H new ATOM 0 HD3 LYS A 2 -0.171 2.224 -5.990 1.00 42.34 H new ATOM 0 HE2 LYS A 2 2.151 1.972 -6.839 1.00 74.33 H new ATOM 0 HE3 LYS A 2 1.618 0.720 -7.944 1.00 74.33 H new ATOM 0 HZ1 LYS A 2 1.782 2.854 -9.049 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 0.165 2.335 -9.028 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 0.681 3.547 -7.957 1.00 51.53 H new ATOM 40 N THR A 3 -2.962 1.714 -2.652 1.00 15.52 N ATOM 41 CA THR A 3 -4.348 1.772 -2.208 1.00 53.32 C ATOM 42 C THR A 3 -5.273 1.076 -3.199 1.00 71.41 C ATOM 43 O THR A 3 -6.328 0.564 -2.824 1.00 32.43 O ATOM 44 CB THR A 3 -4.817 3.227 -2.019 1.00 3.35 C ATOM 45 OG1 THR A 3 -3.759 4.131 -2.356 1.00 34.20 O ATOM 46 CG2 THR A 3 -5.262 3.471 -0.586 1.00 15.42 C ATOM 0 H THR A 3 -2.496 2.620 -2.696 1.00 15.52 H new ATOM 0 HA THR A 3 -4.394 1.256 -1.249 1.00 53.32 H new ATOM 0 HB THR A 3 -5.666 3.400 -2.680 1.00 3.35 H new ATOM 0 HG1 THR A 3 -4.066 5.054 -2.235 1.00 34.20 H new ATOM 0 HG21 THR A 3 -5.589 4.505 -0.478 1.00 15.42 H new ATOM 0 HG22 THR A 3 -6.088 2.802 -0.343 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.429 3.281 0.091 1.00 15.42 H new ATOM 54 N ILE A 4 -4.870 1.059 -4.466 1.00 72.43 N ATOM 55 CA ILE A 4 -5.663 0.424 -5.510 1.00 30.21 C ATOM 56 C ILE A 4 -5.836 -1.067 -5.239 1.00 53.51 C ATOM 57 O ILE A 4 -6.807 -1.681 -5.684 1.00 24.42 O ATOM 58 CB ILE A 4 -5.020 0.610 -6.897 1.00 52.35 C ATOM 59 CG1 ILE A 4 -3.644 -0.060 -6.940 1.00 64.31 C ATOM 60 CG2 ILE A 4 -4.905 2.089 -7.233 1.00 74.44 C ATOM 61 CD1 ILE A 4 -3.593 -1.277 -7.836 1.00 71.24 C ATOM 0 H ILE A 4 -3.999 1.478 -4.793 1.00 72.43 H new ATOM 0 HA ILE A 4 -6.639 0.908 -5.503 1.00 30.21 H new ATOM 0 HB ILE A 4 -5.658 0.136 -7.643 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -2.906 0.665 -7.283 1.00 64.31 H new ATOM 0 HG13 ILE A 4 -3.359 -0.351 -5.929 1.00 64.31 H new ATOM 0 HG21 ILE A 4 -4.449 2.204 -8.216 1.00 74.44 H new ATOM 0 HG22 ILE A 4 -5.898 2.539 -7.239 1.00 74.44 H new ATOM 0 HG23 ILE A 4 -4.286 2.585 -6.485 1.00 74.44 H new ATOM 0 HD11 ILE A 4 -2.589 -1.700 -7.818 1.00 71.24 H new ATOM 0 HD12 ILE A 4 -4.306 -2.021 -7.481 1.00 71.24 H new ATOM 0 HD13 ILE A 4 -3.847 -0.989 -8.856 1.00 71.24 H new ATOM 73 N LEU A 5 -4.891 -1.643 -4.505 1.00 20.13 N ATOM 74 CA LEU A 5 -4.940 -3.061 -4.171 1.00 54.31 C ATOM 75 C LEU A 5 -6.236 -3.407 -3.445 1.00 41.10 C ATOM 76 O LEU A 5 -6.885 -4.406 -3.754 1.00 54.45 O ATOM 77 CB LEU A 5 -3.739 -3.444 -3.304 1.00 10.23 C ATOM 78 CG LEU A 5 -2.361 -3.198 -3.920 1.00 63.13 C ATOM 79 CD1 LEU A 5 -1.277 -3.280 -2.856 1.00 21.10 C ATOM 80 CD2 LEU A 5 -2.091 -4.198 -5.036 1.00 23.34 C ATOM 0 H LEU A 5 -4.081 -1.149 -4.130 1.00 20.13 H new ATOM 0 HA LEU A 5 -4.904 -3.628 -5.101 1.00 54.31 H new ATOM 0 HB2 LEU A 5 -3.801 -2.889 -2.368 1.00 10.23 H new ATOM 0 HB3 LEU A 5 -3.819 -4.502 -3.054 1.00 10.23 H new ATOM 0 HG LEU A 5 -2.348 -2.194 -4.345 1.00 63.13 H new ATOM 0 HD11 LEU A 5 -0.304 -3.102 -3.314 1.00 21.10 H new ATOM 0 HD12 LEU A 5 -1.461 -2.526 -2.090 1.00 21.10 H new ATOM 0 HD13 LEU A 5 -1.288 -4.270 -2.401 1.00 21.10 H new ATOM 0 HD21 LEU A 5 -1.106 -4.009 -5.464 1.00 23.34 H new ATOM 0 HD22 LEU A 5 -2.123 -5.210 -4.633 1.00 23.34 H new ATOM 0 HD23 LEU A 5 -2.850 -4.092 -5.811 1.00 23.34 H new ATOM 92 N ARG A 6 -6.608 -2.572 -2.479 1.00 71.11 N ATOM 93 CA ARG A 6 -7.826 -2.788 -1.710 1.00 53.00 C ATOM 94 C ARG A 6 -9.037 -2.905 -2.631 1.00 15.40 C ATOM 95 O ARG A 6 -10.000 -3.608 -2.322 1.00 4.20 O ATOM 96 CB ARG A 6 -8.037 -1.645 -0.716 1.00 71.24 C ATOM 97 CG ARG A 6 -7.251 -1.806 0.574 1.00 71.42 C ATOM 98 CD ARG A 6 -7.658 -0.769 1.608 1.00 1.32 C ATOM 99 NE ARG A 6 -6.914 -0.917 2.855 1.00 13.11 N ATOM 100 CZ ARG A 6 -6.874 0.013 3.803 1.00 74.41 C ATOM 101 NH1 ARG A 6 -7.534 1.152 3.647 1.00 32.20 N1+ ATOM 102 NH2 ARG A 6 -6.174 -0.196 4.911 1.00 75.54 N ATOM 0 H ARG A 6 -6.082 -1.740 -2.211 1.00 71.11 H new ATOM 0 HA ARG A 6 -7.717 -3.723 -1.160 1.00 53.00 H new ATOM 0 HB2 ARG A 6 -7.752 -0.706 -1.190 1.00 71.24 H new ATOM 0 HB3 ARG A 6 -9.098 -1.573 -0.478 1.00 71.24 H new ATOM 0 HG2 ARG A 6 -7.412 -2.806 0.977 1.00 71.42 H new ATOM 0 HG3 ARG A 6 -6.185 -1.714 0.366 1.00 71.42 H new ATOM 0 HD2 ARG A 6 -7.493 0.230 1.204 1.00 1.32 H new ATOM 0 HD3 ARG A 6 -8.725 -0.858 1.810 1.00 1.32 H new ATOM 0 HE ARG A 6 -6.396 -1.782 3.007 1.00 13.11 H new ATOM 0 HH11 ARG A 6 -8.074 1.316 2.798 1.00 32.20 H new ATOM 0 HH12 ARG A 6 -7.502 1.864 4.376 1.00 32.20 H new ATOM 0 HH21 ARG A 6 -5.666 -1.072 5.036 1.00 75.54 H new ATOM 0 HH22 ARG A 6 -6.144 0.519 5.638 1.00 75.54 H new ATOM 116 N PHE A 7 -8.982 -2.212 -3.764 1.00 62.32 N ATOM 117 CA PHE A 7 -10.074 -2.237 -4.730 1.00 71.51 C ATOM 118 C PHE A 7 -10.101 -3.562 -5.487 1.00 5.41 C ATOM 119 O PHE A 7 -11.083 -4.301 -5.432 1.00 43.40 O ATOM 120 CB PHE A 7 -9.937 -1.076 -5.717 1.00 55.54 C ATOM 121 CG PHE A 7 -10.052 0.276 -5.072 1.00 32.55 C ATOM 122 CD1 PHE A 7 -8.986 0.814 -4.368 1.00 44.34 C ATOM 123 CD2 PHE A 7 -11.224 1.008 -5.169 1.00 73.45 C ATOM 124 CE1 PHE A 7 -9.091 2.057 -3.772 1.00 73.13 C ATOM 125 CE2 PHE A 7 -11.333 2.252 -4.577 1.00 34.04 C ATOM 126 CZ PHE A 7 -10.264 2.777 -3.878 1.00 22.42 C ATOM 0 H PHE A 7 -8.192 -1.626 -4.036 1.00 62.32 H new ATOM 0 HA PHE A 7 -11.011 -2.132 -4.183 1.00 71.51 H new ATOM 0 HB2 PHE A 7 -8.973 -1.149 -6.220 1.00 55.54 H new ATOM 0 HB3 PHE A 7 -10.705 -1.170 -6.485 1.00 55.54 H new ATOM 0 HD1 PHE A 7 -8.065 0.257 -4.284 1.00 44.34 H new ATOM 0 HD2 PHE A 7 -12.063 0.601 -5.714 1.00 73.45 H new ATOM 0 HE1 PHE A 7 -8.255 2.465 -3.223 1.00 73.13 H new ATOM 0 HE2 PHE A 7 -12.252 2.812 -4.661 1.00 34.04 H new ATOM 0 HZ PHE A 7 -10.346 3.749 -3.415 1.00 22.42 H new ATOM 136 N VAL A 8 -9.014 -3.854 -6.193 1.00 53.12 N ATOM 137 CA VAL A 8 -8.911 -5.090 -6.961 1.00 31.45 C ATOM 138 C VAL A 8 -9.097 -6.310 -6.067 1.00 55.51 C ATOM 139 O VAL A 8 -9.580 -7.351 -6.511 1.00 51.14 O ATOM 140 CB VAL A 8 -7.552 -5.194 -7.678 1.00 31.42 C ATOM 141 CG1 VAL A 8 -6.430 -5.390 -6.668 1.00 45.34 C ATOM 142 CG2 VAL A 8 -7.571 -6.328 -8.692 1.00 55.23 C ATOM 0 H VAL A 8 -8.192 -3.252 -6.250 1.00 53.12 H new ATOM 0 HA VAL A 8 -9.705 -5.066 -7.707 1.00 31.45 H new ATOM 0 HB VAL A 8 -7.370 -4.262 -8.213 1.00 31.42 H new ATOM 0 HG11 VAL A 8 -5.477 -5.461 -7.192 1.00 45.34 H new ATOM 0 HG12 VAL A 8 -6.405 -4.542 -5.983 1.00 45.34 H new ATOM 0 HG13 VAL A 8 -6.604 -6.307 -6.104 1.00 45.34 H new ATOM 0 HG21 VAL A 8 -6.603 -6.387 -9.190 1.00 55.23 H new ATOM 0 HG22 VAL A 8 -7.775 -7.269 -8.181 1.00 55.23 H new ATOM 0 HG23 VAL A 8 -8.349 -6.141 -9.433 1.00 55.23 H new ATOM 152 N ALA A 9 -8.711 -6.174 -4.802 1.00 65.43 N ATOM 153 CA ALA A 9 -8.838 -7.265 -3.843 1.00 41.13 C ATOM 154 C ALA A 9 -10.281 -7.749 -3.750 1.00 25.11 C ATOM 155 O ALA A 9 -10.539 -8.891 -3.371 1.00 71.55 O ATOM 156 CB ALA A 9 -8.335 -6.826 -2.476 1.00 42.33 C ATOM 0 H ALA A 9 -8.308 -5.319 -4.418 1.00 65.43 H new ATOM 0 HA ALA A 9 -8.227 -8.097 -4.192 1.00 41.13 H new ATOM 0 HB1 ALA A 9 -8.436 -7.650 -1.770 1.00 42.33 H new ATOM 0 HB2 ALA A 9 -7.287 -6.537 -2.550 1.00 42.33 H new ATOM 0 HB3 ALA A 9 -8.922 -5.976 -2.128 1.00 42.33 H new ATOM 162 N GLY A 10 -11.218 -6.872 -4.095 1.00 61.41 N ATOM 163 CA GLY A 10 -12.624 -7.229 -4.043 1.00 25.11 C ATOM 164 C GLY A 10 -13.094 -7.920 -5.306 1.00 3.31 C ATOM 165 O GLY A 10 -13.927 -8.825 -5.254 1.00 52.42 O ATOM 0 H GLY A 10 -11.029 -5.920 -4.410 1.00 61.41 H new ATOM 0 HA2 GLY A 10 -12.798 -7.883 -3.189 1.00 25.11 H new ATOM 0 HA3 GLY A 10 -13.218 -6.329 -3.882 1.00 25.11 H new ATOM 169 N TYR A 11 -12.563 -7.491 -6.446 1.00 42.22 N ATOM 170 CA TYR A 11 -12.938 -8.072 -7.730 1.00 72.35 C ATOM 171 C TYR A 11 -12.753 -9.586 -7.718 1.00 14.31 C ATOM 172 O TYR A 11 -13.639 -10.335 -8.128 1.00 43.11 O ATOM 173 CB TYR A 11 -12.106 -7.454 -8.855 1.00 61.03 C ATOM 174 CG TYR A 11 -12.330 -8.104 -10.201 1.00 21.33 C ATOM 175 CD1 TYR A 11 -13.610 -8.428 -10.635 1.00 43.03 C ATOM 176 CD2 TYR A 11 -11.261 -8.399 -11.039 1.00 33.13 C ATOM 177 CE1 TYR A 11 -13.819 -9.024 -11.864 1.00 4.31 C ATOM 178 CE2 TYR A 11 -11.461 -8.994 -12.270 1.00 14.35 C ATOM 179 CZ TYR A 11 -12.742 -9.304 -12.677 1.00 64.34 C ATOM 180 OH TYR A 11 -12.945 -9.897 -13.903 1.00 61.13 O ATOM 0 H TYR A 11 -11.872 -6.743 -6.507 1.00 42.22 H new ATOM 0 HA TYR A 11 -13.992 -7.855 -7.905 1.00 72.35 H new ATOM 0 HB2 TYR A 11 -12.343 -6.393 -8.930 1.00 61.03 H new ATOM 0 HB3 TYR A 11 -11.050 -7.528 -8.597 1.00 61.03 H new ATOM 0 HD1 TYR A 11 -14.456 -8.210 -10.000 1.00 43.03 H new ATOM 0 HD2 TYR A 11 -10.257 -8.159 -10.723 1.00 33.13 H new ATOM 0 HE1 TYR A 11 -14.820 -9.269 -12.186 1.00 4.31 H new ATOM 0 HE2 TYR A 11 -10.619 -9.215 -12.910 1.00 14.35 H new ATOM 0 HH TYR A 11 -12.083 -10.025 -14.351 1.00 61.13 H new ATOM 190 N ASP A 12 -11.594 -10.029 -7.243 1.00 65.02 N ATOM 191 CA ASP A 12 -11.290 -11.454 -7.175 1.00 75.54 C ATOM 192 C ASP A 12 -12.347 -12.196 -6.363 1.00 41.32 C ATOM 193 O ASP A 12 -12.605 -13.378 -6.595 1.00 63.40 O ATOM 194 CB ASP A 12 -9.909 -11.674 -6.558 1.00 50.20 C ATOM 195 CG ASP A 12 -9.266 -12.966 -7.022 1.00 64.33 C ATOM 196 OD1 ASP A 12 -9.948 -14.011 -6.994 1.00 71.04 O1- ATOM 197 OD2 ASP A 12 -8.080 -12.933 -7.413 1.00 0.04 O ATOM 0 H ASP A 12 -10.850 -9.422 -6.899 1.00 65.02 H new ATOM 0 HA ASP A 12 -11.293 -11.850 -8.191 1.00 75.54 H new ATOM 0 HB2 ASP A 12 -9.261 -10.836 -6.816 1.00 50.20 H new ATOM 0 HB3 ASP A 12 -9.997 -11.685 -5.472 1.00 50.20 H new ATOM 202 N ILE A 13 -12.956 -11.495 -5.411 1.00 22.04 N ATOM 203 CA ILE A 13 -13.984 -12.089 -4.566 1.00 12.43 C ATOM 204 C ILE A 13 -15.357 -11.997 -5.224 1.00 51.45 C ATOM 205 O ILE A 13 -16.215 -12.853 -5.014 1.00 22.14 O ATOM 206 CB ILE A 13 -14.043 -11.406 -3.187 1.00 42.50 C ATOM 207 CG1 ILE A 13 -12.642 -11.322 -2.576 1.00 34.34 C ATOM 208 CG2 ILE A 13 -14.986 -12.160 -2.262 1.00 53.52 C ATOM 209 CD1 ILE A 13 -11.988 -12.671 -2.377 1.00 32.12 C ATOM 0 H ILE A 13 -12.755 -10.516 -5.206 1.00 22.04 H new ATOM 0 HA ILE A 13 -13.716 -13.137 -4.433 1.00 12.43 H new ATOM 0 HB ILE A 13 -14.425 -10.393 -3.315 1.00 42.50 H new ATOM 0 HG12 ILE A 13 -12.009 -10.712 -3.221 1.00 34.34 H new ATOM 0 HG13 ILE A 13 -12.704 -10.812 -1.615 1.00 34.34 H new ATOM 0 HG21 ILE A 13 -15.017 -11.665 -1.291 1.00 53.52 H new ATOM 0 HG22 ILE A 13 -15.986 -12.173 -2.694 1.00 53.52 H new ATOM 0 HG23 ILE A 13 -14.632 -13.183 -2.136 1.00 53.52 H new ATOM 0 HD11 ILE A 13 -10.998 -12.535 -1.941 1.00 32.12 H new ATOM 0 HD12 ILE A 13 -12.599 -13.277 -1.708 1.00 32.12 H new ATOM 0 HD13 ILE A 13 -11.894 -13.175 -3.339 1.00 32.12 H new ATOM 221 N ALA A 14 -15.556 -10.955 -6.024 1.00 52.22 N ATOM 222 CA ALA A 14 -16.822 -10.753 -6.716 1.00 55.53 C ATOM 223 C ALA A 14 -16.991 -11.755 -7.853 1.00 42.14 C ATOM 224 O ALA A 14 -18.112 -12.101 -8.227 1.00 70.44 O ATOM 225 CB ALA A 14 -16.913 -9.330 -7.247 1.00 43.50 C ATOM 0 H ALA A 14 -14.855 -10.237 -6.209 1.00 52.22 H new ATOM 0 HA ALA A 14 -17.628 -10.914 -6.001 1.00 55.53 H new ATOM 0 HB1 ALA A 14 -17.864 -9.194 -7.762 1.00 43.50 H new ATOM 0 HB2 ALA A 14 -16.846 -8.627 -6.417 1.00 43.50 H new ATOM 0 HB3 ALA A 14 -16.094 -9.149 -7.943 1.00 43.50 H new ATOM 231 N SER A 15 -15.872 -12.218 -8.400 1.00 12.33 N ATOM 232 CA SER A 15 -15.897 -13.178 -9.497 1.00 20.03 C ATOM 233 C SER A 15 -16.657 -14.439 -9.099 1.00 21.21 C ATOM 234 O SER A 15 -17.293 -15.085 -9.933 1.00 23.43 O ATOM 235 CB SER A 15 -14.472 -13.541 -9.919 1.00 21.01 C ATOM 236 OG SER A 15 -14.305 -13.406 -11.320 1.00 30.13 O ATOM 0 H SER A 15 -14.936 -11.944 -8.101 1.00 12.33 H new ATOM 0 HA SER A 15 -16.411 -12.715 -10.339 1.00 20.03 H new ATOM 0 HB2 SER A 15 -13.761 -12.897 -9.401 1.00 21.01 H new ATOM 0 HB3 SER A 15 -14.251 -14.566 -9.620 1.00 21.01 H new ATOM 0 HG SER A 15 -13.386 -13.642 -11.564 1.00 30.13 H new ATOM 242 N HIS A 16 -16.587 -14.785 -7.817 1.00 53.24 N ATOM 243 CA HIS A 16 -17.269 -15.969 -7.306 1.00 35.24 C ATOM 244 C HIS A 16 -18.654 -15.611 -6.775 1.00 4.32 C ATOM 245 O HIS A 16 -19.597 -16.393 -6.892 1.00 21.51 O ATOM 246 CB HIS A 16 -16.440 -16.624 -6.201 1.00 4.42 C ATOM 247 CG HIS A 16 -15.495 -17.672 -6.703 1.00 62.13 C ATOM 248 ND1 HIS A 16 -15.854 -18.994 -6.865 1.00 61.22 N ATOM 249 CD2 HIS A 16 -14.198 -17.587 -7.081 1.00 31.25 C ATOM 250 CE1 HIS A 16 -14.817 -19.676 -7.320 1.00 21.44 C ATOM 251 NE2 HIS A 16 -13.801 -18.845 -7.460 1.00 3.45 N ATOM 0 H HIS A 16 -16.065 -14.262 -7.113 1.00 53.24 H new ATOM 0 HA HIS A 16 -17.386 -16.674 -8.129 1.00 35.24 H new ATOM 0 HB2 HIS A 16 -15.872 -15.854 -5.679 1.00 4.42 H new ATOM 0 HB3 HIS A 16 -17.113 -17.073 -5.471 1.00 4.42 H new ATOM 0 HD2 HIS A 16 -13.589 -16.695 -7.084 1.00 31.25 H new ATOM 0 HE1 HIS A 16 -14.803 -20.733 -7.540 1.00 21.44 H new ATOM 0 HE2 HIS A 16 -12.871 -19.097 -7.796 1.00 3.45 H new ATOM 259 N LYS A 17 -18.769 -14.425 -6.188 1.00 61.21 N ATOM 260 CA LYS A 17 -20.037 -13.962 -5.639 1.00 22.12 C ATOM 261 C LYS A 17 -21.136 -14.001 -6.698 1.00 0.25 C ATOM 262 O LYS A 17 -22.258 -14.429 -6.427 1.00 10.32 O ATOM 263 CB LYS A 17 -19.893 -12.539 -5.094 1.00 44.13 C ATOM 264 CG LYS A 17 -21.189 -11.959 -4.556 1.00 25.14 C ATOM 265 CD LYS A 17 -21.606 -12.631 -3.259 1.00 21.12 C ATOM 266 CE LYS A 17 -23.102 -12.907 -3.230 1.00 41.30 C ATOM 267 NZ LYS A 17 -23.491 -13.724 -2.048 1.00 5.43 N1+ ATOM 0 H LYS A 17 -17.998 -13.766 -6.080 1.00 61.21 H new ATOM 0 HA LYS A 17 -20.316 -14.631 -4.825 1.00 22.12 H new ATOM 0 HB2 LYS A 17 -19.147 -12.537 -4.300 1.00 44.13 H new ATOM 0 HB3 LYS A 17 -19.517 -11.892 -5.886 1.00 44.13 H new ATOM 0 HG2 LYS A 17 -21.068 -10.889 -4.389 1.00 25.14 H new ATOM 0 HG3 LYS A 17 -21.978 -12.079 -5.299 1.00 25.14 H new ATOM 0 HD2 LYS A 17 -21.060 -13.567 -3.141 1.00 21.12 H new ATOM 0 HD3 LYS A 17 -21.336 -11.996 -2.416 1.00 21.12 H new ATOM 0 HE2 LYS A 17 -23.646 -11.962 -3.214 1.00 41.30 H new ATOM 0 HE3 LYS A 17 -23.393 -13.427 -4.143 1.00 41.30 H new ATOM 0 HZ1 LYS A 17 -24.517 -13.891 -2.064 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 -22.992 -14.636 -2.077 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 -23.236 -13.217 -1.176 1.00 5.43 H new ATOM 281 N LYS A 18 -20.805 -13.554 -7.903 1.00 52.14 N ATOM 282 CA LYS A 18 -21.761 -13.540 -9.004 1.00 54.44 C ATOM 283 C LYS A 18 -21.043 -13.534 -10.350 1.00 32.34 C ATOM 284 O LYS A 18 -20.145 -12.724 -10.583 1.00 34.21 O ATOM 285 CB LYS A 18 -22.677 -12.318 -8.897 1.00 42.22 C ATOM 286 CG LYS A 18 -24.047 -12.528 -9.517 1.00 44.35 C ATOM 287 CD LYS A 18 -25.044 -13.055 -8.498 1.00 64.32 C ATOM 288 CE LYS A 18 -26.025 -14.029 -9.132 1.00 31.44 C ATOM 289 NZ LYS A 18 -25.543 -15.435 -9.050 1.00 32.22 N1+ ATOM 0 H LYS A 18 -19.881 -13.196 -8.143 1.00 52.14 H new ATOM 0 HA LYS A 18 -22.364 -14.446 -8.938 1.00 54.44 H new ATOM 0 HB2 LYS A 18 -22.799 -12.057 -7.846 1.00 42.22 H new ATOM 0 HB3 LYS A 18 -22.194 -11.469 -9.382 1.00 42.22 H new ATOM 0 HG2 LYS A 18 -24.409 -11.586 -9.929 1.00 44.35 H new ATOM 0 HG3 LYS A 18 -23.968 -13.230 -10.347 1.00 44.35 H new ATOM 0 HD2 LYS A 18 -24.510 -13.551 -7.687 1.00 64.32 H new ATOM 0 HD3 LYS A 18 -25.591 -12.221 -8.057 1.00 64.32 H new ATOM 0 HE2 LYS A 18 -26.991 -13.947 -8.634 1.00 31.44 H new ATOM 0 HE3 LYS A 18 -26.181 -13.759 -10.176 1.00 31.44 H new ATOM 0 HZ1 LYS A 18 -26.240 -16.067 -9.493 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 -24.633 -15.520 -9.547 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 -25.419 -15.702 -8.053 1.00 32.22 H new ATOM 303 N LYS A 19 -21.444 -14.442 -11.233 1.00 12.44 N ATOM 304 CA LYS A 19 -20.840 -14.540 -12.558 1.00 30.35 C ATOM 305 C LYS A 19 -21.763 -13.952 -13.621 1.00 22.33 C ATOM 306 O LYS A 19 -21.345 -13.706 -14.753 1.00 13.24 O ATOM 307 CB LYS A 19 -20.526 -16.001 -12.890 1.00 52.34 C ATOM 308 CG LYS A 19 -19.628 -16.169 -14.103 1.00 43.25 C ATOM 309 CD LYS A 19 -20.397 -16.707 -15.297 1.00 35.41 C ATOM 310 CE LYS A 19 -20.707 -18.188 -15.139 1.00 22.10 C ATOM 311 NZ LYS A 19 -21.361 -18.751 -16.352 1.00 2.42 N1+ ATOM 0 H LYS A 19 -22.184 -15.121 -11.056 1.00 12.44 H new ATOM 0 HA LYS A 19 -19.912 -13.968 -12.551 1.00 30.35 H new ATOM 0 HB2 LYS A 19 -20.049 -16.466 -12.028 1.00 52.34 H new ATOM 0 HB3 LYS A 19 -21.461 -16.534 -13.063 1.00 52.34 H new ATOM 0 HG2 LYS A 19 -19.180 -15.209 -14.360 1.00 43.25 H new ATOM 0 HG3 LYS A 19 -18.810 -16.848 -13.860 1.00 43.25 H new ATOM 0 HD2 LYS A 19 -21.327 -16.150 -15.413 1.00 35.41 H new ATOM 0 HD3 LYS A 19 -19.816 -16.551 -16.206 1.00 35.41 H new ATOM 0 HE2 LYS A 19 -19.784 -18.733 -14.938 1.00 22.10 H new ATOM 0 HE3 LYS A 19 -21.357 -18.333 -14.276 1.00 22.10 H new ATOM 0 HZ1 LYS A 19 -21.556 -19.762 -16.204 1.00 2.42 H new ATOM 0 HZ2 LYS A 19 -22.254 -18.249 -16.530 1.00 2.42 H new ATOM 0 HZ3 LYS A 19 -20.731 -18.636 -17.171 1.00 2.42 H new ATOM 325 N THR A 20 -23.019 -13.727 -13.249 1.00 74.11 N ATOM 326 CA THR A 20 -24.000 -13.167 -14.170 1.00 2.32 C ATOM 327 C THR A 20 -24.589 -11.871 -13.625 1.00 43.42 C ATOM 328 O THR A 20 -25.724 -11.845 -13.151 1.00 50.52 O ATOM 329 CB THR A 20 -25.143 -14.161 -14.445 1.00 75.53 C ATOM 330 OG1 THR A 20 -25.840 -14.456 -13.229 1.00 14.51 O ATOM 331 CG2 THR A 20 -24.606 -15.450 -15.053 1.00 11.21 C ATOM 0 H THR A 20 -23.381 -13.924 -12.316 1.00 74.11 H new ATOM 0 HA THR A 20 -23.476 -12.960 -15.103 1.00 2.32 H new ATOM 0 HB THR A 20 -25.831 -13.701 -15.155 1.00 75.53 H new ATOM 0 HG1 THR A 20 -26.063 -13.620 -12.768 1.00 14.51 H new ATOM 0 HG21 THR A 20 -25.432 -16.137 -15.238 1.00 11.21 H new ATOM 0 HG22 THR A 20 -24.102 -15.226 -15.993 1.00 11.21 H new ATOM 0 HG23 THR A 20 -23.899 -15.911 -14.363 1.00 11.21 H new ATOM 339 N GLY A 21 -23.810 -10.796 -13.697 1.00 32.30 N ATOM 340 CA GLY A 21 -24.273 -9.510 -13.208 1.00 50.33 C ATOM 341 C GLY A 21 -24.697 -8.582 -14.328 1.00 2.24 C ATOM 342 O GLY A 21 -24.710 -7.363 -14.162 1.00 35.14 O ATOM 0 H GLY A 21 -22.867 -10.793 -14.085 1.00 32.30 H new ATOM 0 HA2 GLY A 21 -25.113 -9.664 -12.530 1.00 50.33 H new ATOM 0 HA3 GLY A 21 -23.479 -9.037 -12.630 1.00 50.33 H new ATOM 346 N GLY A 22 -25.043 -9.159 -15.475 1.00 31.51 N ATOM 347 CA GLY A 22 -25.463 -8.360 -16.611 1.00 45.51 C ATOM 348 C GLY A 22 -25.492 -9.156 -17.901 1.00 10.31 C ATOM 349 O GLY A 22 -26.486 -9.815 -18.209 1.00 73.31 O ATOM 0 H GLY A 22 -25.040 -10.166 -15.637 1.00 31.51 H new ATOM 0 HA2 GLY A 22 -26.455 -7.952 -16.417 1.00 45.51 H new ATOM 0 HA3 GLY A 22 -24.787 -7.513 -16.725 1.00 45.51 H new ATOM 353 N TYR A 23 -24.403 -9.095 -18.658 1.00 71.54 N ATOM 354 CA TYR A 23 -24.311 -9.813 -19.923 1.00 55.03 C ATOM 355 C TYR A 23 -23.068 -10.699 -19.958 1.00 51.04 C ATOM 356 O TYR A 23 -22.087 -10.462 -19.253 1.00 40.24 O ATOM 357 CB TYR A 23 -24.279 -8.826 -21.092 1.00 51.42 C ATOM 358 CG TYR A 23 -25.428 -7.842 -21.084 1.00 14.11 C ATOM 359 CD1 TYR A 23 -25.391 -6.709 -20.279 1.00 54.44 C ATOM 360 CD2 TYR A 23 -26.547 -8.044 -21.880 1.00 31.13 C ATOM 361 CE1 TYR A 23 -26.437 -5.808 -20.268 1.00 73.33 C ATOM 362 CE2 TYR A 23 -27.598 -7.147 -21.877 1.00 4.11 C ATOM 363 CZ TYR A 23 -27.538 -6.030 -21.069 1.00 61.03 C ATOM 364 OH TYR A 23 -28.583 -5.136 -21.062 1.00 22.01 O ATOM 0 H TYR A 23 -23.571 -8.556 -18.418 1.00 71.54 H new ATOM 0 HA TYR A 23 -25.192 -10.449 -20.016 1.00 55.03 H new ATOM 0 HB2 TYR A 23 -23.339 -8.275 -21.066 1.00 51.42 H new ATOM 0 HB3 TYR A 23 -24.295 -9.384 -22.028 1.00 51.42 H new ATOM 0 HD1 TYR A 23 -24.530 -6.531 -19.652 1.00 54.44 H new ATOM 0 HD2 TYR A 23 -26.597 -8.918 -22.513 1.00 31.13 H new ATOM 0 HE1 TYR A 23 -26.394 -4.934 -19.635 1.00 73.33 H new ATOM 0 HE2 TYR A 23 -28.461 -7.319 -22.503 1.00 4.11 H new ATOM 0 HH TYR A 23 -29.278 -5.440 -21.683 1.00 22.01 H new ATOM 374 N PRO A 24 -23.112 -11.743 -20.798 1.00 64.11 N ATOM 375 CA PRO A 24 -21.998 -12.685 -20.947 1.00 61.32 C ATOM 376 C PRO A 24 -20.793 -12.055 -21.636 1.00 73.43 C ATOM 377 O PRO A 24 -19.654 -12.468 -21.416 1.00 43.22 O ATOM 378 CB PRO A 24 -22.590 -13.799 -21.815 1.00 74.10 C ATOM 379 CG PRO A 24 -23.688 -13.141 -22.578 1.00 61.12 C ATOM 380 CD PRO A 24 -24.250 -12.084 -21.667 1.00 71.12 C ATOM 0 HA PRO A 24 -21.624 -13.030 -19.983 1.00 61.32 H new ATOM 0 HB2 PRO A 24 -21.840 -14.220 -22.484 1.00 74.10 H new ATOM 0 HB3 PRO A 24 -22.968 -14.618 -21.204 1.00 74.10 H new ATOM 0 HG2 PRO A 24 -23.312 -12.701 -23.501 1.00 61.12 H new ATOM 0 HG3 PRO A 24 -24.455 -13.863 -22.858 1.00 61.12 H new ATOM 0 HD2 PRO A 24 -24.602 -11.217 -22.226 1.00 71.12 H new ATOM 0 HD3 PRO A 24 -25.097 -12.458 -21.092 1.00 71.12 H new ATOM 388 N TRP A 25 -21.052 -11.054 -22.469 1.00 72.25 N ATOM 389 CA TRP A 25 -19.987 -10.366 -23.191 1.00 30.04 C ATOM 390 C TRP A 25 -19.882 -8.910 -22.751 1.00 53.24 C ATOM 391 O TRP A 25 -18.802 -8.322 -22.774 1.00 23.21 O ATOM 392 CB TRP A 25 -20.235 -10.439 -24.699 1.00 34.53 C ATOM 393 CG TRP A 25 -21.007 -9.270 -25.231 1.00 21.43 C ATOM 394 CD1 TRP A 25 -20.507 -8.209 -25.931 1.00 33.43 C ATOM 395 CD2 TRP A 25 -22.415 -9.043 -25.105 1.00 71.34 C ATOM 396 NE1 TRP A 25 -21.520 -7.335 -26.247 1.00 42.31 N ATOM 397 CE2 TRP A 25 -22.700 -7.825 -25.752 1.00 15.21 C ATOM 398 CE3 TRP A 25 -23.462 -9.751 -24.509 1.00 51.50 C ATOM 399 CZ2 TRP A 25 -23.988 -7.301 -25.819 1.00 14.54 C ATOM 400 CZ3 TRP A 25 -24.741 -9.230 -24.576 1.00 43.32 C ATOM 401 CH2 TRP A 25 -24.995 -8.016 -25.228 1.00 1.43 C ATOM 0 H TRP A 25 -21.989 -10.700 -22.662 1.00 72.25 H new ATOM 0 HA TRP A 25 -19.046 -10.864 -22.960 1.00 30.04 H new ATOM 0 HB2 TRP A 25 -19.277 -10.498 -25.215 1.00 34.53 H new ATOM 0 HB3 TRP A 25 -20.777 -11.357 -24.927 1.00 34.53 H new ATOM 0 HD1 TRP A 25 -19.469 -8.076 -26.197 1.00 33.43 H new ATOM 0 HE1 TRP A 25 -21.411 -6.463 -26.766 1.00 42.31 H new ATOM 0 HE3 TRP A 25 -23.276 -10.688 -24.005 1.00 51.50 H new ATOM 0 HZ2 TRP A 25 -24.186 -6.364 -26.319 1.00 14.54 H new ATOM 0 HZ3 TRP A 25 -25.558 -9.768 -24.118 1.00 43.32 H new ATOM 0 HH2 TRP A 25 -26.006 -7.637 -25.265 1.00 1.43 H new ATOM 412 N GLU A 26 -21.013 -8.336 -22.350 1.00 72.34 N ATOM 413 CA GLU A 26 -21.046 -6.947 -21.904 1.00 31.52 C ATOM 414 C GLU A 26 -21.071 -6.865 -20.381 1.00 33.20 C ATOM 415 O GLU A 26 -22.138 -6.787 -19.771 1.00 21.44 O ATOM 416 CB GLU A 26 -22.268 -6.232 -22.486 1.00 44.33 C ATOM 417 CG GLU A 26 -21.919 -5.185 -23.531 1.00 60.34 C ATOM 418 CD GLU A 26 -22.511 -3.825 -23.214 1.00 44.43 C ATOM 419 OE1 GLU A 26 -21.868 -3.057 -22.468 1.00 4.41 O1- ATOM 420 OE2 GLU A 26 -23.617 -3.529 -23.712 1.00 23.22 O ATOM 0 H GLU A 26 -21.916 -8.810 -22.325 1.00 72.34 H new ATOM 0 HA GLU A 26 -20.141 -6.455 -22.261 1.00 31.52 H new ATOM 0 HB2 GLU A 26 -22.933 -6.971 -22.932 1.00 44.33 H new ATOM 0 HB3 GLU A 26 -22.820 -5.755 -21.676 1.00 44.33 H new ATOM 0 HG2 GLU A 26 -20.835 -5.097 -23.604 1.00 60.34 H new ATOM 0 HG3 GLU A 26 -22.279 -5.516 -24.505 1.00 60.34 H new ATOM 427 N ARG A 27 -19.890 -6.884 -19.774 1.00 44.35 N ATOM 428 CA ARG A 27 -19.776 -6.813 -18.322 1.00 14.45 C ATOM 429 C ARG A 27 -20.198 -5.439 -17.809 1.00 63.40 C ATOM 430 O ARG A 27 -20.656 -5.301 -16.676 1.00 51.24 O ATOM 431 CB ARG A 27 -18.340 -7.113 -17.887 1.00 64.51 C ATOM 432 CG ARG A 27 -18.208 -7.440 -16.408 1.00 64.01 C ATOM 433 CD ARG A 27 -17.815 -6.215 -15.599 1.00 33.30 C ATOM 434 NE ARG A 27 -18.840 -5.853 -14.622 1.00 54.14 N ATOM 435 CZ ARG A 27 -18.977 -6.453 -13.446 1.00 4.33 C ATOM 436 NH1 ARG A 27 -18.161 -7.439 -13.100 1.00 45.03 N1+ ATOM 437 NH2 ARG A 27 -19.934 -6.067 -12.611 1.00 42.52 N ATOM 0 H ARG A 27 -18.998 -6.948 -20.265 1.00 44.35 H new ATOM 0 HA ARG A 27 -20.443 -7.561 -17.893 1.00 14.45 H new ATOM 0 HB2 ARG A 27 -17.960 -7.951 -18.471 1.00 64.51 H new ATOM 0 HB3 ARG A 27 -17.712 -6.253 -18.118 1.00 64.51 H new ATOM 0 HG2 ARG A 27 -19.153 -7.835 -16.036 1.00 64.01 H new ATOM 0 HG3 ARG A 27 -17.461 -8.222 -16.273 1.00 64.01 H new ATOM 0 HD2 ARG A 27 -16.874 -6.408 -15.083 1.00 33.30 H new ATOM 0 HD3 ARG A 27 -17.643 -5.375 -16.273 1.00 33.30 H new ATOM 0 HE ARG A 27 -19.485 -5.098 -14.857 1.00 54.14 H new ATOM 0 HH11 ARG A 27 -17.424 -7.739 -13.739 1.00 45.03 H new ATOM 0 HH12 ARG A 27 -18.270 -7.897 -12.195 1.00 45.03 H new ATOM 0 HH21 ARG A 27 -20.564 -5.309 -12.873 1.00 42.52 H new ATOM 0 HH22 ARG A 27 -20.039 -6.528 -11.707 1.00 42.52 H new ATOM 451 N GLY A 28 -20.040 -4.424 -18.653 1.00 65.44 N ATOM 452 CA GLY A 28 -20.408 -3.074 -18.268 1.00 65.51 C ATOM 453 C GLY A 28 -19.603 -2.021 -19.003 1.00 63.23 C ATOM 454 O GLY A 28 -18.376 -2.096 -19.063 1.00 64.12 O ATOM 0 H GLY A 28 -19.664 -4.513 -19.597 1.00 65.44 H new ATOM 0 HA2 GLY A 28 -21.469 -2.920 -18.466 1.00 65.51 H new ATOM 0 HA3 GLY A 28 -20.263 -2.954 -17.194 1.00 65.51 H new ATOM 458 N LYS A 29 -20.295 -1.036 -19.566 1.00 32.43 N ATOM 459 CA LYS A 29 -19.638 0.037 -20.303 1.00 50.03 C ATOM 460 C LYS A 29 -19.796 1.370 -19.577 1.00 32.31 C ATOM 461 O LYS A 29 -18.898 2.211 -19.603 1.00 52.13 O ATOM 462 CB LYS A 29 -20.216 0.142 -21.716 1.00 52.24 C ATOM 463 CG LYS A 29 -21.725 0.310 -21.745 1.00 1.10 C ATOM 464 CD LYS A 29 -22.255 0.341 -23.169 1.00 42.12 C ATOM 465 CE LYS A 29 -22.477 1.768 -23.650 1.00 31.11 C ATOM 466 NZ LYS A 29 -23.715 2.360 -23.074 1.00 23.05 N1+ ATOM 0 H LYS A 29 -21.311 -0.959 -19.526 1.00 32.43 H new ATOM 0 HA LYS A 29 -18.576 -0.198 -20.369 1.00 50.03 H new ATOM 0 HB2 LYS A 29 -19.755 0.988 -22.226 1.00 52.24 H new ATOM 0 HB3 LYS A 29 -19.948 -0.753 -22.277 1.00 52.24 H new ATOM 0 HG2 LYS A 29 -22.194 -0.509 -21.199 1.00 1.10 H new ATOM 0 HG3 LYS A 29 -21.999 1.233 -21.233 1.00 1.10 H new ATOM 0 HD2 LYS A 29 -21.551 -0.162 -23.832 1.00 42.12 H new ATOM 0 HD3 LYS A 29 -23.193 -0.212 -23.222 1.00 42.12 H new ATOM 0 HE2 LYS A 29 -21.619 2.382 -23.375 1.00 31.11 H new ATOM 0 HE3 LYS A 29 -22.541 1.779 -24.738 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 -23.840 3.326 -23.439 1.00 23.05 H new ATOM 0 HZ2 LYS A 29 -24.535 1.779 -23.343 1.00 23.05 H new ATOM 0 HZ3 LYS A 29 -23.636 2.389 -22.037 1.00 23.05 H new ATOM 480 N ALA A 30 -20.943 1.555 -18.932 1.00 52.51 N ATOM 481 CA ALA A 30 -21.216 2.784 -18.197 1.00 34.32 C ATOM 482 C ALA A 30 -22.152 2.523 -17.021 1.00 4.04 C ATOM 483 O ALA A 30 -23.370 2.658 -17.142 1.00 72.01 O ATOM 484 CB ALA A 30 -21.812 3.832 -19.125 1.00 45.32 C ATOM 0 H ALA A 30 -21.698 0.870 -18.903 1.00 52.51 H new ATOM 0 HA ALA A 30 -20.272 3.159 -17.801 1.00 34.32 H new ATOM 0 HB1 ALA A 30 -22.011 4.745 -18.563 1.00 45.32 H new ATOM 0 HB2 ALA A 30 -21.109 4.047 -19.930 1.00 45.32 H new ATOM 0 HB3 ALA A 30 -22.744 3.456 -19.548 1.00 45.32 H new TER 490 ALA A 30